----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:02:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.765460630628290 0.000000000000000 0.000000000000000 b 0.000000000000000 5.439058110000000 0.000000000000000 c -5.505738789162446 0.000000000000000 10.456850611676021 Atomic positions (fractional): *1 F 0.29499790768194 0.56300146923628 0.91343398219888 18.998 2 F 0.70500209231806 0.06300146923628 0.58656601780112 18.998 3 F 0.70500209231806 0.43699853076372 0.08656601780112 18.998 4 F 0.29499790768194 0.93699853076372 0.41343398219888 18.998 *5 F 0.72274781269007 0.56159564356610 0.54235137768116 18.998 6 F 0.27725218730993 0.06159564356610 0.95764862231884 18.998 7 F 0.27725218730993 0.43840435643390 0.45764862231884 18.998 8 F 0.72274781269007 0.93840435643390 0.04235137768116 18.998 *9 F 0.47855695859492 0.22740803057725 0.85925626583810 18.998 10 F 0.52144304140508 0.72740803057725 0.64074373416190 18.998 11 F 0.52144304140508 0.77259196942275 0.14074373416190 18.998 12 F 0.47855695859492 0.27259196942275 0.35925626583810 18.998 *13 F 0.97788878104445 0.24584702694406 0.05103707701056 18.998 14 F 0.02211121895555 0.74584702694406 0.44896292298944 18.998 15 F 0.02211121895555 0.75415297305594 0.94896292298944 18.998 16 F 0.97788878104445 0.25415297305594 0.55103707701056 18.998 *17 F 0.27517118565467 0.03891728915545 0.63492694772452 18.998 18 F 0.72482881434533 0.53891728915545 0.86507305227548 18.998 19 F 0.72482881434533 0.96108271084455 0.36507305227548 18.998 20 F 0.27517118565467 0.46108271084455 0.13492694772452 18.998 *21 F 0.25494237298827 0.94555422948560 0.17577373067866 18.998 22 F 0.74505762701173 0.44555422948560 0.32422626932135 18.998 23 F 0.74505762701173 0.05444577051440 0.82422626932135 18.998 24 F 0.25494237298827 0.55444577051440 0.67577373067865 18.998 *25 F 0.03296135140268 0.59106779140241 0.23215307359368 18.998 26 F 0.96703864859732 0.09106779140241 0.26784692640632 18.998 27 F 0.96703864859732 0.40893220859759 0.76784692640632 18.998 28 F 0.03296135140268 0.90893220859759 0.73215307359368 18.998 *29 Dy 0.18625463961363 0.23934437607119 0.76420898660321 162.500 30 Dy 0.81374536038637 0.73934437607119 0.73579101339679 162.500 31 Dy 0.81374536038637 0.76065562392881 0.23579101339679 162.500 32 Dy 0.18625463961363 0.26065562392881 0.26420898660321 162.500 *33 Pt 0.72814401685608 0.24257370498371 0.95759277302553 195.084 34 Pt 0.27185598314392 0.74257370498371 0.54240722697447 195.084 35 Pt 0.27185598314392 0.75742629501629 0.04240722697447 195.084 36 Pt 0.72814401685608 0.25742629501629 0.45759277302553 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.765460630628290 0.000000000000000 0.000000000000000 b 0.000000000000000 5.439058110000000 0.000000000000000 c -5.505738789162446 0.000000000000000 10.456850611676021 Atomic positions (fractional): *1 F 0.29499790768194 0.56300146923628 0.91343398219888 18.998 > 1 2 F 0.70500209231806 0.06300146923628 0.58656601780112 18.998 > 2 3 F 0.70500209231806 0.43699853076372 0.08656601780112 18.998 > 3 4 F 0.29499790768194 0.93699853076372 0.41343398219888 18.998 > 4 *5 F 0.72274781269007 0.56159564356610 0.54235137768116 18.998 > 5 6 F 0.27725218730993 0.06159564356610 0.95764862231884 18.998 > 6 7 F 0.27725218730993 0.43840435643390 0.45764862231884 18.998 > 7 8 F 0.72274781269007 0.93840435643390 0.04235137768116 18.998 > 8 *9 F 0.47855695859492 0.22740803057725 0.85925626583810 18.998 > 9 10 F 0.52144304140508 0.72740803057725 0.64074373416190 18.998 > 10 11 F 0.52144304140508 0.77259196942275 0.14074373416190 18.998 > 11 12 F 0.47855695859492 0.27259196942275 0.35925626583810 18.998 > 12 *13 F 0.97788878104445 0.24584702694406 0.05103707701056 18.998 > 13 14 F 0.02211121895555 0.74584702694406 0.44896292298944 18.998 > 14 15 F 0.02211121895555 0.75415297305594 0.94896292298944 18.998 > 15 16 F 0.97788878104445 0.25415297305594 0.55103707701056 18.998 > 16 *17 F 0.27517118565467 0.03891728915545 0.63492694772452 18.998 > 17 18 F 0.72482881434533 0.53891728915545 0.86507305227548 18.998 > 18 19 F 0.72482881434533 0.96108271084455 0.36507305227548 18.998 > 19 20 F 0.27517118565467 0.46108271084455 0.13492694772452 18.998 > 20 *21 F 0.25494237298827 0.94555422948560 0.17577373067866 18.998 > 21 22 F 0.74505762701173 0.44555422948560 0.32422626932135 18.998 > 22 23 F 0.74505762701173 0.05444577051440 0.82422626932135 18.998 > 23 24 F 0.25494237298827 0.55444577051440 0.67577373067865 18.998 > 24 *25 F 0.03296135140268 0.59106779140241 0.23215307359368 18.998 > 25 26 F 0.96703864859732 0.09106779140241 0.26784692640632 18.998 > 26 27 F 0.96703864859732 0.40893220859759 0.76784692640632 18.998 > 27 28 F 0.03296135140268 0.90893220859759 0.73215307359368 18.998 > 28 *29 Dy 0.18625463961363 0.23934437607119 0.76420898660321 162.500 > 29 30 Dy 0.81374536038637 0.73934437607119 0.73579101339679 162.500 > 30 31 Dy 0.81374536038637 0.76065562392881 0.23579101339679 162.500 > 31 32 Dy 0.18625463961363 0.26065562392881 0.26420898660321 162.500 > 32 *33 Pt 0.72814401685608 0.24257370498371 0.95759277302553 195.084 > 33 34 Pt 0.27185598314392 0.74257370498371 0.54240722697447 195.084 > 34 35 Pt 0.27185598314392 0.75742629501629 0.04240722697447 195.084 > 35 36 Pt 0.72814401685608 0.25742629501629 0.45759277302553 195.084 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.530921261256580 0.000000000000000 0.000000000000000 b 0.000000000000000 10.878116220000001 0.000000000000000 c -5.505738789162446 0.000000000000000 10.456850611676021 Atomic positions (fractional): *1 F 0.14749895384097 0.28150073461814 0.91343398219888 18.998 > 1 2 F 0.64749895384097 0.28150073461814 0.91343398219888 18.998 > 1 3 F 0.14749895384097 0.78150073461814 0.91343398219888 18.998 > 1 4 F 0.64749895384097 0.78150073461814 0.91343398219888 18.998 > 1 5 F 0.35250104615903 0.03150073461814 0.58656601780112 18.998 > 2 6 F 0.85250104615903 0.03150073461814 0.58656601780112 18.998 > 2 7 F 0.35250104615903 0.53150073461814 0.58656601780112 18.998 > 2 8 F 0.85250104615903 0.53150073461814 0.58656601780112 18.998 > 2 9 F 0.35250104615903 0.21849926538186 0.08656601780112 18.998 > 3 10 F 0.85250104615903 0.21849926538186 0.08656601780112 18.998 > 3 11 F 0.35250104615903 0.71849926538186 0.08656601780112 18.998 > 3 12 F 0.85250104615903 0.71849926538186 0.08656601780112 18.998 > 3 13 F 0.14749895384097 0.46849926538186 0.41343398219888 18.998 > 4 14 F 0.64749895384097 0.46849926538186 0.41343398219888 18.998 > 4 15 F 0.14749895384097 0.96849926538186 0.41343398219888 18.998 > 4 16 F 0.64749895384097 0.96849926538186 0.41343398219888 18.998 > 4 *17 F 0.36137390634504 0.28079782178305 0.54235137768116 18.998 > 5 18 F 0.86137390634504 0.28079782178305 0.54235137768116 18.998 > 5 19 F 0.36137390634504 0.78079782178305 0.54235137768116 18.998 > 5 20 F 0.86137390634504 0.78079782178305 0.54235137768116 18.998 > 5 21 F 0.13862609365496 0.03079782178305 0.95764862231884 18.998 > 6 22 F 0.63862609365496 0.03079782178305 0.95764862231884 18.998 > 6 23 F 0.13862609365496 0.53079782178305 0.95764862231884 18.998 > 6 24 F 0.63862609365496 0.53079782178305 0.95764862231884 18.998 > 6 25 F 0.13862609365496 0.21920217821695 0.45764862231884 18.998 > 7 26 F 0.63862609365496 0.21920217821695 0.45764862231884 18.998 > 7 27 F 0.13862609365496 0.71920217821695 0.45764862231884 18.998 > 7 28 F 0.63862609365496 0.71920217821695 0.45764862231884 18.998 > 7 29 F 0.36137390634504 0.46920217821695 0.04235137768116 18.998 > 8 30 F 0.86137390634504 0.46920217821695 0.04235137768116 18.998 > 8 31 F 0.36137390634504 0.96920217821695 0.04235137768116 18.998 > 8 32 F 0.86137390634504 0.96920217821695 0.04235137768116 18.998 > 8 *33 F 0.23927847929746 0.11370401528862 0.85925626583810 18.998 > 9 34 F 0.73927847929746 0.11370401528862 0.85925626583810 18.998 > 9 35 F 0.23927847929746 0.61370401528862 0.85925626583810 18.998 > 9 36 F 0.73927847929746 0.61370401528862 0.85925626583810 18.998 > 9 37 F 0.26072152070254 0.36370401528862 0.64074373416190 18.998 > 10 38 F 0.76072152070254 0.36370401528862 0.64074373416190 18.998 > 10 39 F 0.26072152070254 0.86370401528862 0.64074373416190 18.998 > 10 40 F 0.76072152070254 0.86370401528862 0.64074373416190 18.998 > 10 41 F 0.26072152070254 0.38629598471138 0.14074373416190 18.998 > 11 42 F 0.76072152070254 0.38629598471138 0.14074373416190 18.998 > 11 43 F 0.26072152070254 0.88629598471138 0.14074373416190 18.998 > 11 44 F 0.76072152070254 0.88629598471138 0.14074373416190 18.998 > 11 45 F 0.23927847929746 0.13629598471138 0.35925626583810 18.998 > 12 46 F 0.73927847929746 0.13629598471138 0.35925626583810 18.998 > 12 47 F 0.23927847929746 0.63629598471138 0.35925626583810 18.998 > 12 48 F 0.73927847929746 0.63629598471138 0.35925626583810 18.998 > 12 *49 F 0.48894439052222 0.12292351347203 0.05103707701056 18.998 > 13 50 F 0.98894439052222 0.12292351347203 0.05103707701056 18.998 > 13 51 F 0.48894439052222 0.62292351347203 0.05103707701056 18.998 > 13 52 F 0.98894439052222 0.62292351347203 0.05103707701056 18.998 > 13 53 F 0.01105560947778 0.37292351347203 0.44896292298944 18.998 > 14 54 F 0.51105560947778 0.37292351347203 0.44896292298944 18.998 > 14 55 F 0.01105560947778 0.87292351347203 0.44896292298944 18.998 > 14 56 F 0.51105560947778 0.87292351347203 0.44896292298944 18.998 > 14 57 F 0.01105560947778 0.37707648652797 0.94896292298944 18.998 > 15 58 F 0.51105560947778 0.37707648652797 0.94896292298944 18.998 > 15 59 F 0.01105560947778 0.87707648652797 0.94896292298944 18.998 > 15 60 F 0.51105560947778 0.87707648652797 0.94896292298944 18.998 > 15 61 F 0.48894439052222 0.12707648652797 0.55103707701056 18.998 > 16 62 F 0.98894439052222 0.12707648652797 0.55103707701056 18.998 > 16 63 F 0.48894439052222 0.62707648652797 0.55103707701056 18.998 > 16 64 F 0.98894439052222 0.62707648652797 0.55103707701056 18.998 > 16 *65 F 0.13758559282733 0.01945864457772 0.63492694772452 18.998 > 17 66 F 0.63758559282733 0.01945864457772 0.63492694772452 18.998 > 17 67 F 0.13758559282733 0.51945864457772 0.63492694772452 18.998 > 17 68 F 0.63758559282733 0.51945864457772 0.63492694772452 18.998 > 17 69 F 0.36241440717267 0.26945864457772 0.86507305227548 18.998 > 18 70 F 0.86241440717267 0.26945864457772 0.86507305227548 18.998 > 18 71 F 0.36241440717267 0.76945864457772 0.86507305227548 18.998 > 18 72 F 0.86241440717267 0.76945864457772 0.86507305227548 18.998 > 18 73 F 0.36241440717267 0.48054135542228 0.36507305227548 18.998 > 19 74 F 0.86241440717267 0.48054135542228 0.36507305227548 18.998 > 19 75 F 0.36241440717267 0.98054135542228 0.36507305227548 18.998 > 19 76 F 0.86241440717267 0.98054135542228 0.36507305227548 18.998 > 19 77 F 0.13758559282733 0.23054135542228 0.13492694772452 18.998 > 20 78 F 0.63758559282733 0.23054135542228 0.13492694772452 18.998 > 20 79 F 0.13758559282733 0.73054135542228 0.13492694772452 18.998 > 20 80 F 0.63758559282733 0.73054135542228 0.13492694772452 18.998 > 20 *81 F 0.12747118649413 0.47277711474280 0.17577373067866 18.998 > 21 82 F 0.62747118649413 0.47277711474280 0.17577373067866 18.998 > 21 83 F 0.12747118649413 0.97277711474280 0.17577373067866 18.998 > 21 84 F 0.62747118649413 0.97277711474280 0.17577373067866 18.998 > 21 85 F 0.37252881350587 0.22277711474280 0.32422626932135 18.998 > 22 86 F 0.87252881350587 0.22277711474280 0.32422626932135 18.998 > 22 87 F 0.37252881350587 0.72277711474280 0.32422626932135 18.998 > 22 88 F 0.87252881350587 0.72277711474280 0.32422626932135 18.998 > 22 89 F 0.37252881350587 0.02722288525720 0.82422626932135 18.998 > 23 90 F 0.87252881350587 0.02722288525720 0.82422626932135 18.998 > 23 91 F 0.37252881350587 0.52722288525720 0.82422626932135 18.998 > 23 92 F 0.87252881350587 0.52722288525720 0.82422626932135 18.998 > 23 93 F 0.12747118649413 0.27722288525720 0.67577373067865 18.998 > 24 94 F 0.62747118649413 0.27722288525720 0.67577373067865 18.998 > 24 95 F 0.12747118649413 0.77722288525720 0.67577373067865 18.998 > 24 96 F 0.62747118649413 0.77722288525720 0.67577373067865 18.998 > 24 *97 F 0.01648067570134 0.29553389570121 0.23215307359368 18.998 > 25 98 F 0.51648067570134 0.29553389570121 0.23215307359368 18.998 > 25 99 F 0.01648067570134 0.79553389570121 0.23215307359368 18.998 > 25 100 F 0.51648067570134 0.79553389570121 0.23215307359368 18.998 > 25 101 F 0.48351932429866 0.04553389570121 0.26784692640632 18.998 > 26 102 F 0.98351932429866 0.04553389570121 0.26784692640632 18.998 > 26 103 F 0.48351932429866 0.54553389570121 0.26784692640632 18.998 > 26 104 F 0.98351932429866 0.54553389570121 0.26784692640632 18.998 > 26 105 F 0.48351932429866 0.20446610429879 0.76784692640632 18.998 > 27 106 F 0.98351932429866 0.20446610429879 0.76784692640632 18.998 > 27 107 F 0.48351932429866 0.70446610429879 0.76784692640632 18.998 > 27 108 F 0.98351932429866 0.70446610429879 0.76784692640632 18.998 > 27 109 F 0.01648067570134 0.45446610429879 0.73215307359368 18.998 > 28 110 F 0.51648067570134 0.45446610429879 0.73215307359368 18.998 > 28 111 F 0.01648067570134 0.95446610429879 0.73215307359368 18.998 > 28 112 F 0.51648067570134 0.95446610429879 0.73215307359368 18.998 > 28 *113 Dy 0.09312731980681 0.11967218803559 0.76420898660321 162.500 > 29 114 Dy 0.59312731980681 0.11967218803559 0.76420898660321 162.500 > 29 115 Dy 0.09312731980681 0.61967218803559 0.76420898660321 162.500 > 29 116 Dy 0.59312731980681 0.61967218803559 0.76420898660321 162.500 > 29 117 Dy 0.40687268019319 0.36967218803559 0.73579101339679 162.500 > 30 118 Dy 0.90687268019319 0.36967218803559 0.73579101339679 162.500 > 30 119 Dy 0.40687268019319 0.86967218803559 0.73579101339679 162.500 > 30 120 Dy 0.90687268019319 0.86967218803559 0.73579101339679 162.500 > 30 121 Dy 0.40687268019319 0.38032781196441 0.23579101339679 162.500 > 31 122 Dy 0.90687268019319 0.38032781196441 0.23579101339679 162.500 > 31 123 Dy 0.40687268019319 0.88032781196441 0.23579101339679 162.500 > 31 124 Dy 0.90687268019319 0.88032781196441 0.23579101339679 162.500 > 31 125 Dy 0.09312731980681 0.13032781196441 0.26420898660321 162.500 > 32 126 Dy 0.59312731980681 0.13032781196441 0.26420898660321 162.500 > 32 127 Dy 0.09312731980681 0.63032781196441 0.26420898660321 162.500 > 32 128 Dy 0.59312731980681 0.63032781196441 0.26420898660321 162.500 > 32 *129 Pt 0.36407200842804 0.12128685249186 0.95759277302553 195.084 > 33 130 Pt 0.86407200842804 0.12128685249186 0.95759277302553 195.084 > 33 131 Pt 0.36407200842804 0.62128685249186 0.95759277302553 195.084 > 33 132 Pt 0.86407200842804 0.62128685249186 0.95759277302553 195.084 > 33 133 Pt 0.13592799157196 0.37128685249186 0.54240722697447 195.084 > 34 134 Pt 0.63592799157196 0.37128685249186 0.54240722697447 195.084 > 34 135 Pt 0.13592799157196 0.87128685249186 0.54240722697447 195.084 > 34 136 Pt 0.63592799157196 0.87128685249186 0.54240722697447 195.084 > 34 137 Pt 0.13592799157196 0.37871314750814 0.04240722697447 195.084 > 35 138 Pt 0.63592799157196 0.37871314750814 0.04240722697447 195.084 > 35 139 Pt 0.13592799157196 0.87871314750814 0.04240722697447 195.084 > 35 140 Pt 0.63592799157196 0.87871314750814 0.04240722697447 195.084 > 35 141 Pt 0.36407200842804 0.12871314750814 0.45759277302553 195.084 > 36 142 Pt 0.86407200842804 0.12871314750814 0.45759277302553 195.084 > 36 143 Pt 0.36407200842804 0.62871314750814 0.45759277302553 195.084 > 36 144 Pt 0.86407200842804 0.62871314750814 0.45759277302553 195.084 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8711662 0.0000000 0.0063080 0.0000000 2.8500068 0.0000000 0.0063078 0.0000000 2.8714753 -------------------------- Born effective charges -------------------------- 1 F -0.5482953 0.3857917 0.4356534 0.2573189 -1.1494687 -0.7641174 0.3038749 -0.8165787 -1.2494158 2 F -0.5482953 -0.3857917 0.4356534 -0.2573189 -1.1494687 0.7641174 0.3038749 0.8165787 -1.2494158 3 F -0.5482953 0.3857917 0.4356534 0.2573189 -1.1494687 -0.7641174 0.3038749 -0.8165787 -1.2494158 4 F -0.5482953 -0.3857917 0.4356534 -0.2573189 -1.1494687 0.7641174 0.3038749 0.8165787 -1.2494158 5 F -0.4564773 0.3439391 0.3084173 0.3005346 -1.3583374 -0.9582581 0.2032677 -0.7838788 -1.1900900 6 F -0.4564773 -0.3439391 0.3084173 -0.3005346 -1.3583374 0.9582581 0.2032677 0.7838788 -1.1900900 7 F -0.4564773 0.3439391 0.3084173 0.3005346 -1.3583374 -0.9582581 0.2032677 -0.7838788 -1.1900900 8 F -0.4564773 -0.3439391 0.3084173 -0.3005346 -1.3583374 0.9582581 0.2032677 0.7838788 -1.1900900 9 F -2.0640342 -0.0105329 -0.9004045 -0.0685107 -0.4099615 -0.0514502 -0.9663014 -0.0231568 -0.9594399 10 F -2.0640342 0.0105329 -0.9004045 0.0685107 -0.4099615 0.0514502 -0.9663014 0.0231568 -0.9594399 11 F -2.0640342 -0.0105329 -0.9004045 -0.0685107 -0.4099615 -0.0514502 -0.9663014 -0.0231568 -0.9594399 12 F -2.0640342 0.0105329 -0.9004045 0.0685107 -0.4099615 0.0514502 -0.9663014 0.0231568 -0.9594399 13 F -1.1981096 0.0186388 -0.8431094 -0.0489893 -0.3435707 -0.0506272 -0.6616750 -0.0105549 -1.2088156 14 F -1.1981096 -0.0186388 -0.8431094 0.0489893 -0.3435707 0.0506272 -0.6616750 0.0105549 -1.2088156 15 F -1.1981096 0.0186388 -0.8431094 -0.0489893 -0.3435707 -0.0506272 -0.6616750 -0.0105549 -1.2088156 16 F -1.1981096 -0.0186388 -0.8431094 0.0489893 -0.3435707 0.0506272 -0.6616750 0.0105549 -1.2088156 17 F -0.7665817 0.5110595 0.3764913 0.6432623 -1.3760581 -0.7953572 0.4562276 -0.7039882 -0.9519884 18 F -0.7665817 -0.5110595 0.3764913 -0.6432623 -1.3760581 0.7953572 0.4562276 0.7039882 -0.9519884 19 F -0.7665817 0.5110595 0.3764913 0.6432623 -1.3760581 -0.7953572 0.4562276 -0.7039882 -0.9519884 20 F -0.7665817 -0.5110595 0.3764913 -0.6432623 -1.3760581 0.7953572 0.4562276 0.7039882 -0.9519884 21 F -0.8819022 0.6615252 0.5548689 0.6359019 -1.2864073 -0.7353514 0.6522180 -0.8565116 -1.2004132 22 F -0.8819022 -0.6615252 0.5548689 -0.6359019 -1.2864073 0.7353514 0.6522180 0.8565116 -1.2004132 23 F -0.8819022 0.6615252 0.5548689 0.6359019 -1.2864073 -0.7353514 0.6522180 -0.8565116 -1.2004132 24 F -0.8819022 -0.6615252 0.5548689 -0.6359019 -1.2864073 0.7353514 0.6522180 0.8565116 -1.2004132 25 F -1.5262101 0.7062691 -0.0848285 0.7602992 -1.4408748 0.0482006 -0.0317711 0.0150637 -0.7691840 26 F -1.5262101 -0.7062691 -0.0848285 -0.7602992 -1.4408748 -0.0482006 -0.0317711 -0.0150637 -0.7691840 27 F -1.5262101 0.7062691 -0.0848285 0.7602992 -1.4408748 0.0482006 -0.0317711 0.0150637 -0.7691840 28 F -1.5262101 -0.7062691 -0.0848285 -0.7602992 -1.4408748 -0.0482006 -0.0317711 -0.0150637 -0.7691840 29 Dy 4.3770539 0.1781448 0.1628981 -0.0807606 4.3279255 -0.0303197 -0.0105515 -0.0381268 4.4738250 30 Dy 4.3770539 -0.1781448 0.1628981 0.0807606 4.3279255 0.0303197 -0.0105515 0.0381268 4.4738250 31 Dy 4.3770539 0.1781448 0.1628981 -0.0807606 4.3279255 -0.0303197 -0.0105515 -0.0381268 4.4738250 32 Dy 4.3770539 -0.1781448 0.1628981 0.0807606 4.3279255 0.0303197 -0.0105515 0.0381268 4.4738250 33 Pt 3.0645564 0.0228355 -0.0099867 -0.0597080 3.0367531 0.0888382 0.0547108 -0.0996813 3.0555219 34 Pt 3.0645564 -0.0228355 -0.0099867 0.0597080 3.0367531 -0.0888382 0.0547108 0.0996813 3.0555219 35 Pt 3.0645564 0.0228355 -0.0099867 -0.0597080 3.0367531 0.0888382 0.0547108 -0.0996813 3.0555219 36 Pt 3.0645564 -0.0228355 -0.0099867 0.0597080 3.0367531 -0.0888382 0.0547108 0.0996813 3.0555219 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.783 Solver_block: 200 / 1120 - Time: 2.377 Solver_block: 300 / 1120 - Time: 2.540 Solver_block: 400 / 1120 - Time: 2.384 Solver_block: 500 / 1120 - Time: 2.503 Solver_block: 600 / 1120 - Time: 2.507 Solver_block: 700 / 1120 - Time: 2.436 Solver_block: 800 / 1120 - Time: 2.490 Solver_block: 900 / 1120 - Time: 2.627 Solver_block: 1000 / 1120 - Time: 2.675 Solver_block: 1100 / 1120 - Time: 2.450 Solver_block: 1120 / 1120 - Time: 0.609 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.601 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:04:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:04:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.765460630628290 0.000000000000000 0.000000000000000 b 0.000000000000000 5.439058110000000 0.000000000000000 c -5.505738789162446 0.000000000000000 10.456850611676021 Atomic positions (fractional): 1 F 0.29499790768194 0.56300146923628 0.91343398219888 18.998 2 F 0.70500209231806 0.06300146923628 0.58656601780112 18.998 3 F 0.70500209231806 0.43699853076372 0.08656601780112 18.998 4 F 0.29499790768194 0.93699853076372 0.41343398219888 18.998 5 F 0.72274781269007 0.56159564356610 0.54235137768116 18.998 6 F 0.27725218730993 0.06159564356610 0.95764862231884 18.998 7 F 0.27725218730993 0.43840435643390 0.45764862231884 18.998 8 F 0.72274781269007 0.93840435643390 0.04235137768116 18.998 9 F 0.47855695859492 0.22740803057725 0.85925626583810 18.998 10 F 0.52144304140508 0.72740803057725 0.64074373416190 18.998 11 F 0.52144304140508 0.77259196942275 0.14074373416190 18.998 12 F 0.47855695859492 0.27259196942275 0.35925626583810 18.998 13 F 0.97788878104445 0.24584702694406 0.05103707701056 18.998 14 F 0.02211121895555 0.74584702694406 0.44896292298944 18.998 15 F 0.02211121895555 0.75415297305594 0.94896292298944 18.998 16 F 0.97788878104445 0.25415297305594 0.55103707701056 18.998 17 F 0.27517118565467 0.03891728915545 0.63492694772452 18.998 18 F 0.72482881434533 0.53891728915545 0.86507305227548 18.998 19 F 0.72482881434533 0.96108271084455 0.36507305227548 18.998 20 F 0.27517118565467 0.46108271084455 0.13492694772452 18.998 21 F 0.25494237298827 0.94555422948560 0.17577373067866 18.998 22 F 0.74505762701173 0.44555422948560 0.32422626932135 18.998 23 F 0.74505762701173 0.05444577051440 0.82422626932135 18.998 24 F 0.25494237298827 0.55444577051440 0.67577373067865 18.998 25 F 0.03296135140268 0.59106779140241 0.23215307359368 18.998 26 F 0.96703864859732 0.09106779140241 0.26784692640632 18.998 27 F 0.96703864859732 0.40893220859759 0.76784692640632 18.998 28 F 0.03296135140268 0.90893220859759 0.73215307359368 18.998 29 Dy 0.18625463961363 0.23934437607119 0.76420898660321 162.500 30 Dy 0.81374536038637 0.73934437607119 0.73579101339679 162.500 31 Dy 0.81374536038637 0.76065562392881 0.23579101339679 162.500 32 Dy 0.18625463961363 0.26065562392881 0.26420898660321 162.500 33 Pt 0.72814401685608 0.24257370498371 0.95759277302553 195.084 34 Pt 0.27185598314392 0.74257370498371 0.54240722697447 195.084 35 Pt 0.27185598314392 0.75742629501629 0.04240722697447 195.084 36 Pt 0.72814401685608 0.25742629501629 0.45759277302553 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.530921261256580 0.000000000000000 0.000000000000000 b 0.000000000000000 10.878116220000001 0.000000000000000 c -5.505738789162446 0.000000000000000 10.456850611676021 Atomic positions (fractional): 1 F 0.14749895384097 0.28150073461814 0.91343398219888 18.998 > 1 2 F 0.64749895384097 0.28150073461814 0.91343398219888 18.998 > 1 3 F 0.14749895384097 0.78150073461814 0.91343398219888 18.998 > 1 4 F 0.64749895384097 0.78150073461814 0.91343398219888 18.998 > 1 5 F 0.35250104615903 0.03150073461814 0.58656601780112 18.998 > 5 6 F 0.85250104615903 0.03150073461814 0.58656601780112 18.998 > 5 7 F 0.35250104615903 0.53150073461814 0.58656601780112 18.998 > 5 8 F 0.85250104615903 0.53150073461814 0.58656601780112 18.998 > 5 9 F 0.35250104615903 0.21849926538186 0.08656601780112 18.998 > 9 10 F 0.85250104615903 0.21849926538186 0.08656601780112 18.998 > 9 11 F 0.35250104615903 0.71849926538186 0.08656601780112 18.998 > 9 12 F 0.85250104615903 0.71849926538186 0.08656601780112 18.998 > 9 13 F 0.14749895384097 0.46849926538186 0.41343398219888 18.998 > 13 14 F 0.64749895384097 0.46849926538186 0.41343398219888 18.998 > 13 15 F 0.14749895384097 0.96849926538186 0.41343398219888 18.998 > 13 16 F 0.64749895384097 0.96849926538186 0.41343398219888 18.998 > 13 17 F 0.36137390634504 0.28079782178305 0.54235137768116 18.998 > 17 18 F 0.86137390634504 0.28079782178305 0.54235137768116 18.998 > 17 19 F 0.36137390634504 0.78079782178305 0.54235137768116 18.998 > 17 20 F 0.86137390634504 0.78079782178305 0.54235137768116 18.998 > 17 21 F 0.13862609365496 0.03079782178305 0.95764862231884 18.998 > 21 22 F 0.63862609365496 0.03079782178305 0.95764862231884 18.998 > 21 23 F 0.13862609365496 0.53079782178305 0.95764862231884 18.998 > 21 24 F 0.63862609365496 0.53079782178305 0.95764862231884 18.998 > 21 25 F 0.13862609365496 0.21920217821695 0.45764862231884 18.998 > 25 26 F 0.63862609365496 0.21920217821695 0.45764862231884 18.998 > 25 27 F 0.13862609365496 0.71920217821695 0.45764862231884 18.998 > 25 28 F 0.63862609365496 0.71920217821695 0.45764862231884 18.998 > 25 29 F 0.36137390634504 0.46920217821695 0.04235137768116 18.998 > 29 30 F 0.86137390634504 0.46920217821695 0.04235137768116 18.998 > 29 31 F 0.36137390634504 0.96920217821695 0.04235137768116 18.998 > 29 32 F 0.86137390634504 0.96920217821695 0.04235137768116 18.998 > 29 33 F 0.23927847929746 0.11370401528862 0.85925626583810 18.998 > 33 34 F 0.73927847929746 0.11370401528862 0.85925626583810 18.998 > 33 35 F 0.23927847929746 0.61370401528862 0.85925626583810 18.998 > 33 36 F 0.73927847929746 0.61370401528862 0.85925626583810 18.998 > 33 37 F 0.26072152070254 0.36370401528862 0.64074373416190 18.998 > 37 38 F 0.76072152070254 0.36370401528862 0.64074373416190 18.998 > 37 39 F 0.26072152070254 0.86370401528862 0.64074373416190 18.998 > 37 40 F 0.76072152070254 0.86370401528862 0.64074373416190 18.998 > 37 41 F 0.26072152070254 0.38629598471138 0.14074373416190 18.998 > 41 42 F 0.76072152070254 0.38629598471138 0.14074373416190 18.998 > 41 43 F 0.26072152070254 0.88629598471138 0.14074373416190 18.998 > 41 44 F 0.76072152070254 0.88629598471138 0.14074373416190 18.998 > 41 45 F 0.23927847929746 0.13629598471138 0.35925626583810 18.998 > 45 46 F 0.73927847929746 0.13629598471138 0.35925626583810 18.998 > 45 47 F 0.23927847929746 0.63629598471138 0.35925626583810 18.998 > 45 48 F 0.73927847929746 0.63629598471138 0.35925626583810 18.998 > 45 49 F 0.48894439052222 0.12292351347203 0.05103707701056 18.998 > 49 50 F 0.98894439052222 0.12292351347203 0.05103707701056 18.998 > 49 51 F 0.48894439052222 0.62292351347203 0.05103707701056 18.998 > 49 52 F 0.98894439052222 0.62292351347203 0.05103707701056 18.998 > 49 53 F 0.01105560947778 0.37292351347203 0.44896292298944 18.998 > 53 54 F 0.51105560947778 0.37292351347203 0.44896292298944 18.998 > 53 55 F 0.01105560947778 0.87292351347203 0.44896292298944 18.998 > 53 56 F 0.51105560947778 0.87292351347203 0.44896292298944 18.998 > 53 57 F 0.01105560947778 0.37707648652797 0.94896292298944 18.998 > 57 58 F 0.51105560947778 0.37707648652797 0.94896292298944 18.998 > 57 59 F 0.01105560947778 0.87707648652797 0.94896292298944 18.998 > 57 60 F 0.51105560947778 0.87707648652797 0.94896292298944 18.998 > 57 61 F 0.48894439052222 0.12707648652797 0.55103707701056 18.998 > 61 62 F 0.98894439052222 0.12707648652797 0.55103707701056 18.998 > 61 63 F 0.48894439052222 0.62707648652797 0.55103707701056 18.998 > 61 64 F 0.98894439052222 0.62707648652797 0.55103707701056 18.998 > 61 65 F 0.13758559282733 0.01945864457772 0.63492694772452 18.998 > 65 66 F 0.63758559282733 0.01945864457772 0.63492694772452 18.998 > 65 67 F 0.13758559282733 0.51945864457772 0.63492694772452 18.998 > 65 68 F 0.63758559282733 0.51945864457772 0.63492694772452 18.998 > 65 69 F 0.36241440717267 0.26945864457772 0.86507305227548 18.998 > 69 70 F 0.86241440717267 0.26945864457772 0.86507305227548 18.998 > 69 71 F 0.36241440717267 0.76945864457772 0.86507305227548 18.998 > 69 72 F 0.86241440717267 0.76945864457772 0.86507305227548 18.998 > 69 73 F 0.36241440717267 0.48054135542228 0.36507305227548 18.998 > 73 74 F 0.86241440717267 0.48054135542228 0.36507305227548 18.998 > 73 75 F 0.36241440717267 0.98054135542228 0.36507305227548 18.998 > 73 76 F 0.86241440717267 0.98054135542228 0.36507305227548 18.998 > 73 77 F 0.13758559282733 0.23054135542228 0.13492694772452 18.998 > 77 78 F 0.63758559282733 0.23054135542228 0.13492694772452 18.998 > 77 79 F 0.13758559282733 0.73054135542228 0.13492694772452 18.998 > 77 80 F 0.63758559282733 0.73054135542228 0.13492694772452 18.998 > 77 81 F 0.12747118649413 0.47277711474280 0.17577373067866 18.998 > 81 82 F 0.62747118649413 0.47277711474280 0.17577373067866 18.998 > 81 83 F 0.12747118649413 0.97277711474280 0.17577373067866 18.998 > 81 84 F 0.62747118649413 0.97277711474280 0.17577373067866 18.998 > 81 85 F 0.37252881350587 0.22277711474280 0.32422626932135 18.998 > 85 86 F 0.87252881350587 0.22277711474280 0.32422626932135 18.998 > 85 87 F 0.37252881350587 0.72277711474280 0.32422626932135 18.998 > 85 88 F 0.87252881350587 0.72277711474280 0.32422626932135 18.998 > 85 89 F 0.37252881350587 0.02722288525720 0.82422626932135 18.998 > 89 90 F 0.87252881350587 0.02722288525720 0.82422626932135 18.998 > 89 91 F 0.37252881350587 0.52722288525720 0.82422626932135 18.998 > 89 92 F 0.87252881350587 0.52722288525720 0.82422626932135 18.998 > 89 93 F 0.12747118649413 0.27722288525720 0.67577373067865 18.998 > 93 94 F 0.62747118649413 0.27722288525720 0.67577373067865 18.998 > 93 95 F 0.12747118649413 0.77722288525720 0.67577373067865 18.998 > 93 96 F 0.62747118649413 0.77722288525720 0.67577373067865 18.998 > 93 97 F 0.01648067570134 0.29553389570121 0.23215307359368 18.998 > 97 98 F 0.51648067570134 0.29553389570121 0.23215307359368 18.998 > 97 99 F 0.01648067570134 0.79553389570121 0.23215307359368 18.998 > 97 100 F 0.51648067570134 0.79553389570121 0.23215307359368 18.998 > 97 101 F 0.48351932429866 0.04553389570121 0.26784692640632 18.998 > 101 102 F 0.98351932429866 0.04553389570121 0.26784692640632 18.998 > 101 103 F 0.48351932429866 0.54553389570121 0.26784692640632 18.998 > 101 104 F 0.98351932429866 0.54553389570121 0.26784692640632 18.998 > 101 105 F 0.48351932429866 0.20446610429879 0.76784692640632 18.998 > 105 106 F 0.98351932429866 0.20446610429879 0.76784692640632 18.998 > 105 107 F 0.48351932429866 0.70446610429879 0.76784692640632 18.998 > 105 108 F 0.98351932429866 0.70446610429879 0.76784692640632 18.998 > 105 109 F 0.01648067570134 0.45446610429879 0.73215307359368 18.998 > 109 110 F 0.51648067570134 0.45446610429879 0.73215307359368 18.998 > 109 111 F 0.01648067570134 0.95446610429879 0.73215307359368 18.998 > 109 112 F 0.51648067570134 0.95446610429879 0.73215307359368 18.998 > 109 113 Dy 0.09312731980681 0.11967218803559 0.76420898660321 162.500 > 113 114 Dy 0.59312731980681 0.11967218803559 0.76420898660321 162.500 > 113 115 Dy 0.09312731980681 0.61967218803559 0.76420898660321 162.500 > 113 116 Dy 0.59312731980681 0.61967218803559 0.76420898660321 162.500 > 113 117 Dy 0.40687268019319 0.36967218803559 0.73579101339679 162.500 > 117 118 Dy 0.90687268019319 0.36967218803559 0.73579101339679 162.500 > 117 119 Dy 0.40687268019319 0.86967218803559 0.73579101339679 162.500 > 117 120 Dy 0.90687268019319 0.86967218803559 0.73579101339679 162.500 > 117 121 Dy 0.40687268019319 0.38032781196441 0.23579101339679 162.500 > 121 122 Dy 0.90687268019319 0.38032781196441 0.23579101339679 162.500 > 121 123 Dy 0.40687268019319 0.88032781196441 0.23579101339679 162.500 > 121 124 Dy 0.90687268019319 0.88032781196441 0.23579101339679 162.500 > 121 125 Dy 0.09312731980681 0.13032781196441 0.26420898660321 162.500 > 125 126 Dy 0.59312731980681 0.13032781196441 0.26420898660321 162.500 > 125 127 Dy 0.09312731980681 0.63032781196441 0.26420898660321 162.500 > 125 128 Dy 0.59312731980681 0.63032781196441 0.26420898660321 162.500 > 125 129 Pt 0.36407200842804 0.12128685249186 0.95759277302553 195.084 > 129 130 Pt 0.86407200842804 0.12128685249186 0.95759277302553 195.084 > 129 131 Pt 0.36407200842804 0.62128685249186 0.95759277302553 195.084 > 129 132 Pt 0.86407200842804 0.62128685249186 0.95759277302553 195.084 > 129 133 Pt 0.13592799157196 0.37128685249186 0.54240722697447 195.084 > 133 134 Pt 0.63592799157196 0.37128685249186 0.54240722697447 195.084 > 133 135 Pt 0.13592799157196 0.87128685249186 0.54240722697447 195.084 > 133 136 Pt 0.63592799157196 0.87128685249186 0.54240722697447 195.084 > 133 137 Pt 0.13592799157196 0.37871314750814 0.04240722697447 195.084 > 137 138 Pt 0.63592799157196 0.37871314750814 0.04240722697447 195.084 > 137 139 Pt 0.13592799157196 0.87871314750814 0.04240722697447 195.084 > 137 140 Pt 0.63592799157196 0.87871314750814 0.04240722697447 195.084 > 137 141 Pt 0.36407200842804 0.12871314750814 0.45759277302553 195.084 > 141 142 Pt 0.86407200842804 0.12871314750814 0.45759277302553 195.084 > 141 143 Pt 0.36407200842804 0.62871314750814 0.45759277302553 195.084 > 141 144 Pt 0.86407200842804 0.62871314750814 0.45759277302553 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8711662 0.0000000 0.0063080 0.0000000 2.8500068 0.0000000 0.0063078 0.0000000 2.8714753 -------------------------- Born effective charges -------------------------- 1 F -0.5482953 0.3857917 0.4356534 0.2573189 -1.1494687 -0.7641174 0.3038749 -0.8165787 -1.2494158 2 F -0.5482953 -0.3857917 0.4356534 -0.2573189 -1.1494687 0.7641174 0.3038749 0.8165787 -1.2494158 3 F -0.5482953 0.3857917 0.4356534 0.2573189 -1.1494687 -0.7641174 0.3038749 -0.8165787 -1.2494158 4 F -0.5482953 -0.3857917 0.4356534 -0.2573189 -1.1494687 0.7641174 0.3038749 0.8165787 -1.2494158 5 F -0.4564773 0.3439391 0.3084173 0.3005346 -1.3583374 -0.9582581 0.2032677 -0.7838788 -1.1900900 6 F -0.4564773 -0.3439391 0.3084173 -0.3005346 -1.3583374 0.9582581 0.2032677 0.7838788 -1.1900900 7 F -0.4564773 0.3439391 0.3084173 0.3005346 -1.3583374 -0.9582581 0.2032677 -0.7838788 -1.1900900 8 F -0.4564773 -0.3439391 0.3084173 -0.3005346 -1.3583374 0.9582581 0.2032677 0.7838788 -1.1900900 9 F -2.0640342 -0.0105329 -0.9004045 -0.0685107 -0.4099615 -0.0514502 -0.9663014 -0.0231568 -0.9594399 10 F -2.0640342 0.0105329 -0.9004045 0.0685107 -0.4099615 0.0514502 -0.9663014 0.0231568 -0.9594399 11 F -2.0640342 -0.0105329 -0.9004045 -0.0685107 -0.4099615 -0.0514502 -0.9663014 -0.0231568 -0.9594399 12 F -2.0640342 0.0105329 -0.9004045 0.0685107 -0.4099615 0.0514502 -0.9663014 0.0231568 -0.9594399 13 F -1.1981096 0.0186388 -0.8431094 -0.0489893 -0.3435707 -0.0506272 -0.6616750 -0.0105549 -1.2088156 14 F -1.1981096 -0.0186388 -0.8431094 0.0489893 -0.3435707 0.0506272 -0.6616750 0.0105549 -1.2088156 15 F -1.1981096 0.0186388 -0.8431094 -0.0489893 -0.3435707 -0.0506272 -0.6616750 -0.0105549 -1.2088156 16 F -1.1981096 -0.0186388 -0.8431094 0.0489893 -0.3435707 0.0506272 -0.6616750 0.0105549 -1.2088156 17 F -0.7665817 0.5110595 0.3764913 0.6432623 -1.3760581 -0.7953572 0.4562276 -0.7039882 -0.9519884 18 F -0.7665817 -0.5110595 0.3764913 -0.6432623 -1.3760581 0.7953572 0.4562276 0.7039882 -0.9519884 19 F -0.7665817 0.5110595 0.3764913 0.6432623 -1.3760581 -0.7953572 0.4562276 -0.7039882 -0.9519884 20 F -0.7665817 -0.5110595 0.3764913 -0.6432623 -1.3760581 0.7953572 0.4562276 0.7039882 -0.9519884 21 F -0.8819022 0.6615252 0.5548689 0.6359019 -1.2864073 -0.7353514 0.6522180 -0.8565116 -1.2004132 22 F -0.8819022 -0.6615252 0.5548689 -0.6359019 -1.2864073 0.7353514 0.6522180 0.8565116 -1.2004132 23 F -0.8819022 0.6615252 0.5548689 0.6359019 -1.2864073 -0.7353514 0.6522180 -0.8565116 -1.2004132 24 F -0.8819022 -0.6615252 0.5548689 -0.6359019 -1.2864073 0.7353514 0.6522180 0.8565116 -1.2004132 25 F -1.5262101 0.7062691 -0.0848285 0.7602992 -1.4408748 0.0482006 -0.0317711 0.0150637 -0.7691840 26 F -1.5262101 -0.7062691 -0.0848285 -0.7602992 -1.4408748 -0.0482006 -0.0317711 -0.0150637 -0.7691840 27 F -1.5262101 0.7062691 -0.0848285 0.7602992 -1.4408748 0.0482006 -0.0317711 0.0150637 -0.7691840 28 F -1.5262101 -0.7062691 -0.0848285 -0.7602992 -1.4408748 -0.0482006 -0.0317711 -0.0150637 -0.7691840 29 Dy 4.3770539 0.1781448 0.1628981 -0.0807606 4.3279255 -0.0303197 -0.0105515 -0.0381268 4.4738250 30 Dy 4.3770539 -0.1781448 0.1628981 0.0807606 4.3279255 0.0303197 -0.0105515 0.0381268 4.4738250 31 Dy 4.3770539 0.1781448 0.1628981 -0.0807606 4.3279255 -0.0303197 -0.0105515 -0.0381268 4.4738250 32 Dy 4.3770539 -0.1781448 0.1628981 0.0807606 4.3279255 0.0303197 -0.0105515 0.0381268 4.4738250 33 Pt 3.0645564 0.0228355 -0.0099867 -0.0597080 3.0367531 0.0888382 0.0547108 -0.0996813 3.0555219 34 Pt 3.0645564 -0.0228355 -0.0099867 0.0597080 3.0367531 -0.0888382 0.0547108 0.0996813 3.0555219 35 Pt 3.0645564 0.0228355 -0.0099867 -0.0597080 3.0367531 0.0888382 0.0547108 -0.0996813 3.0555219 36 Pt 3.0645564 -0.0228355 -0.0099867 0.0597080 3.0367531 -0.0888382 0.0547108 0.0996813 3.0555219 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:05:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:05:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.765460630628290 0.000000000000000 0.000000000000000 b 0.000000000000000 5.439058110000000 0.000000000000000 c -5.505738789162446 0.000000000000000 10.456850611676021 Atomic positions (fractional): 1 F 0.29499790768194 0.56300146923628 0.91343398219888 18.998 2 F 0.70500209231806 0.06300146923628 0.58656601780112 18.998 3 F 0.70500209231806 0.43699853076372 0.08656601780112 18.998 4 F 0.29499790768194 0.93699853076372 0.41343398219888 18.998 5 F 0.72274781269007 0.56159564356610 0.54235137768116 18.998 6 F 0.27725218730993 0.06159564356610 0.95764862231884 18.998 7 F 0.27725218730993 0.43840435643390 0.45764862231884 18.998 8 F 0.72274781269007 0.93840435643390 0.04235137768116 18.998 9 F 0.47855695859492 0.22740803057725 0.85925626583810 18.998 10 F 0.52144304140508 0.72740803057725 0.64074373416190 18.998 11 F 0.52144304140508 0.77259196942275 0.14074373416190 18.998 12 F 0.47855695859492 0.27259196942275 0.35925626583810 18.998 13 F 0.97788878104445 0.24584702694406 0.05103707701056 18.998 14 F 0.02211121895555 0.74584702694406 0.44896292298944 18.998 15 F 0.02211121895555 0.75415297305594 0.94896292298944 18.998 16 F 0.97788878104445 0.25415297305594 0.55103707701056 18.998 17 F 0.27517118565467 0.03891728915545 0.63492694772452 18.998 18 F 0.72482881434533 0.53891728915545 0.86507305227548 18.998 19 F 0.72482881434533 0.96108271084455 0.36507305227548 18.998 20 F 0.27517118565467 0.46108271084455 0.13492694772452 18.998 21 F 0.25494237298827 0.94555422948560 0.17577373067866 18.998 22 F 0.74505762701173 0.44555422948560 0.32422626932135 18.998 23 F 0.74505762701173 0.05444577051440 0.82422626932135 18.998 24 F 0.25494237298827 0.55444577051440 0.67577373067865 18.998 25 F 0.03296135140268 0.59106779140241 0.23215307359368 18.998 26 F 0.96703864859732 0.09106779140241 0.26784692640632 18.998 27 F 0.96703864859732 0.40893220859759 0.76784692640632 18.998 28 F 0.03296135140268 0.90893220859759 0.73215307359368 18.998 29 Dy 0.18625463961363 0.23934437607119 0.76420898660321 162.500 30 Dy 0.81374536038637 0.73934437607119 0.73579101339679 162.500 31 Dy 0.81374536038637 0.76065562392881 0.23579101339679 162.500 32 Dy 0.18625463961363 0.26065562392881 0.26420898660321 162.500 33 Pt 0.72814401685608 0.24257370498371 0.95759277302553 195.084 34 Pt 0.27185598314392 0.74257370498371 0.54240722697447 195.084 35 Pt 0.27185598314392 0.75742629501629 0.04240722697447 195.084 36 Pt 0.72814401685608 0.25742629501629 0.45759277302553 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.530921261256580 0.000000000000000 0.000000000000000 b 0.000000000000000 10.878116220000001 0.000000000000000 c -5.505738789162446 0.000000000000000 10.456850611676021 Atomic positions (fractional): 1 F 0.14749895384097 0.28150073461814 0.91343398219888 18.998 > 1 2 F 0.64749895384097 0.28150073461814 0.91343398219888 18.998 > 1 3 F 0.14749895384097 0.78150073461814 0.91343398219888 18.998 > 1 4 F 0.64749895384097 0.78150073461814 0.91343398219888 18.998 > 1 5 F 0.35250104615903 0.03150073461814 0.58656601780112 18.998 > 5 6 F 0.85250104615903 0.03150073461814 0.58656601780112 18.998 > 5 7 F 0.35250104615903 0.53150073461814 0.58656601780112 18.998 > 5 8 F 0.85250104615903 0.53150073461814 0.58656601780112 18.998 > 5 9 F 0.35250104615903 0.21849926538186 0.08656601780112 18.998 > 9 10 F 0.85250104615903 0.21849926538186 0.08656601780112 18.998 > 9 11 F 0.35250104615903 0.71849926538186 0.08656601780112 18.998 > 9 12 F 0.85250104615903 0.71849926538186 0.08656601780112 18.998 > 9 13 F 0.14749895384097 0.46849926538186 0.41343398219888 18.998 > 13 14 F 0.64749895384097 0.46849926538186 0.41343398219888 18.998 > 13 15 F 0.14749895384097 0.96849926538186 0.41343398219888 18.998 > 13 16 F 0.64749895384097 0.96849926538186 0.41343398219888 18.998 > 13 17 F 0.36137390634504 0.28079782178305 0.54235137768116 18.998 > 17 18 F 0.86137390634504 0.28079782178305 0.54235137768116 18.998 > 17 19 F 0.36137390634504 0.78079782178305 0.54235137768116 18.998 > 17 20 F 0.86137390634504 0.78079782178305 0.54235137768116 18.998 > 17 21 F 0.13862609365496 0.03079782178305 0.95764862231884 18.998 > 21 22 F 0.63862609365496 0.03079782178305 0.95764862231884 18.998 > 21 23 F 0.13862609365496 0.53079782178305 0.95764862231884 18.998 > 21 24 F 0.63862609365496 0.53079782178305 0.95764862231884 18.998 > 21 25 F 0.13862609365496 0.21920217821695 0.45764862231884 18.998 > 25 26 F 0.63862609365496 0.21920217821695 0.45764862231884 18.998 > 25 27 F 0.13862609365496 0.71920217821695 0.45764862231884 18.998 > 25 28 F 0.63862609365496 0.71920217821695 0.45764862231884 18.998 > 25 29 F 0.36137390634504 0.46920217821695 0.04235137768116 18.998 > 29 30 F 0.86137390634504 0.46920217821695 0.04235137768116 18.998 > 29 31 F 0.36137390634504 0.96920217821695 0.04235137768116 18.998 > 29 32 F 0.86137390634504 0.96920217821695 0.04235137768116 18.998 > 29 33 F 0.23927847929746 0.11370401528862 0.85925626583810 18.998 > 33 34 F 0.73927847929746 0.11370401528862 0.85925626583810 18.998 > 33 35 F 0.23927847929746 0.61370401528862 0.85925626583810 18.998 > 33 36 F 0.73927847929746 0.61370401528862 0.85925626583810 18.998 > 33 37 F 0.26072152070254 0.36370401528862 0.64074373416190 18.998 > 37 38 F 0.76072152070254 0.36370401528862 0.64074373416190 18.998 > 37 39 F 0.26072152070254 0.86370401528862 0.64074373416190 18.998 > 37 40 F 0.76072152070254 0.86370401528862 0.64074373416190 18.998 > 37 41 F 0.26072152070254 0.38629598471138 0.14074373416190 18.998 > 41 42 F 0.76072152070254 0.38629598471138 0.14074373416190 18.998 > 41 43 F 0.26072152070254 0.88629598471138 0.14074373416190 18.998 > 41 44 F 0.76072152070254 0.88629598471138 0.14074373416190 18.998 > 41 45 F 0.23927847929746 0.13629598471138 0.35925626583810 18.998 > 45 46 F 0.73927847929746 0.13629598471138 0.35925626583810 18.998 > 45 47 F 0.23927847929746 0.63629598471138 0.35925626583810 18.998 > 45 48 F 0.73927847929746 0.63629598471138 0.35925626583810 18.998 > 45 49 F 0.48894439052222 0.12292351347203 0.05103707701056 18.998 > 49 50 F 0.98894439052222 0.12292351347203 0.05103707701056 18.998 > 49 51 F 0.48894439052222 0.62292351347203 0.05103707701056 18.998 > 49 52 F 0.98894439052222 0.62292351347203 0.05103707701056 18.998 > 49 53 F 0.01105560947778 0.37292351347203 0.44896292298944 18.998 > 53 54 F 0.51105560947778 0.37292351347203 0.44896292298944 18.998 > 53 55 F 0.01105560947778 0.87292351347203 0.44896292298944 18.998 > 53 56 F 0.51105560947778 0.87292351347203 0.44896292298944 18.998 > 53 57 F 0.01105560947778 0.37707648652797 0.94896292298944 18.998 > 57 58 F 0.51105560947778 0.37707648652797 0.94896292298944 18.998 > 57 59 F 0.01105560947778 0.87707648652797 0.94896292298944 18.998 > 57 60 F 0.51105560947778 0.87707648652797 0.94896292298944 18.998 > 57 61 F 0.48894439052222 0.12707648652797 0.55103707701056 18.998 > 61 62 F 0.98894439052222 0.12707648652797 0.55103707701056 18.998 > 61 63 F 0.48894439052222 0.62707648652797 0.55103707701056 18.998 > 61 64 F 0.98894439052222 0.62707648652797 0.55103707701056 18.998 > 61 65 F 0.13758559282733 0.01945864457772 0.63492694772452 18.998 > 65 66 F 0.63758559282733 0.01945864457772 0.63492694772452 18.998 > 65 67 F 0.13758559282733 0.51945864457772 0.63492694772452 18.998 > 65 68 F 0.63758559282733 0.51945864457772 0.63492694772452 18.998 > 65 69 F 0.36241440717267 0.26945864457772 0.86507305227548 18.998 > 69 70 F 0.86241440717267 0.26945864457772 0.86507305227548 18.998 > 69 71 F 0.36241440717267 0.76945864457772 0.86507305227548 18.998 > 69 72 F 0.86241440717267 0.76945864457772 0.86507305227548 18.998 > 69 73 F 0.36241440717267 0.48054135542228 0.36507305227548 18.998 > 73 74 F 0.86241440717267 0.48054135542228 0.36507305227548 18.998 > 73 75 F 0.36241440717267 0.98054135542228 0.36507305227548 18.998 > 73 76 F 0.86241440717267 0.98054135542228 0.36507305227548 18.998 > 73 77 F 0.13758559282733 0.23054135542228 0.13492694772452 18.998 > 77 78 F 0.63758559282733 0.23054135542228 0.13492694772452 18.998 > 77 79 F 0.13758559282733 0.73054135542228 0.13492694772452 18.998 > 77 80 F 0.63758559282733 0.73054135542228 0.13492694772452 18.998 > 77 81 F 0.12747118649413 0.47277711474280 0.17577373067866 18.998 > 81 82 F 0.62747118649413 0.47277711474280 0.17577373067866 18.998 > 81 83 F 0.12747118649413 0.97277711474280 0.17577373067866 18.998 > 81 84 F 0.62747118649413 0.97277711474280 0.17577373067866 18.998 > 81 85 F 0.37252881350587 0.22277711474280 0.32422626932135 18.998 > 85 86 F 0.87252881350587 0.22277711474280 0.32422626932135 18.998 > 85 87 F 0.37252881350587 0.72277711474280 0.32422626932135 18.998 > 85 88 F 0.87252881350587 0.72277711474280 0.32422626932135 18.998 > 85 89 F 0.37252881350587 0.02722288525720 0.82422626932135 18.998 > 89 90 F 0.87252881350587 0.02722288525720 0.82422626932135 18.998 > 89 91 F 0.37252881350587 0.52722288525720 0.82422626932135 18.998 > 89 92 F 0.87252881350587 0.52722288525720 0.82422626932135 18.998 > 89 93 F 0.12747118649413 0.27722288525720 0.67577373067865 18.998 > 93 94 F 0.62747118649413 0.27722288525720 0.67577373067865 18.998 > 93 95 F 0.12747118649413 0.77722288525720 0.67577373067865 18.998 > 93 96 F 0.62747118649413 0.77722288525720 0.67577373067865 18.998 > 93 97 F 0.01648067570134 0.29553389570121 0.23215307359368 18.998 > 97 98 F 0.51648067570134 0.29553389570121 0.23215307359368 18.998 > 97 99 F 0.01648067570134 0.79553389570121 0.23215307359368 18.998 > 97 100 F 0.51648067570134 0.79553389570121 0.23215307359368 18.998 > 97 101 F 0.48351932429866 0.04553389570121 0.26784692640632 18.998 > 101 102 F 0.98351932429866 0.04553389570121 0.26784692640632 18.998 > 101 103 F 0.48351932429866 0.54553389570121 0.26784692640632 18.998 > 101 104 F 0.98351932429866 0.54553389570121 0.26784692640632 18.998 > 101 105 F 0.48351932429866 0.20446610429879 0.76784692640632 18.998 > 105 106 F 0.98351932429866 0.20446610429879 0.76784692640632 18.998 > 105 107 F 0.48351932429866 0.70446610429879 0.76784692640632 18.998 > 105 108 F 0.98351932429866 0.70446610429879 0.76784692640632 18.998 > 105 109 F 0.01648067570134 0.45446610429879 0.73215307359368 18.998 > 109 110 F 0.51648067570134 0.45446610429879 0.73215307359368 18.998 > 109 111 F 0.01648067570134 0.95446610429879 0.73215307359368 18.998 > 109 112 F 0.51648067570134 0.95446610429879 0.73215307359368 18.998 > 109 113 Dy 0.09312731980681 0.11967218803559 0.76420898660321 162.500 > 113 114 Dy 0.59312731980681 0.11967218803559 0.76420898660321 162.500 > 113 115 Dy 0.09312731980681 0.61967218803559 0.76420898660321 162.500 > 113 116 Dy 0.59312731980681 0.61967218803559 0.76420898660321 162.500 > 113 117 Dy 0.40687268019319 0.36967218803559 0.73579101339679 162.500 > 117 118 Dy 0.90687268019319 0.36967218803559 0.73579101339679 162.500 > 117 119 Dy 0.40687268019319 0.86967218803559 0.73579101339679 162.500 > 117 120 Dy 0.90687268019319 0.86967218803559 0.73579101339679 162.500 > 117 121 Dy 0.40687268019319 0.38032781196441 0.23579101339679 162.500 > 121 122 Dy 0.90687268019319 0.38032781196441 0.23579101339679 162.500 > 121 123 Dy 0.40687268019319 0.88032781196441 0.23579101339679 162.500 > 121 124 Dy 0.90687268019319 0.88032781196441 0.23579101339679 162.500 > 121 125 Dy 0.09312731980681 0.13032781196441 0.26420898660321 162.500 > 125 126 Dy 0.59312731980681 0.13032781196441 0.26420898660321 162.500 > 125 127 Dy 0.09312731980681 0.63032781196441 0.26420898660321 162.500 > 125 128 Dy 0.59312731980681 0.63032781196441 0.26420898660321 162.500 > 125 129 Pt 0.36407200842804 0.12128685249186 0.95759277302553 195.084 > 129 130 Pt 0.86407200842804 0.12128685249186 0.95759277302553 195.084 > 129 131 Pt 0.36407200842804 0.62128685249186 0.95759277302553 195.084 > 129 132 Pt 0.86407200842804 0.62128685249186 0.95759277302553 195.084 > 129 133 Pt 0.13592799157196 0.37128685249186 0.54240722697447 195.084 > 133 134 Pt 0.63592799157196 0.37128685249186 0.54240722697447 195.084 > 133 135 Pt 0.13592799157196 0.87128685249186 0.54240722697447 195.084 > 133 136 Pt 0.63592799157196 0.87128685249186 0.54240722697447 195.084 > 133 137 Pt 0.13592799157196 0.37871314750814 0.04240722697447 195.084 > 137 138 Pt 0.63592799157196 0.37871314750814 0.04240722697447 195.084 > 137 139 Pt 0.13592799157196 0.87871314750814 0.04240722697447 195.084 > 137 140 Pt 0.63592799157196 0.87871314750814 0.04240722697447 195.084 > 137 141 Pt 0.36407200842804 0.12871314750814 0.45759277302553 195.084 > 141 142 Pt 0.86407200842804 0.12871314750814 0.45759277302553 195.084 > 141 143 Pt 0.36407200842804 0.62871314750814 0.45759277302553 195.084 > 141 144 Pt 0.86407200842804 0.62871314750814 0.45759277302553 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8711662 0.0000000 0.0063080 0.0000000 2.8500068 0.0000000 0.0063078 0.0000000 2.8714753 -------------------------- Born effective charges -------------------------- 1 F -0.5482953 0.3857917 0.4356534 0.2573189 -1.1494687 -0.7641174 0.3038749 -0.8165787 -1.2494158 2 F -0.5482953 -0.3857917 0.4356534 -0.2573189 -1.1494687 0.7641174 0.3038749 0.8165787 -1.2494158 3 F -0.5482953 0.3857917 0.4356534 0.2573189 -1.1494687 -0.7641174 0.3038749 -0.8165787 -1.2494158 4 F -0.5482953 -0.3857917 0.4356534 -0.2573189 -1.1494687 0.7641174 0.3038749 0.8165787 -1.2494158 5 F -0.4564773 0.3439391 0.3084173 0.3005346 -1.3583374 -0.9582581 0.2032677 -0.7838788 -1.1900900 6 F -0.4564773 -0.3439391 0.3084173 -0.3005346 -1.3583374 0.9582581 0.2032677 0.7838788 -1.1900900 7 F -0.4564773 0.3439391 0.3084173 0.3005346 -1.3583374 -0.9582581 0.2032677 -0.7838788 -1.1900900 8 F -0.4564773 -0.3439391 0.3084173 -0.3005346 -1.3583374 0.9582581 0.2032677 0.7838788 -1.1900900 9 F -2.0640342 -0.0105329 -0.9004045 -0.0685107 -0.4099615 -0.0514502 -0.9663014 -0.0231568 -0.9594399 10 F -2.0640342 0.0105329 -0.9004045 0.0685107 -0.4099615 0.0514502 -0.9663014 0.0231568 -0.9594399 11 F -2.0640342 -0.0105329 -0.9004045 -0.0685107 -0.4099615 -0.0514502 -0.9663014 -0.0231568 -0.9594399 12 F -2.0640342 0.0105329 -0.9004045 0.0685107 -0.4099615 0.0514502 -0.9663014 0.0231568 -0.9594399 13 F -1.1981096 0.0186388 -0.8431094 -0.0489893 -0.3435707 -0.0506272 -0.6616750 -0.0105549 -1.2088156 14 F -1.1981096 -0.0186388 -0.8431094 0.0489893 -0.3435707 0.0506272 -0.6616750 0.0105549 -1.2088156 15 F -1.1981096 0.0186388 -0.8431094 -0.0489893 -0.3435707 -0.0506272 -0.6616750 -0.0105549 -1.2088156 16 F -1.1981096 -0.0186388 -0.8431094 0.0489893 -0.3435707 0.0506272 -0.6616750 0.0105549 -1.2088156 17 F -0.7665817 0.5110595 0.3764913 0.6432623 -1.3760581 -0.7953572 0.4562276 -0.7039882 -0.9519884 18 F -0.7665817 -0.5110595 0.3764913 -0.6432623 -1.3760581 0.7953572 0.4562276 0.7039882 -0.9519884 19 F -0.7665817 0.5110595 0.3764913 0.6432623 -1.3760581 -0.7953572 0.4562276 -0.7039882 -0.9519884 20 F -0.7665817 -0.5110595 0.3764913 -0.6432623 -1.3760581 0.7953572 0.4562276 0.7039882 -0.9519884 21 F -0.8819022 0.6615252 0.5548689 0.6359019 -1.2864073 -0.7353514 0.6522180 -0.8565116 -1.2004132 22 F -0.8819022 -0.6615252 0.5548689 -0.6359019 -1.2864073 0.7353514 0.6522180 0.8565116 -1.2004132 23 F -0.8819022 0.6615252 0.5548689 0.6359019 -1.2864073 -0.7353514 0.6522180 -0.8565116 -1.2004132 24 F -0.8819022 -0.6615252 0.5548689 -0.6359019 -1.2864073 0.7353514 0.6522180 0.8565116 -1.2004132 25 F -1.5262101 0.7062691 -0.0848285 0.7602992 -1.4408748 0.0482006 -0.0317711 0.0150637 -0.7691840 26 F -1.5262101 -0.7062691 -0.0848285 -0.7602992 -1.4408748 -0.0482006 -0.0317711 -0.0150637 -0.7691840 27 F -1.5262101 0.7062691 -0.0848285 0.7602992 -1.4408748 0.0482006 -0.0317711 0.0150637 -0.7691840 28 F -1.5262101 -0.7062691 -0.0848285 -0.7602992 -1.4408748 -0.0482006 -0.0317711 -0.0150637 -0.7691840 29 Dy 4.3770539 0.1781448 0.1628981 -0.0807606 4.3279255 -0.0303197 -0.0105515 -0.0381268 4.4738250 30 Dy 4.3770539 -0.1781448 0.1628981 0.0807606 4.3279255 0.0303197 -0.0105515 0.0381268 4.4738250 31 Dy 4.3770539 0.1781448 0.1628981 -0.0807606 4.3279255 -0.0303197 -0.0105515 -0.0381268 4.4738250 32 Dy 4.3770539 -0.1781448 0.1628981 0.0807606 4.3279255 0.0303197 -0.0105515 0.0381268 4.4738250 33 Pt 3.0645564 0.0228355 -0.0099867 -0.0597080 3.0367531 0.0888382 0.0547108 -0.0996813 3.0555219 34 Pt 3.0645564 -0.0228355 -0.0099867 0.0597080 3.0367531 -0.0888382 0.0547108 0.0996813 3.0555219 35 Pt 3.0645564 0.0228355 -0.0099867 -0.0597080 3.0367531 0.0888382 0.0547108 -0.0996813 3.0555219 36 Pt 3.0645564 -0.0228355 -0.0099867 0.0597080 3.0367531 -0.0888382 0.0547108 0.0996813 3.0555219 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 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 1.873 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.325 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.825 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 7.976 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.151 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.241 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.532 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.517 ( 0.000 0.000 0.000) 0.000 14.013 ( 0.000 0.000 0.000) 0.000 14.437 ( 0.000 0.000 0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 16.976 ( 0.000 0.000 0.000) 0.000 16.979 ( 0.000 0.000 0.000) 0.000 16.984 ( 0.000 0.000 0.000) 0.000 17.279 ( 0.000 0.000 0.000) 0.000 17.301 ( 0.000 0.000 0.000) 0.000 17.425 ( 0.000 0.000 0.000) 0.000 17.436 ( 0.000 0.000 0.000) 0.000 17.493 ( 0.000 0.000 0.000) 0.000 17.630 ( 0.000 0.000 0.000) 0.000 17.857 ( 0.000 0.000 0.000) 0.000 18.063 ( 0.000 0.000 0.000) 0.000 18.107 ( 0.000 0.000 0.000) 0.000 18.113 ( 0.000 0.000 0.000) 0.000 18.139 ( 0.000 0.000 0.000) 0.000 18.194 ( 0.000 0.000 0.000) 0.000 18.288 ( 0.000 0.000 0.000) 0.000 18.725 ( 0.000 0.000 0.000) 0.000 18.802 ( 0.000 0.000 0.000) 0.000 19.081 ( 0.000 0.000 0.000) 0.000 19.325 ( 0.000 0.000 0.000) 0.000 19.478 ( 0.000 0.000 0.000) 0.000 19.858 ( 0.000 0.000 0.000) 0.000 20.037 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 20.221 0.000 1.126) 20.252 0.420 ( 19.760 0.000 3.273) 20.029 0.988 ( 38.887 0.000 21.888) 44.624 1.832 ( -4.279 0.000 -18.445) 18.935 1.910 ( -0.497 0.000 -3.495) 3.531 2.021 ( -10.020 0.000 -4.048) 10.807 2.115 ( 3.343 0.000 1.154) 3.537 2.252 ( -6.525 0.000 0.981) 6.598 2.276 ( 5.741 0.000 -2.382) 6.216 2.370 ( 0.374 0.000 1.291) 1.344 2.378 ( -1.333 0.000 -1.275) 1.845 2.528 ( 0.393 0.000 0.338) 0.518 2.734 ( -6.289 0.000 -0.152) 6.291 2.737 ( -0.081 0.000 0.609) 0.614 2.884 ( 10.088 0.000 5.460) 11.471 3.072 ( -2.839 0.000 -2.145) 3.558 3.159 ( 0.928 0.000 -5.627) 5.703 3.257 ( -3.460 0.000 5.318) 6.344 3.423 ( -1.781 0.000 -0.395) 1.824 3.464 ( 0.001 0.000 9.556) 9.556 3.475 ( 0.174 0.000 -2.810) 2.816 3.527 ( 2.163 0.000 -3.367) 4.002 3.679 ( 3.198 0.000 -1.787) 3.664 3.853 ( -2.190 0.000 -0.065) 2.191 3.941 ( 3.426 0.000 -2.219) 4.082 4.126 ( 1.287 0.000 -4.405) 4.589 4.169 ( -3.800 0.000 -3.480) 5.152 4.187 ( 1.344 0.000 5.317) 5.484 4.240 ( -0.552 0.000 7.317) 7.337 4.284 ( 0.649 0.000 -1.763) 1.878 4.430 ( -2.129 0.000 -3.069) 3.735 4.457 ( -2.271 0.000 1.833) 2.919 4.583 ( 1.047 0.000 -1.260) 1.638 4.607 ( -0.892 0.000 -4.167) 4.262 4.706 ( -2.236 0.000 -3.653) 4.283 4.853 ( 4.249 0.000 -10.649) 11.465 4.894 ( -2.434 0.000 3.124) 3.961 4.988 ( 0.852 0.000 9.879) 9.916 5.400 ( -0.769 0.000 -4.656) 4.719 5.596 ( -2.366 0.000 -5.030) 5.558 5.707 ( -6.224 0.000 3.004) 6.911 5.846 ( -7.536 0.000 -3.897) 8.484 6.000 ( 1.791 0.000 7.266) 7.484 6.023 ( 0.185 0.000 0.187) 0.263 6.107 ( -12.440 0.000 12.055) 17.322 6.224 ( 1.719 0.000 5.396) 5.663 6.361 ( -8.737 0.000 -0.685) 8.764 6.371 ( 2.167 0.000 -7.642) 7.943 6.410 ( 2.630 0.000 7.402) 7.855 6.483 ( -0.693 0.000 4.646) 4.697 6.607 ( -0.794 0.000 7.692) 7.733 6.734 ( 1.371 0.000 0.014) 1.371 6.883 ( 1.419 0.000 0.516) 1.510 6.892 ( 3.489 0.000 -2.315) 4.188 7.000 ( 3.411 0.000 8.904) 9.535 7.116 ( 0.046 0.000 2.144) 2.144 7.222 ( -0.223 0.000 1.865) 1.878 7.302 ( 0.614 0.000 -0.239) 0.659 7.441 ( 0.762 0.000 -4.065) 4.136 7.481 ( -0.654 0.000 1.792) 1.908 7.538 ( -1.348 0.000 1.117) 1.751 7.603 ( 0.007 0.000 0.826) 0.826 7.685 ( -1.128 0.000 -1.552) 1.919 7.832 ( 2.572 0.000 2.135) 3.343 7.980 ( 0.692 0.000 -0.092) 0.698 7.991 ( -0.802 0.000 -1.713) 1.892 8.070 ( -0.536 0.000 -4.152) 4.186 8.142 ( -1.166 0.000 0.602) 1.312 8.225 ( -1.560 0.000 -1.427) 2.114 8.232 ( -0.329 0.000 -0.881) 0.941 8.305 ( -1.014 0.000 0.203) 1.034 8.400 ( 1.306 0.000 1.000) 1.645 8.473 ( -1.605 0.000 -4.577) 4.851 8.599 ( 1.182 0.000 -2.189) 2.488 8.631 ( -1.935 0.000 2.581) 3.226 8.710 ( -0.239 0.000 4.158) 4.164 8.836 ( 2.494 0.000 -0.525) 2.548 8.925 ( -0.894 0.000 -4.398) 4.488 9.254 ( 2.086 0.000 2.831) 3.516 9.257 ( -1.314 0.000 1.460) 1.964 12.505 ( -0.067 0.000 -0.129) 0.146 12.520 ( 0.211 0.000 0.101) 0.234 14.043 ( 2.606 0.000 0.531) 2.659 14.836 ( 0.599 0.000 -17.960) 17.970 16.943 ( 5.876 0.000 3.188) 6.685 16.985 ( 1.066 0.000 -1.859) 2.143 16.996 ( 0.891 0.000 -1.061) 1.385 17.038 ( 5.016 0.000 2.196) 5.476 17.292 ( 1.815 0.000 -4.353) 4.716 17.330 ( 3.158 0.000 -4.488) 5.488 17.414 ( -0.785 0.000 -0.078) 0.789 17.453 ( 2.336 0.000 -1.378) 2.713 17.680 ( 1.551 0.000 5.514) 5.728 17.859 ( 0.121 0.000 0.080) 0.145 18.005 ( -4.748 0.000 -0.873) 4.828 18.074 ( -2.443 0.000 -1.722) 2.988 18.128 ( 0.278 0.000 0.812) 0.858 18.152 ( 1.036 0.000 0.857) 1.344 18.179 ( -1.615 0.000 0.887) 1.842 18.285 ( -0.411 0.000 0.102) 0.423 18.718 ( 2.723 0.000 -0.187) 2.729 18.807 ( 0.893 0.000 -0.643) 1.100 19.043 ( -3.729 0.000 -0.038) 3.730 19.157 ( -8.662 0.000 13.410) 15.965 19.467 ( 0.044 0.000 -0.927) 0.928 19.798 ( -3.242 0.000 -4.848) 5.832 19.809 ( 0.925 0.000 -0.769) 1.202 20.002 ( -3.193 0.000 -0.274) 3.204 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 19.320 0.000 3.846) 19.699 0.797 ( 15.732 0.000 2.822) 15.983 1.536 ( -2.019 0.000 -19.311) 19.416 1.641 ( -7.820 0.000 -3.889) 8.734 1.834 ( -7.771 0.000 -2.636) 8.206 1.961 ( 25.632 0.000 14.919) 29.658 2.005 ( -9.879 0.000 -4.887) 11.022 2.142 ( 2.103 0.000 -1.756) 2.740 2.355 ( 4.742 0.000 -4.769) 6.725 2.462 ( 5.181 0.000 8.249) 9.741 2.544 ( 1.020 0.000 0.854) 1.330 2.559 ( -0.798 0.000 5.565) 5.622 2.654 ( 6.597 0.000 5.897) 8.849 2.745 ( 1.526 0.000 -3.110) 3.464 2.975 ( -4.793 0.000 -1.628) 5.062 3.054 ( -6.465 0.000 -2.316) 6.867 3.069 ( 3.396 0.000 -0.195) 3.402 3.231 ( -3.175 0.000 7.158) 7.831 3.310 ( -11.360 0.000 -4.981) 12.404 3.427 ( 3.076 0.000 -0.583) 3.131 3.488 ( -1.455 0.000 -4.446) 4.678 3.657 ( 7.040 0.000 5.646) 9.024 3.740 ( 3.230 0.000 1.037) 3.392 3.822 ( -4.278 0.000 -1.204) 4.444 3.945 ( -1.296 0.000 -3.146) 3.402 4.002 ( -5.034 0.000 -5.584) 7.518 4.120 ( -0.715 0.000 -2.499) 2.600 4.149 ( 1.843 0.000 1.057) 2.125 4.302 ( -0.552 0.000 6.798) 6.820 4.378 ( -1.029 0.000 -2.749) 2.935 4.388 ( -0.324 0.000 1.670) 1.701 4.431 ( -0.460 0.000 -0.237) 0.517 4.540 ( 0.758 0.000 -1.987) 2.127 4.585 ( 4.407 0.000 -4.597) 6.368 4.683 ( 0.178 0.000 -0.110) 0.210 4.797 ( -4.402 0.000 -0.575) 4.440 4.911 ( 0.582 0.000 4.707) 4.743 5.098 ( 0.215 0.000 9.481) 9.483 5.320 ( -0.784 0.000 -7.473) 7.514 5.480 ( -3.632 0.000 -5.401) 6.509 5.638 ( -8.010 0.000 -4.836) 9.357 5.652 ( -1.939 0.000 0.966) 2.166 5.994 ( -8.673 0.000 8.792) 12.350 6.024 ( -1.082 0.000 1.788) 2.090 6.071 ( 2.713 0.000 -3.072) 4.098 6.203 ( -5.380 0.000 -2.129) 5.786 6.297 ( 0.867 0.000 3.711) 3.811 6.360 ( 2.662 0.000 -4.330) 5.083 6.499 ( -0.510 0.000 1.146) 1.254 6.519 ( 2.162 0.000 3.499) 4.113 6.717 ( 5.074 0.000 5.290) 7.331 6.783 ( 2.740 0.000 0.281) 2.754 6.918 ( 0.573 0.000 -1.131) 1.267 6.946 ( 4.055 0.000 1.751) 4.417 7.126 ( -1.586 0.000 1.397) 2.114 7.147 ( 4.685 0.000 3.796) 6.030 7.192 ( -2.522 0.000 -0.768) 2.637 7.303 ( -0.925 0.000 -0.100) 0.930 7.419 ( 1.048 0.000 -3.019) 3.195 7.485 ( -1.570 0.000 2.451) 2.910 7.523 ( -1.319 0.000 1.203) 1.785 7.590 ( -1.629 0.000 -0.349) 1.666 7.662 ( -0.217 0.000 -0.945) 0.969 7.883 ( 0.857 0.000 1.031) 1.341 7.964 ( 0.039 0.000 -1.674) 1.674 8.006 ( 1.473 0.000 0.788) 1.671 8.012 ( -1.870 0.000 -1.672) 2.508 8.131 ( -0.277 0.000 0.775) 0.823 8.188 ( -0.776 0.000 -1.003) 1.268 8.215 ( -0.610 0.000 -0.434) 0.749 8.280 ( -1.520 0.000 -0.385) 1.568 8.419 ( -0.194 0.000 -2.662) 2.669 8.437 ( 0.832 0.000 1.987) 2.154 8.601 ( 0.826 0.000 -1.284) 1.527 8.612 ( -1.699 0.000 0.822) 1.888 8.710 ( -1.980 0.000 0.934) 2.189 8.879 ( 2.132 0.000 -0.408) 2.170 8.893 ( 0.739 0.000 -1.790) 1.937 9.247 ( -0.879 0.000 0.800) 1.189 9.311 ( 1.225 0.000 1.739) 2.127 12.503 ( -0.050 0.000 -0.112) 0.123 12.525 ( 0.222 0.000 0.104) 0.245 14.105 ( 2.735 0.000 0.559) 2.792 14.662 ( -3.456 0.000 -8.251) 8.945 16.987 ( 0.610 0.000 -1.023) 1.191 17.003 ( 0.269 0.000 0.152) 0.309 17.115 ( 6.967 0.000 4.232) 8.152 17.179 ( 5.527 0.000 3.092) 6.333 17.286 ( 1.092 0.000 -2.423) 2.658 17.342 ( 1.637 0.000 -2.180) 2.726 17.393 ( -0.953 0.000 -0.912) 1.319 17.507 ( 5.089 0.000 -1.152) 5.217 17.759 ( 0.853 0.000 4.335) 4.418 17.862 ( 0.097 0.000 0.117) 0.152 17.891 ( -6.149 0.000 0.204) 6.153 17.975 ( -5.048 0.000 -2.915) 5.829 18.139 ( 0.227 0.000 0.467) 0.519 18.161 ( -1.099 0.000 0.674) 1.289 18.192 ( 2.006 0.000 0.937) 2.214 18.272 ( -1.046 0.000 -0.044) 1.047 18.793 ( 5.153 0.000 -0.084) 5.153 18.824 ( 1.764 0.000 -0.926) 1.992 18.954 ( -4.886 0.000 -0.305) 4.896 19.084 ( -8.124 0.000 4.194) 9.142 19.483 ( 1.416 0.000 0.895) 1.675 19.676 ( -3.339 0.000 -4.615) 5.696 19.814 ( -0.306 0.000 0.585) 0.660 19.930 ( -3.277 0.000 -0.443) 3.306 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 0.000 0.000) 0.000 1.100 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.794 ( -0.000 0.000 -0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.967 ( -0.000 0.000 -0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 -0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 -0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.256 ( -0.000 0.000 -0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 -0.000) 0.000 4.341 ( -0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 -0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.699 ( -0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.103 ( -0.000 0.000 -0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.326 ( -0.000 0.000 -0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.832 ( -0.000 0.000 -0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.057 ( -0.000 0.000 -0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.249 ( -0.000 0.000 -0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 -0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 -0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.029 ( 0.000 0.000 0.000) 0.000 8.140 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.208 ( 0.000 0.000 -0.000) 0.000 8.255 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.595 ( -0.000 0.000 0.000) 0.000 8.603 ( 0.000 0.000 -0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.895 ( 0.000 0.000 0.000) 0.000 8.898 ( 0.000 0.000 0.000) 0.000 9.242 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 12.528 ( 0.000 0.000 0.000) 0.000 14.137 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 16.987 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.225 ( 0.000 0.000 -0.000) 0.000 17.252 ( 0.000 0.000 0.000) 0.000 17.285 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 0.000) 0.000 17.370 ( 0.000 0.000 0.000) 0.000 17.585 ( 0.000 0.000 0.000) 0.000 17.789 ( 0.000 0.000 -0.000) 0.000 17.815 ( 0.000 0.000 0.000) 0.000 17.864 ( 0.000 0.000 0.000) 0.000 17.887 ( 0.000 0.000 0.000) 0.000 18.146 ( 0.000 0.000 0.000) 0.000 18.151 ( -0.000 0.000 0.000) 0.000 18.231 ( -0.000 0.000 -0.000) 0.000 18.249 ( 0.000 0.000 0.000) 0.000 18.856 ( 0.000 0.000 0.000) 0.000 18.876 ( 0.000 0.000 0.000) 0.000 18.880 ( -0.000 0.000 0.000) 0.000 18.988 ( 0.000 0.000 0.000) 0.000 19.508 ( 0.000 0.000 0.000) 0.000 19.617 ( 0.000 0.000 0.000) 0.000 19.813 ( 0.000 0.000 0.000) 0.000 19.893 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 0.000 19.603 0.000) 19.603 0.658 ( 0.000 31.829 0.000) 31.829 0.709 ( 0.000 33.993 0.000) 33.993 1.823 ( 0.000 -4.740 0.000) 4.740 2.049 ( 0.000 1.995 0.000) 1.995 2.072 ( 0.000 -1.761 0.000) 1.761 2.179 ( 0.000 3.047 0.000) 3.047 2.241 ( 0.000 4.714 0.000) 4.714 2.288 ( 0.000 3.352 0.000) 3.352 2.390 ( 0.000 -6.453 0.000) 6.453 2.539 ( 0.000 12.441 0.000) 12.441 2.683 ( 0.000 6.382 0.000) 6.382 2.716 ( 0.000 1.090 0.000) 1.090 2.807 ( 0.000 -0.232 0.000) 0.232 2.809 ( 0.000 10.415 0.000) 10.415 3.096 ( 0.000 -4.704 0.000) 4.704 3.107 ( 0.000 0.640 0.000) 0.640 3.234 ( 0.000 -0.678 0.000) 0.678 3.326 ( 0.000 -5.125 0.000) 5.125 3.375 ( 0.000 5.466 0.000) 5.466 3.426 ( 0.000 -5.992 0.000) 5.992 3.567 ( 0.000 4.787 0.000) 4.787 3.734 ( 0.000 6.443 0.000) 6.443 3.968 ( 0.000 -1.713 0.000) 1.713 3.986 ( 0.000 -1.179 0.000) 1.179 4.037 ( 0.000 -7.310 0.000) 7.310 4.172 ( 0.000 -1.302 0.000) 1.302 4.216 ( 0.000 -1.022 0.000) 1.022 4.328 ( 0.000 0.814 0.000) 0.814 4.372 ( 0.000 -9.947 0.000) 9.947 4.400 ( 0.000 -2.227 0.000) 2.227 4.468 ( 0.000 -1.214 0.000) 1.214 4.555 ( 0.000 0.345 0.000) 0.345 4.575 ( 0.000 -3.500 0.000) 3.500 4.778 ( 0.000 2.966 0.000) 2.966 4.841 ( 0.000 4.032 0.000) 4.032 4.934 ( 0.000 2.521 0.000) 2.521 5.116 ( 0.000 -0.898 0.000) 0.898 5.347 ( 0.000 -3.796 0.000) 3.796 5.493 ( 0.000 -1.212 0.000) 1.212 5.628 ( 0.000 -2.167 0.000) 2.167 5.820 ( 0.000 1.016 0.000) 1.016 5.905 ( 0.000 -3.642 0.000) 3.642 6.040 ( 0.000 -6.631 0.000) 6.631 6.060 ( 0.000 -3.870 0.000) 3.870 6.157 ( 0.000 -7.837 0.000) 7.837 6.184 ( 0.000 1.131 0.000) 1.131 6.441 ( 0.000 -3.040 0.000) 3.040 6.494 ( 0.000 1.683 0.000) 1.683 6.533 ( 0.000 6.786 0.000) 6.786 6.615 ( 0.000 7.170 0.000) 7.170 6.819 ( 0.000 -2.257 0.000) 2.257 6.830 ( 0.000 -4.617 0.000) 4.617 6.871 ( 0.000 1.638 0.000) 1.638 7.033 ( 0.000 0.895 0.000) 0.895 7.079 ( 0.000 -1.893 0.000) 1.893 7.183 ( 0.000 0.929 0.000) 0.929 7.336 ( 0.000 2.562 0.000) 2.562 7.374 ( 0.000 -1.706 0.000) 1.706 7.422 ( 0.000 -4.014 0.000) 4.014 7.583 ( 0.000 -0.944 0.000) 0.944 7.588 ( 0.000 3.511 0.000) 3.511 7.752 ( 0.000 0.947 0.000) 0.947 7.823 ( 0.000 3.941 0.000) 3.941 7.943 ( 0.000 -2.722 0.000) 2.722 7.985 ( 0.000 -2.323 0.000) 2.323 8.094 ( 0.000 1.385 0.000) 1.385 8.128 ( 0.000 -2.626 0.000) 2.626 8.217 ( 0.000 -3.126 0.000) 3.126 8.257 ( 0.000 1.487 0.000) 1.487 8.304 ( 0.000 1.036 0.000) 1.036 8.322 ( 0.000 1.055 0.000) 1.055 8.525 ( 0.000 -1.025 0.000) 1.025 8.583 ( 0.000 -1.592 0.000) 1.592 8.592 ( 0.000 -2.887 0.000) 2.887 8.697 ( 0.000 1.337 0.000) 1.337 8.861 ( 0.000 4.136 0.000) 4.136 8.993 ( 0.000 1.084 0.000) 1.084 9.194 ( 0.000 -1.165 0.000) 1.165 9.255 ( 0.000 -0.295 0.000) 0.295 12.593 ( 0.000 7.249 0.000) 7.249 13.139 ( 0.000 1.178 0.000) 1.178 13.990 ( 0.000 -2.338 0.000) 2.338 14.368 ( 0.000 -6.550 0.000) 6.550 16.973 ( 0.000 1.029 0.000) 1.029 16.994 ( 0.000 0.833 0.000) 0.833 17.023 ( 0.000 2.426 0.000) 2.426 17.062 ( 0.000 1.001 0.000) 1.001 17.289 ( 0.000 1.370 0.000) 1.370 17.319 ( 0.000 1.806 0.000) 1.806 17.418 ( 0.000 -0.788 0.000) 0.788 17.539 ( 0.000 3.525 0.000) 3.525 17.614 ( 0.000 -1.454 0.000) 1.454 17.833 ( 0.000 -2.523 0.000) 2.523 17.998 ( 0.000 0.496 0.000) 0.496 18.041 ( 0.000 -3.151 0.000) 3.151 18.100 ( 0.000 -0.984 0.000) 0.984 18.114 ( 0.000 -0.765 0.000) 0.765 18.176 ( 0.000 -1.257 0.000) 1.257 18.254 ( 0.000 -2.398 0.000) 2.398 18.745 ( 0.000 1.740 0.000) 1.740 18.782 ( 0.000 0.806 0.000) 0.806 19.048 ( 0.000 -2.762 0.000) 2.762 19.356 ( 0.000 2.698 0.000) 2.698 19.382 ( 0.000 -5.971 0.000) 5.971 19.584 ( 0.000 2.933 0.000) 2.933 19.802 ( 0.000 -5.306 0.000) 5.306 20.002 ( 0.000 -3.991 0.000) 3.991 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 5.870 21.457 11.061) 24.844 0.785 ( 15.425 23.997 -0.939) 28.542 1.130 ( 32.009 15.355 15.083) 38.573 1.797 ( 0.640 -4.264 -11.594) 12.369 1.936 ( -4.653 2.754 -10.300) 11.633 2.063 ( -7.093 1.300 -2.944) 7.789 2.107 ( -0.843 1.892 1.300) 2.446 2.197 ( -1.750 -1.273 0.285) 2.183 2.299 ( -1.027 3.572 -3.031) 4.796 2.378 ( 4.790 1.295 0.348) 4.974 2.569 ( -5.606 11.450 1.463) 12.832 2.605 ( 1.483 6.081 -0.730) 6.302 2.672 ( -3.138 -3.198 1.552) 4.742 2.788 ( -1.738 3.433 0.159) 3.851 2.899 ( 4.147 0.526 2.278) 4.760 3.060 ( -4.147 -1.594 -1.414) 4.662 3.123 ( 2.959 1.368 0.622) 3.319 3.282 ( -0.456 -3.622 1.322) 3.883 3.345 ( -3.423 -4.703 2.922) 6.509 3.394 ( -0.084 1.761 1.448) 2.281 3.418 ( 4.581 -3.892 0.597) 6.041 3.605 ( 2.971 4.552 0.269) 5.442 3.730 ( -1.458 7.127 0.984) 7.340 3.928 ( 0.876 0.806 -4.391) 4.550 3.997 ( -0.905 -6.446 -3.263) 7.281 4.064 ( 0.823 -1.355 -0.111) 1.589 4.151 ( -6.676 0.265 0.052) 6.681 4.191 ( -3.690 1.016 -3.368) 5.099 4.217 ( -0.197 -3.532 3.523) 4.992 4.298 ( 1.420 -0.480 -1.777) 2.325 4.400 ( -0.654 -4.295 2.002) 4.783 4.431 ( -0.701 -0.199 -2.908) 2.998 4.550 ( 1.118 -2.060 -0.381) 2.375 4.586 ( -0.315 -0.232 -0.778) 0.871 4.738 ( -2.411 2.602 -2.419) 4.294 4.859 ( 0.700 1.027 -1.888) 2.260 4.981 ( -0.784 3.525 -0.649) 3.669 5.008 ( 0.023 3.143 4.596) 5.569 5.377 ( 0.476 -2.111 -1.526) 2.648 5.571 ( -0.442 -3.370 -1.348) 3.656 5.640 ( -3.550 -3.102 -1.604) 4.979 5.831 ( 0.927 -3.779 3.346) 5.132 5.848 ( -6.553 -4.871 8.017) 11.443 6.040 ( -1.392 -5.153 0.809) 5.399 6.071 ( 1.362 -1.902 -2.449) 3.387 6.195 ( -2.563 -1.463 1.852) 3.484 6.289 ( 5.113 -6.643 8.671) 12.060 6.356 ( -3.860 -1.276 0.583) 4.107 6.413 ( -1.205 2.849 -6.360) 7.073 6.539 ( -1.330 2.881 1.632) 3.568 6.655 ( 2.321 4.600 -1.014) 5.251 6.802 ( -1.424 1.136 1.148) 2.153 6.856 ( 1.349 -2.773 1.834) 3.588 6.952 ( 2.869 -2.709 4.801) 6.214 6.972 ( -1.041 5.075 0.926) 5.263 7.108 ( 1.015 -0.197 2.521) 2.725 7.178 ( 0.104 -1.731 -0.660) 1.856 7.324 ( -1.064 0.346 0.579) 1.260 7.430 ( 3.206 -1.155 -0.217) 3.415 7.437 ( 0.853 -1.940 -0.984) 2.337 7.550 ( -2.082 0.568 0.936) 2.352 7.613 ( 0.906 1.595 0.155) 1.841 7.725 ( -0.988 3.200 -0.855) 3.457 7.856 ( 1.700 1.834 0.777) 2.618 7.948 ( 0.148 -2.744 0.525) 2.798 7.981 ( 0.974 -0.866 -1.310) 1.848 8.084 ( -0.905 0.099 -2.151) 2.336 8.125 ( -0.324 -1.727 0.389) 1.799 8.195 ( -1.502 -2.948 -0.051) 3.309 8.219 ( -1.604 0.885 -1.704) 2.501 8.307 ( -1.337 0.184 0.508) 1.442 8.386 ( 3.433 -0.199 1.655) 3.817 8.478 ( -1.416 0.182 -3.932) 4.183 8.580 ( 1.196 -1.792 -1.681) 2.733 8.600 ( -1.427 -2.229 2.568) 3.688 8.723 ( -0.137 0.730 3.650) 3.725 8.876 ( 1.922 3.461 -1.162) 4.126 8.941 ( -1.517 1.306 -4.214) 4.665 9.233 ( 1.051 -1.411 2.037) 2.691 9.258 ( 0.186 -0.316 1.481) 1.526 12.598 ( 0.176 7.422 0.300) 7.430 12.791 ( -12.489 16.752 -4.538) 21.382 14.021 ( 2.572 -2.267 0.559) 3.474 14.567 ( 7.166 -17.887 -6.365) 20.293 16.982 ( 1.056 1.429 0.588) 1.872 16.995 ( 0.378 0.957 -0.735) 1.264 17.012 ( 0.133 2.218 -0.472) 2.271 17.058 ( 3.371 1.301 0.956) 3.738 17.284 ( 1.145 -0.410 -4.365) 4.531 17.297 ( 1.787 -0.782 -2.675) 3.310 17.432 ( -0.354 0.245 2.012) 2.057 17.476 ( 0.566 2.776 -1.334) 3.132 17.710 ( 2.325 1.634 4.341) 5.188 17.826 ( -0.686 -3.232 -0.498) 3.341 18.010 ( -3.051 0.174 -0.189) 3.061 18.050 ( -0.266 -3.488 -0.023) 3.498 18.088 ( -1.116 -0.784 1.269) 1.863 18.113 ( 0.773 -2.829 0.380) 2.957 18.170 ( -0.808 -0.923 0.430) 1.299 18.248 ( -0.780 -2.705 0.383) 2.841 18.758 ( 2.327 2.682 -0.249) 3.560 18.802 ( 1.108 -0.014 0.265) 1.140 19.015 ( -3.008 -2.240 -0.219) 3.757 19.221 ( -8.516 2.492 5.950) 10.683 19.460 ( 2.356 -0.178 -0.394) 2.395 19.713 ( 4.039 -4.793 0.487) 6.287 19.756 ( -1.840 -4.250 -3.350) 5.716 19.975 ( -2.510 -3.143 -0.076) 4.023 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 9.574 15.714 11.111) 21.495 1.081 ( 16.565 20.143 -2.876) 26.237 1.576 ( -1.579 3.427 -17.979) 18.371 1.734 ( -4.175 7.953 -3.998) 9.832 1.849 ( -1.144 2.268 -1.230) 2.822 1.937 ( 8.036 -4.351 3.111) 9.653 2.021 ( -6.828 1.591 -2.416) 7.415 2.105 ( 6.725 1.862 2.384) 7.374 2.423 ( 1.922 -3.593 6.514) 7.683 2.440 ( -2.814 -0.934 5.615) 6.349 2.496 ( 7.563 5.111 -4.980) 10.398 2.646 ( -1.672 5.108 8.241) 9.839 2.705 ( 3.513 -1.823 -2.731) 4.808 2.794 ( 4.736 9.268 1.570) 10.526 2.911 ( -7.030 -5.948 2.908) 9.657 2.981 ( 0.041 -0.788 -1.612) 1.795 3.179 ( -2.138 -0.227 -0.859) 2.315 3.233 ( -4.832 2.237 -0.303) 5.333 3.284 ( -1.225 0.296 -0.149) 1.269 3.390 ( 0.834 -0.113 1.009) 1.314 3.507 ( 1.160 -0.844 -4.580) 4.800 3.634 ( -1.009 -1.017 0.950) 1.719 3.721 ( -0.099 1.400 2.055) 2.489 3.855 ( -3.835 0.390 -2.568) 4.632 3.976 ( 3.224 -1.564 -2.606) 4.431 4.011 ( -2.901 -0.306 -4.321) 5.214 4.059 ( -2.344 -0.552 -3.168) 3.979 4.137 ( -1.061 0.066 4.793) 4.910 4.280 ( 2.745 -7.379 1.032) 7.940 4.342 ( -2.462 0.306 1.628) 2.967 4.366 ( -2.142 -4.140 0.036) 4.662 4.412 ( 0.988 0.452 0.041) 1.087 4.539 ( 0.323 0.022 -1.777) 1.807 4.599 ( 4.416 1.228 -2.585) 5.262 4.707 ( -0.154 2.048 -0.015) 2.054 4.807 ( -4.198 1.120 -0.967) 4.451 4.964 ( -0.071 3.022 1.673) 3.455 5.114 ( 1.825 1.891 8.064) 8.481 5.354 ( -0.931 3.090 -3.034) 4.430 5.513 ( -2.203 2.209 -5.461) 6.289 5.542 ( -1.484 -5.194 -0.973) 5.489 5.723 ( -5.619 2.939 -2.997) 7.014 5.911 ( -2.246 -5.336 7.905) 9.798 6.010 ( -2.888 -3.746 1.828) 5.071 6.045 ( 0.412 -2.541 -3.829) 4.614 6.113 ( -3.256 -5.928 -1.266) 6.880 6.316 ( -2.819 -0.020 -0.895) 2.957 6.371 ( 1.904 1.224 0.215) 2.273 6.440 ( 0.761 -3.893 3.151) 5.066 6.574 ( 3.255 1.780 3.651) 5.206 6.699 ( 2.890 0.244 1.463) 3.249 6.813 ( 1.451 0.731 -0.884) 1.850 6.907 ( 0.751 -1.314 3.201) 3.540 6.982 ( 1.995 4.120 -1.563) 4.837 7.017 ( 0.268 -7.861 1.302) 7.973 7.105 ( -2.610 -3.241 -0.329) 4.174 7.219 ( 3.370 1.659 1.854) 4.189 7.322 ( 0.400 0.893 -0.219) 1.002 7.429 ( -0.093 0.284 -1.214) 1.250 7.462 ( -0.377 -0.839 1.039) 1.388 7.531 ( -1.143 0.576 1.422) 1.913 7.609 ( -0.761 1.497 -1.406) 2.190 7.704 ( -0.607 3.563 -0.724) 3.686 7.885 ( 1.056 0.578 0.018) 1.204 7.952 ( -0.238 -1.277 0.387) 1.355 8.005 ( 1.184 -0.388 0.094) 1.250 8.037 ( -1.236 0.991 -0.897) 1.821 8.125 ( 0.390 -0.386 0.019) 0.549 8.170 ( -0.599 -1.162 -1.036) 1.668 8.184 ( -1.024 -1.548 0.873) 2.051 8.276 ( -1.729 -0.424 -0.763) 1.937 8.422 ( -0.658 0.361 -2.765) 2.865 8.452 ( 1.626 0.729 2.070) 2.731 8.582 ( -1.210 -1.997 0.828) 2.477 8.597 ( 0.727 -0.494 -0.507) 1.015 8.736 ( -1.313 1.527 1.652) 2.605 8.891 ( 0.359 0.627 -2.245) 2.359 8.902 ( 1.452 1.678 -1.252) 2.548 9.239 ( -0.694 -0.777 0.763) 1.292 9.300 ( 1.179 -1.045 1.576) 2.228 12.596 ( -0.654 7.726 -0.274) 7.758 12.648 ( -2.077 11.457 -0.509) 11.655 14.082 ( 2.581 -2.437 0.581) 3.597 14.525 ( -1.532 -11.939 -5.755) 13.342 16.992 ( 0.500 0.275 -0.985) 1.138 17.010 ( 0.188 0.584 0.459) 0.766 17.077 ( 4.755 -2.933 1.967) 5.923 17.153 ( 3.871 -2.038 1.211) 4.539 17.280 ( 1.588 -0.503 -0.946) 1.915 17.316 ( 0.818 -0.978 1.366) 1.869 17.421 ( -1.186 1.399 -1.048) 2.113 17.518 ( 4.598 1.211 -1.394) 4.955 17.775 ( 0.348 -0.169 1.885) 1.924 17.799 ( -1.577 -3.530 0.423) 3.889 17.939 ( -3.585 2.241 0.412) 4.248 17.967 ( -4.556 -0.727 -2.652) 5.321 18.112 ( 0.607 -2.019 1.579) 2.634 18.138 ( 1.037 -2.772 0.007) 2.960 18.164 ( 0.016 -1.084 0.881) 1.397 18.231 ( -1.343 -2.883 0.157) 3.185 18.823 ( 3.321 0.719 -0.759) 3.482 18.834 ( 3.572 2.029 0.399) 4.128 18.942 ( -4.031 -1.126 -0.284) 4.195 19.106 ( -8.114 1.118 2.178) 8.475 19.510 ( 2.013 2.349 1.100) 3.283 19.652 ( -1.982 -2.045 -3.893) 4.823 19.756 ( -0.669 -4.935 0.368) 4.994 19.925 ( -2.262 -0.844 0.012) 2.415 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 13.335 0.000) 13.335 1.265 ( -0.000 14.808 0.000) 14.808 1.476 ( -0.000 4.547 -0.000) 4.547 1.542 ( 0.000 14.358 0.000) 14.358 1.760 ( -0.000 3.785 -0.000) 3.785 1.859 ( 0.000 2.521 0.000) 2.521 2.011 ( -0.000 -9.784 0.000) 9.784 2.356 ( -0.000 -8.493 0.000) 8.493 2.408 ( -0.000 -6.008 -0.000) 6.008 2.519 ( 0.000 10.299 -0.000) 10.299 2.671 ( -0.000 -1.633 0.000) 1.633 2.679 ( 0.000 1.281 -0.000) 1.281 2.796 ( 0.000 1.676 0.000) 1.676 2.802 ( -0.000 5.323 -0.000) 5.323 2.848 ( -0.000 -4.178 -0.000) 4.178 2.974 ( 0.000 3.239 0.000) 3.239 3.071 ( -0.000 -1.668 -0.000) 1.668 3.106 ( -0.000 8.652 0.000) 8.652 3.331 ( 0.000 4.611 -0.000) 4.611 3.431 ( 0.000 -4.871 0.000) 4.871 3.448 ( 0.000 1.976 0.000) 1.976 3.548 ( -0.000 -8.421 -0.000) 8.421 3.806 ( -0.000 1.839 -0.000) 1.839 3.814 ( 0.000 1.304 0.000) 1.304 3.901 ( -0.000 -2.241 -0.000) 2.241 4.022 ( -0.000 0.222 0.000) 0.222 4.038 ( -0.000 2.838 0.000) 2.838 4.153 ( 0.000 -4.017 -0.000) 4.017 4.259 ( 0.000 -1.522 0.000) 1.522 4.334 ( -0.000 -9.071 -0.000) 9.071 4.339 ( 0.000 -0.336 -0.000) 0.336 4.444 ( 0.000 1.507 0.000) 1.507 4.546 ( 0.000 -1.051 0.000) 1.051 4.694 ( -0.000 0.146 0.000) 0.146 4.695 ( 0.000 2.700 -0.000) 2.700 4.707 ( -0.000 2.598 0.000) 2.598 4.978 ( 0.000 0.491 -0.000) 0.491 5.196 ( 0.000 3.217 -0.000) 3.217 5.307 ( 0.000 3.337 0.000) 3.337 5.440 ( -0.000 3.525 -0.000) 3.525 5.576 ( -0.000 5.126 -0.000) 5.126 5.604 ( 0.000 -3.408 0.000) 3.408 5.924 ( -0.000 -2.504 -0.000) 2.504 5.985 ( 0.000 -3.509 0.000) 3.509 6.056 ( -0.000 -4.468 -0.000) 4.468 6.057 ( 0.000 -4.425 0.000) 4.425 6.277 ( -0.000 -4.253 0.000) 4.253 6.394 ( 0.000 1.475 -0.000) 1.475 6.457 ( 0.000 -2.265 0.000) 2.265 6.631 ( 0.000 4.846 0.000) 4.846 6.788 ( -0.000 -1.653 -0.000) 1.653 6.795 ( 0.000 -3.816 0.000) 3.816 6.915 ( 0.000 1.735 0.000) 1.735 7.011 ( -0.000 -6.429 -0.000) 6.429 7.031 ( 0.000 -6.358 -0.000) 6.358 7.056 ( 0.000 1.039 0.000) 1.039 7.277 ( 0.000 2.332 -0.000) 2.332 7.318 ( 0.000 2.021 0.000) 2.021 7.421 ( -0.000 0.416 0.000) 0.416 7.458 ( 0.000 -0.857 0.000) 0.857 7.530 ( 0.000 0.966 0.000) 0.966 7.584 ( 0.000 1.434 -0.000) 1.434 7.692 ( -0.000 3.449 0.000) 3.449 7.896 ( -0.000 0.807 0.000) 0.807 7.949 ( 0.000 -0.513 -0.000) 0.513 8.004 ( -0.000 -0.453 -0.000) 0.453 8.037 ( 0.000 0.956 0.000) 0.956 8.131 ( -0.000 -0.234 0.000) 0.234 8.158 ( 0.000 -1.325 0.000) 1.325 8.193 ( -0.000 -0.128 0.000) 0.128 8.242 ( 0.000 -1.542 0.000) 1.542 8.401 ( -0.000 -0.136 -0.000) 0.136 8.482 ( 0.000 1.253 0.000) 1.253 8.569 ( -0.000 -1.742 -0.000) 1.742 8.605 ( -0.000 0.146 -0.000) 0.146 8.727 ( -0.000 2.437 0.000) 2.437 8.885 ( -0.000 -0.559 0.000) 0.559 8.912 ( -0.000 1.295 0.000) 1.295 9.235 ( -0.000 -0.675 0.000) 0.675 9.320 ( -0.000 -1.139 -0.000) 1.139 12.584 ( 0.000 7.542 0.000) 7.542 12.636 ( 0.000 9.901 0.000) 9.901 14.112 ( 0.000 -2.646 0.000) 2.646 14.473 ( -0.000 -9.826 0.000) 9.826 16.992 ( -0.000 0.130 0.000) 0.130 17.014 ( 0.000 0.585 -0.000) 0.585 17.143 ( 0.000 -5.994 -0.000) 5.994 17.193 ( 0.000 -3.647 0.000) 3.647 17.307 ( 0.000 0.462 0.000) 0.462 17.355 ( 0.000 0.120 0.000) 0.120 17.375 ( -0.000 0.515 -0.000) 0.515 17.581 ( -0.000 -0.277 -0.000) 0.277 17.776 ( 0.000 -2.905 0.000) 2.905 17.776 ( -0.000 -2.279 -0.000) 2.279 17.896 ( -0.000 1.162 0.000) 1.162 17.906 ( 0.000 2.507 0.000) 2.507 18.130 ( 0.000 -1.125 -0.000) 1.125 18.138 ( 0.000 -1.320 0.000) 1.320 18.191 ( -0.000 -3.748 -0.000) 3.748 18.204 ( 0.000 -2.011 0.000) 2.011 18.869 ( 0.000 0.401 -0.000) 0.401 18.870 ( -0.000 -0.930 0.000) 0.930 18.924 ( -0.000 3.476 0.000) 3.476 18.993 ( 0.000 0.365 -0.000) 0.365 19.531 ( 0.000 0.964 -0.000) 0.964 19.620 ( 0.000 1.476 0.000) 1.476 19.745 ( 0.000 -5.771 -0.000) 5.771 19.901 ( -0.000 0.222 0.000) 0.222 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 22.037 0.000) 22.037 1.292 ( 0.000 29.932 0.000) 29.932 1.373 ( 0.000 30.441 0.000) 30.441 1.728 ( 0.000 -3.242 0.000) 3.242 2.030 ( 0.000 -2.323 0.000) 2.323 2.121 ( 0.000 4.746 0.000) 4.746 2.150 ( 0.000 -5.622 0.000) 5.622 2.308 ( 0.000 -2.422 0.000) 2.422 2.402 ( 0.000 6.894 0.000) 6.894 2.404 ( 0.000 10.088 0.000) 10.088 2.766 ( 0.000 5.121 0.000) 5.121 2.785 ( 0.000 7.087 0.000) 7.087 2.809 ( 0.000 3.372 0.000) 3.372 2.866 ( 0.000 9.351 0.000) 9.351 2.967 ( 0.000 -11.522 0.000) 11.522 2.984 ( 0.000 0.615 0.000) 0.615 3.076 ( 0.000 8.190 0.000) 8.190 3.191 ( 0.000 2.610 0.000) 2.610 3.251 ( 0.000 -9.941 0.000) 9.941 3.384 ( 0.000 2.853 0.000) 2.853 3.512 ( 0.000 6.134 0.000) 6.134 3.656 ( 0.000 1.960 0.000) 1.960 3.826 ( 0.000 -9.100 0.000) 9.100 3.838 ( 0.000 4.229 0.000) 4.229 3.955 ( 0.000 0.856 0.000) 0.856 3.996 ( 0.000 -1.035 0.000) 1.035 4.081 ( 0.000 -8.770 0.000) 8.770 4.139 ( 0.000 -5.396 0.000) 5.396 4.233 ( 0.000 -1.902 0.000) 1.902 4.314 ( 0.000 -3.656 0.000) 3.656 4.353 ( 0.000 0.428 0.000) 0.428 4.473 ( 0.000 -6.151 0.000) 6.151 4.485 ( 0.000 2.562 0.000) 2.562 4.530 ( 0.000 -3.128 0.000) 3.128 4.824 ( 0.000 0.824 0.000) 0.824 4.884 ( 0.000 -0.042 0.000) 0.042 5.007 ( 0.000 4.527 0.000) 4.527 5.113 ( 0.000 0.796 0.000) 0.796 5.251 ( 0.000 -5.051 0.000) 5.051 5.466 ( 0.000 -1.639 0.000) 1.639 5.570 ( 0.000 -3.775 0.000) 3.775 5.802 ( 0.000 -3.120 0.000) 3.120 5.811 ( 0.000 -5.670 0.000) 5.670 5.923 ( 0.000 -4.432 0.000) 4.432 5.937 ( 0.000 -7.363 0.000) 7.363 6.020 ( 0.000 -4.699 0.000) 4.699 6.169 ( 0.000 -3.092 0.000) 3.092 6.324 ( 0.000 -7.950 0.000) 7.950 6.552 ( 0.000 2.665 0.000) 2.665 6.626 ( 0.000 2.557 0.000) 2.557 6.756 ( 0.000 -1.641 0.000) 1.641 6.784 ( 0.000 1.129 0.000) 1.129 6.786 ( 0.000 8.255 0.000) 8.255 6.913 ( 0.000 1.179 0.000) 1.179 7.035 ( 0.000 -0.171 0.000) 0.171 7.059 ( 0.000 1.124 0.000) 1.124 7.228 ( 0.000 2.555 0.000) 2.555 7.323 ( 0.000 -3.463 0.000) 3.463 7.391 ( 0.000 1.232 0.000) 1.232 7.395 ( 0.000 3.195 0.000) 3.195 7.558 ( 0.000 -1.480 0.000) 1.480 7.659 ( 0.000 2.624 0.000) 2.624 7.782 ( 0.000 1.927 0.000) 1.927 7.846 ( 0.000 -3.044 0.000) 3.044 7.929 ( 0.000 -2.795 0.000) 2.795 7.930 ( 0.000 2.406 0.000) 2.406 8.052 ( 0.000 -4.402 0.000) 4.402 8.090 ( 0.000 -1.701 0.000) 1.701 8.150 ( 0.000 -2.846 0.000) 2.846 8.283 ( 0.000 1.243 0.000) 1.243 8.328 ( 0.000 1.244 0.000) 1.244 8.355 ( 0.000 1.429 0.000) 1.429 8.499 ( 0.000 -2.012 0.000) 2.012 8.533 ( 0.000 -2.664 0.000) 2.664 8.561 ( 0.000 0.424 0.000) 0.424 8.715 ( 0.000 0.442 0.000) 0.442 8.952 ( 0.000 4.256 0.000) 4.256 9.025 ( 0.000 2.066 0.000) 2.066 9.164 ( 0.000 -1.734 0.000) 1.734 9.243 ( 0.000 -0.827 0.000) 0.827 12.797 ( 0.000 12.228 0.000) 12.228 13.182 ( 0.000 3.114 0.000) 3.114 13.914 ( 0.000 -5.175 0.000) 5.175 14.186 ( 0.000 -10.813 0.000) 10.813 17.006 ( 0.000 0.144 0.000) 0.144 17.009 ( 0.000 1.811 0.000) 1.811 17.062 ( 0.000 1.849 0.000) 1.849 17.102 ( 0.000 3.136 0.000) 3.136 17.345 ( 0.000 3.769 0.000) 3.769 17.372 ( 0.000 3.240 0.000) 3.240 17.416 ( 0.000 0.664 0.000) 0.664 17.576 ( 0.000 -2.128 0.000) 2.128 17.618 ( 0.000 3.879 0.000) 3.879 17.749 ( 0.000 -5.581 0.000) 5.581 17.925 ( 0.000 -6.983 0.000) 6.983 18.001 ( 0.000 -0.409 0.000) 0.409 18.093 ( 0.000 0.241 0.000) 0.241 18.112 ( 0.000 0.201 0.000) 0.201 18.141 ( 0.000 -1.584 0.000) 1.584 18.221 ( 0.000 -0.895 0.000) 0.895 18.786 ( 0.000 2.041 0.000) 2.041 18.793 ( 0.000 0.181 0.000) 0.181 18.985 ( 0.000 -3.198 0.000) 3.198 19.253 ( 0.000 -6.551 0.000) 6.551 19.423 ( 0.000 3.665 0.000) 3.665 19.613 ( 0.000 -0.547 0.000) 0.547 19.659 ( 0.000 -7.985 0.000) 7.985 19.893 ( 0.000 -6.125 0.000) 6.125 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 12.004 17.271 10.297) 23.418 1.322 ( 2.125 27.576 8.111) 28.822 1.552 ( 13.937 17.371 1.055) 22.296 1.714 ( 6.520 2.272 -8.535) 10.978 1.985 ( -5.372 1.431 -5.509) 7.827 2.086 ( -2.896 2.552 -3.677) 5.331 2.142 ( -1.735 -2.915 2.771) 4.381 2.213 ( -3.104 4.539 -4.379) 7.029 2.397 ( 2.336 0.702 2.777) 3.696 2.452 ( -0.008 8.186 -1.384) 8.302 2.617 ( -4.540 2.660 -0.230) 5.267 2.682 ( -12.534 1.326 -2.244) 12.802 2.810 ( -1.136 1.359 0.178) 1.781 2.854 ( -0.981 9.731 -1.532) 9.899 2.935 ( -3.883 -7.466 -0.505) 8.431 3.020 ( 2.794 7.178 1.804) 7.911 3.086 ( -1.730 -2.755 4.842) 5.833 3.182 ( 0.381 -6.547 -0.849) 6.613 3.341 ( 10.178 4.223 -0.954) 11.060 3.403 ( -0.885 4.029 3.230) 5.239 3.531 ( -1.714 7.883 3.004) 8.608 3.655 ( 1.240 -1.053 -2.580) 3.050 3.816 ( 0.030 -7.583 -0.867) 7.632 3.877 ( -1.346 4.098 0.431) 4.335 3.924 ( 0.406 0.106 -2.989) 3.018 4.002 ( -0.143 -3.148 -0.183) 3.157 4.099 ( -2.613 -6.121 -2.003) 6.950 4.136 ( 1.052 -5.826 3.642) 6.951 4.176 ( 0.413 -1.472 -5.296) 5.513 4.223 ( -4.189 -1.737 1.631) 4.819 4.366 ( -0.378 -0.565 0.148) 0.696 4.438 ( -0.525 -0.183 -4.379) 4.414 4.514 ( 1.110 -1.086 1.252) 1.995 4.576 ( 2.266 -1.640 2.476) 3.736 4.784 ( -2.853 1.317 -0.951) 3.283 4.863 ( -1.267 -0.891 -0.457) 1.615 5.027 ( 0.628 2.415 -1.767) 3.058 5.097 ( 1.245 4.386 1.292) 4.739 5.309 ( 3.138 -4.384 2.640) 6.003 5.517 ( 1.129 -1.164 0.603) 1.730 5.567 ( -2.748 -5.268 -4.215) 7.284 5.699 ( -1.590 -6.853 6.873) 9.835 5.790 ( -0.250 -3.312 -1.458) 3.627 5.920 ( -1.265 -5.797 -0.120) 5.935 5.993 ( -0.470 -3.934 -1.967) 4.423 6.151 ( 5.476 -6.251 11.186) 13.935 6.185 ( -2.658 -1.034 0.762) 2.952 6.295 ( -0.396 -4.898 5.138) 7.110 6.488 ( -0.743 1.412 -5.495) 5.722 6.536 ( -5.644 -0.041 -5.782) 8.080 6.750 ( -0.589 3.319 -0.782) 3.461 6.803 ( 2.100 0.337 -0.238) 2.141 6.828 ( 2.358 1.967 -0.466) 3.106 6.911 ( -0.124 -1.480 -0.713) 1.648 7.026 ( -0.056 1.034 3.633) 3.778 7.101 ( -0.708 -0.648 2.857) 3.014 7.224 ( 1.926 5.207 -3.439) 6.531 7.301 ( -0.565 -2.302 -0.343) 2.395 7.418 ( 0.848 0.963 1.345) 1.859 7.437 ( 3.457 0.883 -0.271) 3.578 7.547 ( -1.353 -0.612 0.982) 1.780 7.658 ( 0.228 1.763 -1.089) 2.085 7.792 ( 0.192 3.136 0.113) 3.144 7.848 ( 0.609 -3.036 0.282) 3.110 7.921 ( 0.989 0.236 -0.956) 1.396 7.969 ( 1.458 -0.132 1.617) 2.181 8.058 ( -2.182 -2.040 0.428) 3.017 8.074 ( 1.193 -3.286 1.283) 3.723 8.138 ( 0.034 -1.840 -2.473) 3.083 8.256 ( -2.341 1.990 -0.336) 3.091 8.312 ( -2.240 0.375 0.908) 2.446 8.389 ( 2.597 -0.022 0.888) 2.744 8.487 ( -0.807 0.501 -2.300) 2.489 8.533 ( 1.752 -2.538 -1.593) 3.471 8.562 ( -0.959 -1.002 2.177) 2.582 8.730 ( -0.192 -0.124 2.471) 2.482 8.952 ( 0.633 3.340 -1.693) 3.798 8.981 ( -1.429 2.833 -3.327) 4.598 9.200 ( 1.228 -1.872 1.920) 2.949 9.244 ( 0.039 -1.007 0.707) 1.231 12.805 ( 0.288 12.418 0.679) 12.440 13.048 ( -8.394 9.488 -2.895) 12.994 13.944 ( 2.360 -5.454 0.621) 5.975 14.237 ( 3.536 -14.511 -1.669) 15.028 17.000 ( 0.481 0.232 -1.790) 1.868 17.013 ( -0.333 0.853 1.168) 1.484 17.063 ( -2.435 2.304 -0.612) 3.407 17.082 ( 0.768 1.601 0.465) 1.836 17.291 ( -1.715 0.998 -2.278) 3.022 17.313 ( -1.117 1.979 -2.344) 3.264 17.452 ( 0.626 1.620 1.715) 2.441 17.527 ( 0.069 2.017 -0.360) 2.050 17.723 ( 0.755 -2.416 0.981) 2.715 17.735 ( 0.448 -3.905 0.171) 3.934 17.937 ( 0.907 -4.729 1.795) 5.139 18.026 ( 0.563 -0.046 0.017) 0.565 18.076 ( -0.649 -0.494 -0.937) 1.242 18.090 ( -2.169 0.284 0.977) 2.396 18.144 ( 0.147 -1.221 0.207) 1.247 18.208 ( -1.232 -1.108 0.382) 1.700 18.794 ( 0.588 -0.009 0.344) 0.681 18.813 ( 1.953 1.555 0.363) 2.522 18.961 ( -1.952 -2.878 -0.616) 3.532 19.200 ( -5.055 -3.889 1.252) 6.500 19.485 ( 3.790 2.037 1.054) 4.430 19.619 ( -0.314 -5.309 -1.668) 5.574 19.658 ( 0.803 -4.613 -0.398) 4.700 19.891 ( -0.113 -4.334 0.690) 4.389 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 3.992 18.988 13.723) 23.765 1.511 ( 11.595 18.363 -3.183) 21.950 1.623 ( 3.308 0.713 -8.396) 9.052 1.794 ( 0.322 2.296 -10.501) 10.754 1.955 ( -4.696 4.770 -4.972) 8.338 2.021 ( 6.752 10.136 1.863) 12.321 2.059 ( -3.272 2.729 -1.423) 4.492 2.129 ( -3.632 0.200 0.482) 3.670 2.348 ( -12.351 -1.238 1.453) 12.498 2.474 ( 3.424 3.607 8.425) 9.783 2.560 ( 5.769 1.692 1.054) 6.104 2.621 ( 1.479 -2.362 4.467) 5.265 2.763 ( -8.342 -2.532 4.089) 9.629 2.817 ( 1.363 -0.099 -1.992) 2.416 2.915 ( 3.881 -0.875 -0.818) 4.062 3.043 ( -0.621 5.978 -0.036) 6.010 3.103 ( 0.850 1.916 1.997) 2.896 3.248 ( 2.476 -0.104 0.523) 2.533 3.382 ( -2.273 5.454 -1.074) 6.005 3.487 ( 0.101 3.375 0.450) 3.406 3.506 ( 1.524 5.839 -0.348) 6.044 3.584 ( -4.923 -2.675 -5.211) 7.652 3.765 ( -2.812 0.224 -0.435) 2.854 3.841 ( 0.448 -3.268 1.210) 3.514 3.908 ( -3.197 -0.729 -2.291) 4.000 3.985 ( -0.797 0.292 -3.583) 3.682 4.025 ( 2.663 -4.316 -3.737) 6.299 4.121 ( -1.642 -7.111 2.429) 7.691 4.210 ( 0.346 3.459 2.640) 4.365 4.262 ( 0.673 -4.060 2.023) 4.586 4.334 ( -1.973 -1.018 -0.082) 2.222 4.392 ( 0.773 -2.279 -2.930) 3.791 4.521 ( -0.626 -1.802 -1.280) 2.298 4.644 ( 3.966 1.977 0.504) 4.460 4.740 ( -1.143 0.861 0.022) 1.431 4.832 ( -2.654 0.769 0.955) 2.923 4.989 ( -0.345 0.510 -3.348) 3.404 5.192 ( 3.505 4.933 5.430) 8.130 5.394 ( -0.869 -0.579 0.409) 1.121 5.433 ( 1.153 -4.985 -0.768) 5.174 5.549 ( 0.256 0.957 -2.092) 2.315 5.763 ( -1.917 0.452 -1.535) 2.497 5.788 ( 0.924 -7.398 6.652) 9.991 5.879 ( -2.103 -6.482 0.365) 6.824 5.959 ( -0.703 -5.424 -1.695) 5.726 6.054 ( -4.547 0.476 -3.490) 5.751 6.321 ( -6.620 0.260 -4.733) 8.142 6.333 ( 1.473 -5.344 10.372) 11.760 6.402 ( 1.008 1.064 -1.373) 2.008 6.531 ( 5.905 -4.792 6.530) 10.024 6.736 ( 0.675 2.323 -2.238) 3.296 6.804 ( -0.687 -2.722 -2.789) 3.957 6.848 ( 0.400 -3.513 -2.864) 4.550 6.905 ( 0.220 -1.374 1.841) 2.308 7.035 ( -3.872 -2.392 -2.169) 5.042 7.091 ( 1.417 4.213 2.774) 5.240 7.274 ( 4.602 4.015 -1.511) 6.292 7.304 ( 1.078 -2.370 -0.534) 2.658 7.439 ( -0.302 0.754 0.959) 1.257 7.474 ( 0.145 1.686 1.007) 1.969 7.539 ( -0.757 0.136 1.772) 1.932 7.632 ( -0.735 0.480 -3.004) 3.129 7.782 ( -0.616 3.541 -0.433) 3.621 7.885 ( 2.095 -1.392 0.362) 2.542 7.935 ( 0.354 0.163 0.954) 1.031 7.969 ( -1.943 -2.575 0.461) 3.258 8.060 ( 1.723 2.220 -0.359) 2.833 8.116 ( 1.393 -0.489 -0.531) 1.569 8.133 ( 1.988 -2.083 1.146) 3.099 8.202 ( -2.630 2.150 -0.416) 3.422 8.263 ( -3.126 -0.583 -0.192) 3.186 8.433 ( -1.242 0.397 -0.773) 1.516 8.455 ( 2.203 -0.148 -0.266) 2.224 8.543 ( -0.956 -1.697 1.361) 2.376 8.584 ( 1.763 -0.786 0.374) 1.966 8.745 ( -0.641 -0.841 1.876) 2.154 8.918 ( -0.793 2.238 -2.503) 3.450 8.957 ( 0.780 3.283 -1.961) 3.903 9.216 ( -0.410 -1.450 0.701) 1.662 9.269 ( 0.990 -1.939 1.119) 2.448 12.806 ( -0.922 12.211 -0.197) 12.247 12.913 ( -3.090 13.347 -0.647) 13.715 13.995 ( 1.974 -6.397 0.334) 6.703 14.247 ( 0.271 -13.802 -2.197) 13.979 16.990 ( 0.167 -0.478 -1.541) 1.622 17.018 ( 0.084 -0.067 0.312) 0.330 17.025 ( -0.095 -1.774 -0.281) 1.799 17.112 ( 1.260 -1.982 -0.101) 2.351 17.281 ( 0.518 0.831 1.927) 2.161 17.310 ( -0.368 0.356 3.950) 3.983 17.446 ( -1.141 1.191 -1.850) 2.478 17.550 ( 2.897 1.638 -1.912) 3.838 17.684 ( -1.764 -6.163 -0.998) 6.487 17.751 ( -0.473 -3.406 -0.463) 3.470 17.947 ( -1.314 0.285 -0.229) 1.364 17.984 ( -3.400 1.256 0.296) 3.636 18.077 ( 1.470 -1.507 -0.165) 2.112 18.096 ( 0.917 -0.729 0.811) 1.425 18.151 ( 0.236 -0.230 0.393) 0.513 18.191 ( -1.352 -0.780 1.095) 1.907 18.814 ( 1.308 -1.270 0.004) 1.823 18.864 ( 1.768 -0.461 0.394) 1.869 18.919 ( -0.468 -0.390 -0.291) 0.675 19.101 ( -6.095 -1.661 0.427) 6.332 19.513 ( 0.265 -3.798 -3.050) 4.878 19.626 ( -1.507 -5.986 0.119) 6.174 19.656 ( 2.390 2.177 1.528) 3.576 19.902 ( -0.014 -1.019 0.727) 1.252 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 16.621 0.000) 16.621 1.573 ( 0.000 3.215 -0.000) 3.215 1.634 ( -0.000 17.823 -0.000) 17.823 1.779 ( 0.000 -0.667 -0.000) 0.667 1.884 ( 0.000 11.774 0.000) 11.774 1.931 ( 0.000 7.001 -0.000) 7.001 1.944 ( -0.000 5.038 0.000) 5.038 2.174 ( 0.000 -7.908 -0.000) 7.908 2.255 ( 0.000 -6.457 -0.000) 6.457 2.563 ( 0.000 -3.526 0.000) 3.526 2.673 ( 0.000 -0.674 -0.000) 0.674 2.693 ( -0.000 -0.620 0.000) 0.620 2.745 ( -0.000 -4.434 0.000) 4.434 2.853 ( -0.000 2.495 -0.000) 2.495 2.967 ( 0.000 8.170 0.000) 8.170 3.037 ( 0.000 4.129 -0.000) 4.129 3.083 ( -0.000 4.243 0.000) 4.243 3.280 ( -0.000 4.027 0.000) 4.027 3.319 ( 0.000 1.242 0.000) 1.242 3.419 ( -0.000 -2.109 -0.000) 2.109 3.488 ( 0.000 -0.272 0.000) 0.272 3.533 ( -0.000 11.198 0.000) 11.198 3.791 ( -0.000 -4.550 0.000) 4.550 3.812 ( 0.000 -2.706 -0.000) 2.706 3.853 ( 0.000 1.482 -0.000) 1.482 3.967 ( 0.000 -0.587 0.000) 0.587 4.078 ( 0.000 -8.175 -0.000) 8.175 4.106 ( -0.000 -2.914 -0.000) 2.914 4.182 ( 0.000 -0.552 0.000) 0.552 4.269 ( -0.000 4.697 -0.000) 4.697 4.317 ( 0.000 -2.019 0.000) 2.019 4.406 ( 0.000 -4.867 0.000) 4.867 4.503 ( -0.000 -2.879 0.000) 2.879 4.713 ( -0.000 1.278 0.000) 1.278 4.730 ( 0.000 0.254 -0.000) 0.254 4.787 ( 0.000 4.284 0.000) 4.284 4.968 ( 0.000 -0.767 -0.000) 0.767 5.276 ( 0.000 3.765 0.000) 3.765 5.345 ( 0.000 0.260 0.000) 0.260 5.513 ( -0.000 -5.033 -0.000) 5.033 5.514 ( 0.000 2.538 0.000) 2.538 5.701 ( 0.000 5.514 0.000) 5.514 5.835 ( -0.000 -6.676 -0.000) 6.676 5.874 ( 0.000 -6.655 -0.000) 6.655 5.943 ( -0.000 -5.504 -0.000) 5.504 5.999 ( 0.000 -0.698 0.000) 0.698 6.199 ( -0.000 -1.511 0.000) 1.511 6.383 ( -0.000 -2.592 0.000) 2.592 6.437 ( 0.000 0.227 0.000) 0.227 6.689 ( -0.000 -5.887 -0.000) 5.887 6.709 ( 0.000 2.403 0.000) 2.403 6.762 ( 0.000 -0.834 0.000) 0.834 6.808 ( -0.000 -10.036 -0.000) 10.036 6.943 ( 0.000 0.885 0.000) 0.885 6.961 ( -0.000 -3.326 0.000) 3.326 7.125 ( 0.000 5.075 -0.000) 5.075 7.297 ( -0.000 -2.979 -0.000) 2.979 7.340 ( 0.000 3.944 -0.000) 3.944 7.426 ( 0.000 -0.614 0.000) 0.614 7.481 ( -0.000 2.599 0.000) 2.599 7.547 ( 0.000 0.922 0.000) 0.922 7.599 ( 0.000 0.037 -0.000) 0.037 7.772 ( -0.000 3.708 -0.000) 3.708 7.907 ( -0.000 -1.918 0.000) 1.918 7.946 ( 0.000 -1.783 0.000) 1.783 7.952 ( 0.000 0.758 -0.000) 0.758 8.076 ( 0.000 2.898 0.000) 2.898 8.137 ( 0.000 -0.598 -0.000) 0.598 8.162 ( -0.000 2.265 0.000) 2.265 8.193 ( -0.000 -2.688 -0.000) 2.688 8.202 ( 0.000 0.571 0.000) 0.571 8.408 ( -0.000 0.895 -0.000) 0.895 8.485 ( 0.000 -1.119 0.000) 1.119 8.538 ( -0.000 -1.275 -0.000) 1.275 8.607 ( -0.000 0.010 -0.000) 0.010 8.747 ( -0.000 -1.101 0.000) 1.101 8.897 ( -0.000 2.223 0.000) 2.223 8.954 ( -0.000 2.711 0.000) 2.711 9.214 ( -0.000 -1.386 0.000) 1.386 9.286 ( -0.000 -2.171 -0.000) 2.171 12.788 ( 0.000 11.806 0.000) 11.806 12.891 ( -0.000 14.120 0.000) 14.120 14.015 ( 0.000 -7.347 0.000) 7.347 14.235 ( -0.000 -12.010 0.000) 12.010 16.982 ( -0.000 -0.983 0.000) 0.983 17.020 ( 0.000 -0.227 -0.000) 0.227 17.030 ( 0.000 -4.689 -0.000) 4.689 17.121 ( -0.000 -3.570 0.000) 3.570 17.310 ( -0.000 0.406 0.000) 0.406 17.355 ( 0.000 0.069 0.000) 0.069 17.393 ( -0.000 1.421 -0.000) 1.421 17.576 ( -0.000 -0.345 -0.000) 0.345 17.659 ( 0.000 -6.681 0.000) 6.681 17.731 ( -0.000 -2.283 -0.000) 2.283 17.930 ( -0.000 1.760 0.000) 1.760 17.946 ( 0.000 1.170 -0.000) 1.170 18.097 ( 0.000 -2.170 -0.000) 2.170 18.110 ( -0.000 -1.165 0.000) 1.165 18.156 ( 0.000 0.674 0.000) 0.674 18.182 ( 0.000 0.067 -0.000) 0.067 18.842 ( 0.000 -1.820 -0.000) 1.820 18.847 ( -0.000 -2.504 0.000) 2.504 18.976 ( -0.000 1.259 0.000) 1.259 18.998 ( 0.000 0.003 -0.000) 0.003 19.495 ( 0.000 -3.858 -0.000) 3.858 19.596 ( -0.000 -8.420 0.000) 8.420 19.708 ( 0.000 5.897 0.000) 5.897 19.901 ( -0.000 -0.028 -0.000) 0.028 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.000 21.915 0.000) 21.915 1.691 ( 0.000 2.901 0.000) 2.901 1.858 ( 0.000 7.782 0.000) 7.782 1.897 ( 0.000 26.002 0.000) 26.002 2.016 ( 0.000 -0.677 0.000) 0.677 2.074 ( 0.000 9.967 0.000) 9.967 2.220 ( 0.000 3.789 0.000) 3.789 2.228 ( 0.000 -5.264 0.000) 5.264 2.523 ( 0.000 4.353 0.000) 4.353 2.560 ( 0.000 -5.138 0.000) 5.138 2.685 ( 0.000 2.280 0.000) 2.280 2.804 ( 0.000 -0.972 0.000) 0.972 2.898 ( 0.000 0.216 0.000) 0.216 2.960 ( 0.000 1.276 0.000) 1.276 2.982 ( 0.000 6.640 0.000) 6.640 3.064 ( 0.000 -5.210 0.000) 5.210 3.102 ( 0.000 3.949 0.000) 3.949 3.265 ( 0.000 7.329 0.000) 7.329 3.294 ( 0.000 8.822 0.000) 8.822 3.391 ( 0.000 1.717 0.000) 1.717 3.520 ( 0.000 -10.710 0.000) 10.710 3.551 ( 0.000 -3.067 0.000) 3.067 3.769 ( 0.000 -1.359 0.000) 1.359 3.867 ( 0.000 -8.309 0.000) 8.309 3.920 ( 0.000 -1.577 0.000) 1.577 3.958 ( 0.000 -0.283 0.000) 0.283 4.015 ( 0.000 5.214 0.000) 5.214 4.087 ( 0.000 1.093 0.000) 1.093 4.219 ( 0.000 -0.438 0.000) 0.438 4.280 ( 0.000 -1.741 0.000) 1.741 4.322 ( 0.000 -2.825 0.000) 2.825 4.350 ( 0.000 -4.926 0.000) 4.926 4.458 ( 0.000 -2.013 0.000) 2.013 4.562 ( 0.000 4.745 0.000) 4.745 4.793 ( 0.000 -4.064 0.000) 4.064 4.847 ( 0.000 -3.273 0.000) 3.273 5.116 ( 0.000 5.110 0.000) 5.110 5.142 ( 0.000 2.572 0.000) 2.572 5.165 ( 0.000 -3.011 0.000) 3.011 5.415 ( 0.000 -3.301 0.000) 3.301 5.474 ( 0.000 -5.169 0.000) 5.169 5.660 ( 0.000 -8.719 0.000) 8.719 5.741 ( 0.000 -1.769 0.000) 1.769 5.811 ( 0.000 -4.430 0.000) 4.430 5.838 ( 0.000 -3.300 0.000) 3.300 5.971 ( 0.000 -1.040 0.000) 1.040 6.065 ( 0.000 -6.531 0.000) 6.531 6.145 ( 0.000 -8.415 0.000) 8.415 6.597 ( 0.000 2.048 0.000) 2.048 6.654 ( 0.000 0.642 0.000) 0.642 6.760 ( 0.000 1.943 0.000) 1.943 6.866 ( 0.000 5.271 0.000) 5.271 6.907 ( 0.000 -1.311 0.000) 1.311 6.942 ( 0.000 5.841 0.000) 5.841 7.029 ( 0.000 0.364 0.000) 0.364 7.128 ( 0.000 4.676 0.000) 4.676 7.252 ( 0.000 -3.339 0.000) 3.339 7.273 ( 0.000 1.552 0.000) 1.552 7.439 ( 0.000 3.050 0.000) 3.050 7.456 ( 0.000 2.311 0.000) 2.311 7.525 ( 0.000 -1.681 0.000) 1.681 7.668 ( 0.000 -1.860 0.000) 1.860 7.783 ( 0.000 -2.348 0.000) 2.348 7.826 ( 0.000 2.246 0.000) 2.246 7.877 ( 0.000 -2.582 0.000) 2.582 7.959 ( 0.000 0.172 0.000) 0.172 7.972 ( 0.000 -2.909 0.000) 2.909 8.035 ( 0.000 -3.346 0.000) 3.346 8.127 ( 0.000 1.246 0.000) 1.246 8.313 ( 0.000 1.422 0.000) 1.422 8.351 ( 0.000 0.887 0.000) 0.887 8.357 ( 0.000 -1.213 0.000) 1.213 8.458 ( 0.000 -1.456 0.000) 1.456 8.489 ( 0.000 -1.604 0.000) 1.604 8.595 ( 0.000 2.439 0.000) 2.439 8.714 ( 0.000 -0.562 0.000) 0.562 9.022 ( 0.000 2.521 0.000) 2.521 9.077 ( 0.000 2.958 0.000) 2.958 9.127 ( 0.000 -1.798 0.000) 1.798 9.221 ( 0.000 -1.390 0.000) 1.390 13.074 ( 0.000 14.489 0.000) 14.489 13.271 ( 0.000 5.743 0.000) 5.743 13.778 ( 0.000 -8.041 0.000) 8.041 13.942 ( 0.000 -12.772 0.000) 12.772 17.002 ( 0.000 -0.313 0.000) 0.313 17.018 ( 0.000 -0.549 0.000) 0.549 17.134 ( 0.000 5.001 0.000) 5.001 17.189 ( 0.000 5.230 0.000) 5.230 17.409 ( 0.000 2.009 0.000) 2.009 17.431 ( 0.000 1.571 0.000) 1.571 17.449 ( 0.000 2.046 0.000) 2.046 17.531 ( 0.000 -2.234 0.000) 2.234 17.627 ( 0.000 -5.308 0.000) 5.308 17.659 ( 0.000 -1.578 0.000) 1.578 17.823 ( 0.000 -0.784 0.000) 0.784 17.980 ( 0.000 -1.571 0.000) 1.571 18.101 ( 0.000 0.334 0.000) 0.334 18.121 ( 0.000 -0.558 0.000) 0.558 18.123 ( 0.000 0.962 0.000) 0.962 18.205 ( 0.000 -0.809 0.000) 0.809 18.794 ( 0.000 0.078 0.000) 0.078 18.822 ( 0.000 1.468 0.000) 1.468 18.925 ( 0.000 -2.486 0.000) 2.486 19.118 ( 0.000 -6.578 0.000) 6.578 19.468 ( 0.000 -2.933 0.000) 2.933 19.542 ( 0.000 0.890 0.000) 0.890 19.549 ( 0.000 -5.402 0.000) 5.402 19.783 ( 0.000 -4.237 0.000) 4.237 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 9.231 18.065 8.732) 22.086 1.577 ( -3.480 -1.108 -7.043) 7.934 1.852 ( -5.021 20.379 10.698) 23.558 1.971 ( -1.962 -2.568 4.338) 5.410 2.008 ( 1.007 4.794 -1.510) 5.126 2.102 ( 1.913 8.463 -7.745) 11.631 2.234 ( 2.422 3.993 -2.345) 5.226 2.264 ( 3.125 7.999 3.538) 9.288 2.383 ( -1.274 0.331 -6.084) 6.225 2.598 ( 0.266 2.047 2.555) 3.285 2.648 ( -10.509 -3.196 -2.258) 11.214 2.692 ( -3.138 -1.595 -1.186) 3.714 2.827 ( -10.405 6.702 -1.176) 12.432 2.836 ( -2.853 -4.052 -6.336) 8.044 2.894 ( -2.343 1.030 0.494) 2.607 3.093 ( -4.287 3.802 0.577) 5.759 3.121 ( 3.091 0.509 2.875) 4.252 3.267 ( 6.921 6.937 1.010) 9.852 3.399 ( -2.839 0.018 6.979) 7.534 3.454 ( 5.586 4.691 -0.720) 7.330 3.538 ( 0.160 -7.876 1.875) 8.098 3.627 ( 6.969 -0.879 -0.598) 7.050 3.752 ( 2.539 -0.803 -6.168) 6.718 3.847 ( -6.082 -2.718 0.437) 6.676 3.953 ( -0.775 -1.667 4.802) 5.142 3.961 ( 4.107 -2.408 -1.915) 5.131 3.999 ( -1.278 0.805 0.778) 1.699 4.082 ( 0.336 3.864 -3.673) 5.341 4.181 ( -2.380 -0.174 -1.174) 2.659 4.210 ( -2.374 0.138 -0.497) 2.429 4.311 ( 0.105 -6.372 -1.452) 6.536 4.380 ( 1.303 -3.610 -3.749) 5.365 4.504 ( 2.340 -1.820 1.288) 3.232 4.573 ( 1.433 3.943 1.773) 4.554 4.771 ( -1.948 -3.037 -0.147) 3.611 4.829 ( -1.274 -2.194 0.679) 2.626 5.086 ( -0.374 3.295 -4.439) 5.541 5.178 ( 3.594 3.218 0.854) 4.899 5.224 ( 3.325 -3.267 3.072) 5.583 5.433 ( -2.115 -6.779 -4.064) 8.182 5.496 ( 2.177 -2.135 4.701) 5.603 5.565 ( -1.476 -5.547 0.509) 5.762 5.713 ( -0.190 -3.109 -2.238) 3.835 5.839 ( -1.156 -2.261 4.585) 5.241 5.926 ( -1.066 -2.641 -2.978) 4.120 6.037 ( 4.877 -4.776 11.573) 13.436 6.135 ( -0.450 -3.907 2.931) 4.905 6.151 ( 2.999 -7.861 8.485) 11.950 6.473 ( -4.317 1.564 -8.697) 9.835 6.624 ( -2.785 4.220 -6.288) 8.069 6.758 ( -0.734 -1.229 0.355) 1.475 6.846 ( 0.926 3.271 -4.996) 6.043 6.860 ( -2.855 -1.892 -1.368) 3.688 6.932 ( -0.177 5.555 -2.167) 5.966 7.033 ( -0.860 -1.322 1.171) 1.964 7.124 ( -1.100 3.659 3.241) 5.010 7.236 ( -0.633 -3.073 -0.039) 3.138 7.319 ( 4.209 2.147 -3.191) 5.701 7.441 ( 1.405 0.980 -2.799) 3.282 7.476 ( 1.087 2.799 3.379) 4.521 7.532 ( 0.133 -0.682 0.419) 0.811 7.665 ( -0.227 -0.938 -0.778) 1.240 7.790 ( 0.316 -1.940 2.165) 2.924 7.853 ( 0.850 2.519 0.633) 2.733 7.900 ( 1.167 -2.598 1.137) 3.066 7.954 ( -1.438 -1.273 0.716) 2.050 8.005 ( 2.756 -2.244 1.003) 3.693 8.038 ( 1.549 -0.666 1.314) 2.138 8.134 ( 1.222 1.754 -1.731) 2.751 8.293 ( -2.547 1.547 0.807) 3.087 8.323 ( -2.056 0.622 -1.167) 2.445 8.369 ( 1.006 -2.028 0.639) 2.352 8.478 ( 1.240 -1.373 0.778) 2.007 8.490 ( 0.395 -1.262 -0.462) 1.401 8.578 ( -1.029 2.314 -0.635) 2.611 8.718 ( -0.528 -1.062 1.273) 1.740 9.007 ( -0.686 2.423 -1.523) 2.943 9.051 ( -0.238 3.533 -2.519) 4.345 9.158 ( 0.981 -2.134 1.862) 2.998 9.217 ( -0.184 -1.635 -0.078) 1.647 13.085 ( 0.300 14.444 0.575) 14.459 13.223 ( -3.293 8.440 -0.967) 9.111 13.796 ( 1.321 -8.923 0.186) 9.023 13.958 ( 1.496 -13.115 -0.164) 13.201 16.996 ( -0.129 -0.309 -0.894) 0.954 17.015 ( -0.304 -0.573 0.065) 0.652 17.114 ( -3.002 3.177 -0.073) 4.371 17.139 ( -4.436 3.417 -1.899) 5.913 17.315 ( -3.291 1.063 0.337) 3.474 17.352 ( -4.000 1.257 -0.796) 4.268 17.485 ( 0.372 1.117 0.537) 1.294 17.553 ( 0.428 -0.122 1.628) 1.688 17.614 ( 0.070 -4.086 -2.402) 4.740 17.671 ( 0.563 -4.234 -0.981) 4.383 17.904 ( 4.517 1.311 3.165) 5.669 18.016 ( 2.469 -0.828 0.026) 2.604 18.080 ( -1.951 0.566 -1.146) 2.332 18.099 ( -1.843 0.520 0.388) 1.954 18.129 ( 0.590 -0.220 0.488) 0.797 18.191 ( -0.744 -0.808 -0.306) 1.140 18.781 ( -1.001 -0.778 0.535) 1.376 18.836 ( 0.589 0.047 -0.111) 0.601 18.911 ( -0.442 -1.470 -0.597) 1.648 19.099 ( -2.112 -5.439 0.370) 5.847 19.448 ( -0.450 -4.969 -3.285) 5.974 19.537 ( -1.607 -6.296 -0.248) 6.503 19.605 ( 4.725 3.199 2.772) 6.343 19.819 ( 2.585 -2.759 1.852) 4.209 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 1.588 -4.677 -5.458) 7.361 1.667 ( 3.266 15.648 13.113) 20.676 1.838 ( -6.228 -7.010 5.190) 10.718 1.916 ( -1.053 6.468 -10.776) 12.612 1.988 ( -1.773 5.770 3.487) 6.971 2.043 ( 4.579 10.918 -5.058) 12.875 2.156 ( -4.832 2.152 -5.810) 7.857 2.253 ( -8.227 1.548 -3.103) 8.928 2.443 ( 2.048 10.766 1.572) 11.072 2.522 ( 0.252 1.885 4.275) 4.679 2.610 ( -2.971 -3.973 1.035) 5.068 2.639 ( -2.730 5.560 -0.332) 6.202 2.692 ( -2.719 1.514 1.442) 3.430 2.779 ( 5.826 0.796 2.135) 6.255 2.901 ( 2.267 0.910 2.181) 3.275 3.099 ( 2.300 -2.032 3.336) 4.533 3.166 ( 0.529 0.982 0.134) 1.124 3.365 ( -3.707 1.081 -0.603) 3.908 3.375 ( 2.446 0.667 1.093) 2.760 3.503 ( -2.329 4.355 -0.700) 4.988 3.560 ( 2.164 -2.908 -2.673) 4.504 3.677 ( -8.356 2.827 1.383) 8.929 3.735 ( 3.645 -0.403 -0.280) 3.678 3.769 ( 4.418 0.879 -4.601) 6.438 3.943 ( -2.232 -0.241 1.997) 3.004 3.952 ( -1.392 -0.687 -0.916) 1.803 4.010 ( -2.156 2.029 -4.895) 5.721 4.054 ( 1.128 3.815 -0.488) 4.008 4.153 ( 0.506 -5.068 2.768) 5.796 4.231 ( 3.131 -3.521 0.125) 4.713 4.298 ( -0.247 -3.953 -1.729) 4.321 4.331 ( -1.387 -3.556 -3.616) 5.258 4.512 ( -0.752 1.450 -0.923) 1.876 4.654 ( 3.547 0.039 1.756) 3.958 4.733 ( -1.512 -1.917 0.036) 2.442 4.832 ( -0.795 -0.536 3.380) 3.513 5.024 ( -0.626 3.114 -5.363) 6.233 5.271 ( 4.356 1.573 0.943) 4.727 5.331 ( 3.236 -3.403 2.422) 5.284 5.350 ( 0.086 -3.456 -1.706) 3.855 5.535 ( -1.190 -3.345 -0.575) 3.597 5.618 ( 1.470 -7.871 4.603) 9.236 5.713 ( 1.431 -2.364 0.547) 2.817 5.816 ( -3.832 -2.131 1.018) 4.501 5.891 ( -0.593 -0.038 0.519) 0.789 6.099 ( -3.334 3.383 -0.882) 4.831 6.203 ( 0.347 -6.806 11.865) 13.683 6.324 ( -2.395 0.306 -3.635) 4.364 6.381 ( 5.461 -4.104 8.471) 10.882 6.507 ( 0.906 3.172 -5.688) 6.576 6.689 ( -2.969 -5.582 -7.630) 9.909 6.776 ( -1.439 1.570 -2.188) 3.053 6.824 ( -2.092 -1.521 -1.536) 3.009 6.908 ( -0.608 0.645 -1.910) 2.106 6.990 ( -1.967 -0.937 -1.785) 2.816 7.160 ( 1.514 2.152 3.016) 4.002 7.251 ( 0.560 -1.907 0.288) 2.008 7.350 ( 3.118 1.775 -2.342) 4.285 7.449 ( 0.601 0.425 -1.678) 1.832 7.499 ( 0.155 -0.394 0.076) 0.430 7.563 ( 0.529 3.191 3.559) 4.809 7.643 ( -0.821 1.131 -1.422) 1.994 7.818 ( 0.049 -0.996 1.104) 1.488 7.846 ( -1.156 -1.379 -0.295) 1.823 7.931 ( 1.278 -0.648 1.322) 1.950 7.945 ( 0.761 0.140 -0.321) 0.838 8.085 ( 2.915 -0.460 1.978) 3.553 8.108 ( 2.650 0.157 1.030) 2.847 8.143 ( 1.936 3.322 -0.840) 3.936 8.238 ( -3.630 1.054 0.443) 3.806 8.264 ( -2.426 0.882 -1.254) 2.870 8.404 ( 0.955 -2.928 1.838) 3.586 8.469 ( -0.733 0.915 -1.304) 1.753 8.516 ( 0.411 -1.105 0.403) 1.246 8.573 ( 1.279 0.204 0.579) 1.419 8.712 ( -1.301 -2.151 0.822) 2.645 8.978 ( -0.517 3.452 -1.378) 3.753 9.027 ( 0.116 3.505 -2.060) 4.067 9.179 ( -0.168 -2.183 0.679) 2.293 9.222 ( 0.540 -2.652 0.383) 2.733 13.068 ( -1.734 12.854 -0.915) 13.002 13.185 ( -0.387 13.521 0.786) 13.549 13.811 ( 0.327 -11.287 -0.733) 11.316 13.990 ( 1.541 -11.580 0.463) 11.691 16.979 ( -0.272 -0.426 -2.034) 2.096 16.998 ( -3.859 -0.914 -1.619) 4.284 17.012 ( -0.684 -0.502 0.020) 0.849 17.069 ( -2.290 -2.195 -0.949) 3.311 17.308 ( -0.870 1.521 4.218) 4.568 17.329 ( -1.473 1.179 5.164) 5.497 17.469 ( -0.612 0.903 -2.413) 2.649 17.549 ( -1.925 -3.061 0.114) 3.618 17.602 ( 2.294 0.205 -4.124) 4.724 17.676 ( 0.746 -3.257 -0.406) 3.366 17.965 ( -0.004 1.102 -0.521) 1.219 17.997 ( -3.320 0.077 -0.168) 3.325 18.059 ( 1.288 -0.200 -1.317) 1.853 18.087 ( 0.122 -0.542 0.196) 0.590 18.161 ( 1.509 1.092 1.556) 2.427 18.190 ( 0.014 0.360 1.117) 1.174 18.775 ( -0.109 -2.174 0.469) 2.227 18.820 ( -1.443 -2.894 -0.461) 3.266 18.928 ( 2.345 0.682 0.111) 2.445 19.049 ( -3.257 -3.040 0.228) 4.461 19.407 ( 0.534 -5.145 -3.690) 6.354 19.478 ( -3.453 -6.934 -0.698) 7.777 19.741 ( 4.984 4.354 3.624) 7.545 19.887 ( 1.802 -0.674 1.358) 2.355 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.000 -6.153 0.000) 6.153 1.739 ( 0.000 -3.492 0.000) 3.492 1.812 ( 0.000 2.782 0.000) 2.782 1.850 ( -0.000 8.290 0.000) 8.290 1.958 ( 0.000 5.744 -0.000) 5.744 2.032 ( 0.000 -1.203 0.000) 1.203 2.124 ( 0.000 3.119 -0.000) 3.119 2.151 ( -0.000 16.189 0.000) 16.189 2.414 ( -0.000 17.801 0.000) 17.801 2.522 ( 0.000 1.289 0.000) 1.289 2.581 ( 0.000 -7.833 -0.000) 7.833 2.649 ( -0.000 -1.499 -0.000) 1.499 2.693 ( -0.000 -0.811 0.000) 0.811 2.856 ( -0.000 -1.319 0.000) 1.319 3.111 ( -0.000 5.458 -0.000) 5.458 3.142 ( -0.000 -1.271 -0.000) 1.271 3.195 ( -0.000 8.574 -0.000) 8.574 3.201 ( 0.000 -5.137 0.000) 5.137 3.404 ( 0.000 -1.719 0.000) 1.719 3.463 ( -0.000 2.803 -0.000) 2.803 3.483 ( 0.000 3.343 0.000) 3.343 3.648 ( -0.000 -3.282 0.000) 3.282 3.768 ( 0.000 -3.003 -0.000) 3.003 3.802 ( -0.000 10.621 0.000) 10.621 3.930 ( 0.000 4.101 -0.000) 4.101 3.934 ( -0.000 -2.585 0.000) 2.585 3.939 ( 0.000 -0.344 -0.000) 0.344 4.069 ( 0.000 1.216 -0.000) 1.216 4.204 ( 0.000 0.581 0.000) 0.581 4.226 ( -0.000 -5.623 -0.000) 5.623 4.281 ( 0.000 -6.556 0.000) 6.556 4.313 ( -0.000 -4.406 -0.000) 4.406 4.496 ( 0.000 3.437 0.000) 3.437 4.698 ( -0.000 -3.485 -0.000) 3.485 4.725 ( 0.000 -0.035 0.000) 0.035 4.845 ( -0.000 0.971 0.000) 0.971 4.983 ( 0.000 2.936 -0.000) 2.936 5.323 ( 0.000 -2.343 0.000) 2.343 5.328 ( 0.000 0.755 0.000) 0.755 5.427 ( 0.000 -2.221 -0.000) 2.221 5.494 ( 0.000 -4.876 -0.000) 4.876 5.651 ( -0.000 -8.591 0.000) 8.591 5.755 ( 0.000 -4.426 0.000) 4.426 5.762 ( -0.000 -1.780 -0.000) 1.780 5.900 ( -0.000 3.281 -0.000) 3.281 6.031 ( 0.000 3.774 0.000) 3.774 6.255 ( 0.000 5.746 0.000) 5.746 6.305 ( -0.000 -4.999 -0.000) 4.999 6.444 ( -0.000 0.333 -0.000) 0.333 6.552 ( 0.000 -7.945 -0.000) 7.945 6.646 ( 0.000 -4.945 0.000) 4.945 6.724 ( -0.000 -1.375 -0.000) 1.375 6.756 ( 0.000 0.502 0.000) 0.502 6.886 ( -0.000 -3.791 -0.000) 3.791 6.968 ( 0.000 2.116 0.000) 2.116 7.223 ( 0.000 4.227 0.000) 4.227 7.225 ( -0.000 -3.984 -0.000) 3.984 7.398 ( -0.000 -2.031 -0.000) 2.031 7.420 ( 0.000 2.788 -0.000) 2.788 7.506 ( -0.000 -0.445 0.000) 0.445 7.594 ( 0.000 3.638 0.000) 3.638 7.617 ( -0.000 2.642 -0.000) 2.642 7.821 ( 0.000 0.573 0.000) 0.573 7.831 ( 0.000 -3.407 -0.000) 3.407 7.951 ( 0.000 0.505 -0.000) 0.505 7.962 ( 0.000 -0.021 0.000) 0.021 8.121 ( -0.000 0.823 -0.000) 0.823 8.137 ( -0.000 0.556 0.000) 0.556 8.186 ( 0.000 -0.112 0.000) 0.112 8.192 ( -0.000 3.567 -0.000) 3.567 8.221 ( 0.000 1.225 0.000) 1.225 8.423 ( -0.000 -1.731 -0.000) 1.731 8.453 ( 0.000 0.320 0.000) 0.320 8.517 ( -0.000 -0.745 0.000) 0.745 8.603 ( 0.000 -0.418 -0.000) 0.418 8.696 ( -0.000 -3.211 0.000) 3.211 8.966 ( -0.000 4.080 0.000) 4.080 9.017 ( -0.000 3.358 0.000) 3.358 9.179 ( 0.000 -2.129 0.000) 2.129 9.231 ( 0.000 -3.113 -0.000) 3.113 13.041 ( 0.000 12.557 0.000) 12.557 13.190 ( 0.000 15.012 0.000) 15.012 13.806 ( 0.000 -12.311 0.000) 12.311 14.011 ( -0.000 -10.518 0.000) 10.518 16.950 ( -0.000 -3.046 0.000) 3.046 16.961 ( 0.000 -1.025 -0.000) 1.025 17.009 ( 0.000 -0.827 -0.000) 0.827 17.043 ( -0.000 -3.809 0.000) 3.809 17.328 ( -0.000 1.151 0.000) 1.151 17.360 ( 0.000 0.369 0.000) 0.369 17.433 ( 0.000 2.255 -0.000) 2.255 17.525 ( 0.000 -3.347 -0.000) 3.347 17.603 ( 0.000 0.423 -0.000) 0.423 17.683 ( 0.000 -2.281 0.000) 2.281 17.954 ( -0.000 -0.210 0.000) 0.210 17.956 ( 0.000 0.600 -0.000) 0.600 18.071 ( 0.000 -0.412 -0.000) 0.412 18.087 ( -0.000 -0.928 0.000) 0.928 18.189 ( 0.000 1.858 0.000) 1.858 18.197 ( 0.000 1.176 -0.000) 1.176 18.782 ( -0.000 -3.286 0.000) 3.286 18.797 ( 0.000 -2.550 -0.000) 2.550 18.980 ( 0.000 -0.519 0.000) 0.519 18.991 ( -0.000 -0.710 0.000) 0.710 19.403 ( -0.000 -4.617 0.000) 4.617 19.427 ( 0.000 -7.327 0.000) 7.327 19.820 ( 0.000 4.540 0.000) 4.540 19.905 ( -0.000 0.310 -0.000) 0.310 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.000 15.557 0.000) 15.557 1.789 ( 0.000 7.642 0.000) 7.642 1.843 ( 0.000 -4.016 0.000) 4.016 1.950 ( 0.000 -3.309 0.000) 3.309 2.082 ( 0.000 -5.756 0.000) 5.756 2.154 ( 0.000 -9.035 0.000) 9.035 2.380 ( 0.000 17.386 0.000) 17.386 2.487 ( 0.000 17.499 0.000) 17.499 2.501 ( 0.000 7.466 0.000) 7.466 2.567 ( 0.000 -1.043 0.000) 1.043 2.740 ( 0.000 -5.575 0.000) 5.575 2.763 ( 0.000 -0.401 0.000) 0.401 2.887 ( 0.000 -10.332 0.000) 10.332 2.902 ( 0.000 10.114 0.000) 10.114 2.922 ( 0.000 -13.050 0.000) 13.050 3.088 ( 0.000 -2.174 0.000) 2.174 3.117 ( 0.000 4.001 0.000) 4.001 3.211 ( 0.000 -7.860 0.000) 7.860 3.455 ( 0.000 7.010 0.000) 7.010 3.501 ( 0.000 7.996 0.000) 7.996 3.527 ( 0.000 2.000 0.000) 2.000 3.635 ( 0.000 17.153 0.000) 17.153 3.675 ( 0.000 -4.229 0.000) 4.229 3.686 ( 0.000 -8.983 0.000) 8.983 3.779 ( 0.000 -10.077 0.000) 10.077 3.947 ( 0.000 -8.966 0.000) 8.966 4.089 ( 0.000 0.012 0.000) 0.012 4.120 ( 0.000 1.044 0.000) 1.044 4.204 ( 0.000 2.336 0.000) 2.336 4.236 ( 0.000 3.154 0.000) 3.154 4.278 ( 0.000 -2.296 0.000) 2.296 4.331 ( 0.000 -2.209 0.000) 2.209 4.495 ( 0.000 6.707 0.000) 6.707 4.663 ( 0.000 -8.159 0.000) 8.159 4.667 ( 0.000 5.193 0.000) 5.193 4.766 ( 0.000 -4.451 0.000) 4.451 5.129 ( 0.000 -0.583 0.000) 0.583 5.134 ( 0.000 -0.618 0.000) 0.618 5.284 ( 0.000 8.495 0.000) 8.495 5.360 ( 0.000 -1.253 0.000) 1.253 5.386 ( 0.000 -2.757 0.000) 2.757 5.477 ( 0.000 -9.121 0.000) 9.121 5.729 ( 0.000 0.079 0.000) 0.079 5.747 ( 0.000 -1.966 0.000) 1.966 5.827 ( 0.000 2.796 0.000) 2.796 5.930 ( 0.000 -6.304 0.000) 6.304 5.962 ( 0.000 0.453 0.000) 0.453 6.009 ( 0.000 -4.513 0.000) 4.513 6.637 ( 0.000 1.685 0.000) 1.685 6.658 ( 0.000 -0.365 0.000) 0.365 6.813 ( 0.000 2.929 0.000) 2.929 6.869 ( 0.000 -2.346 0.000) 2.346 6.951 ( 0.000 2.569 0.000) 2.569 6.979 ( 0.000 -0.520 0.000) 0.520 7.099 ( 0.000 4.753 0.000) 4.753 7.183 ( 0.000 -3.428 0.000) 3.428 7.226 ( 0.000 4.199 0.000) 4.199 7.282 ( 0.000 -0.974 0.000) 0.974 7.479 ( 0.000 0.281 0.000) 0.281 7.489 ( 0.000 -0.643 0.000) 0.643 7.515 ( 0.000 3.425 0.000) 3.425 7.600 ( 0.000 -4.269 0.000) 4.269 7.767 ( 0.000 0.934 0.000) 0.934 7.813 ( 0.000 -3.076 0.000) 3.076 7.882 ( 0.000 3.063 0.000) 3.063 7.943 ( 0.000 -0.067 0.000) 0.067 7.943 ( 0.000 -1.891 0.000) 1.891 7.966 ( 0.000 -2.789 0.000) 2.789 8.195 ( 0.000 4.626 0.000) 4.626 8.288 ( 0.000 -3.903 0.000) 3.903 8.353 ( 0.000 0.853 0.000) 0.853 8.362 ( 0.000 0.097 0.000) 0.097 8.447 ( 0.000 0.312 0.000) 0.312 8.463 ( 0.000 -1.072 0.000) 1.072 8.648 ( 0.000 2.509 0.000) 2.509 8.692 ( 0.000 -1.657 0.000) 1.657 9.062 ( 0.000 1.568 0.000) 1.568 9.093 ( 0.000 -1.562 0.000) 1.562 9.138 ( 0.000 2.733 0.000) 2.733 9.186 ( 0.000 -2.024 0.000) 2.024 13.375 ( 0.000 14.742 0.000) 14.742 13.415 ( 0.000 8.213 0.000) 8.213 13.597 ( 0.000 -9.284 0.000) 9.284 13.669 ( 0.000 -13.913 0.000) 13.913 16.999 ( 0.000 0.023 0.000) 0.023 17.005 ( 0.000 -0.546 0.000) 0.546 17.252 ( 0.000 6.301 0.000) 6.301 17.306 ( 0.000 5.611 0.000) 5.611 17.389 ( 0.000 -4.872 0.000) 4.872 17.429 ( 0.000 -2.932 0.000) 2.932 17.451 ( 0.000 0.561 0.000) 0.561 17.486 ( 0.000 -2.067 0.000) 2.067 17.583 ( 0.000 0.508 0.000) 0.508 17.604 ( 0.000 -1.669 0.000) 1.669 17.871 ( 0.000 3.560 0.000) 3.560 17.937 ( 0.000 -2.683 0.000) 2.683 18.106 ( 0.000 0.229 0.000) 0.229 18.112 ( 0.000 -0.364 0.000) 0.364 18.151 ( 0.000 1.673 0.000) 1.673 18.184 ( 0.000 -1.352 0.000) 1.352 18.804 ( 0.000 1.040 0.000) 1.040 18.831 ( 0.000 -1.076 0.000) 1.076 18.910 ( 0.000 1.984 0.000) 1.984 18.992 ( 0.000 -5.463 0.000) 5.463 19.401 ( 0.000 -1.118 0.000) 1.118 19.437 ( 0.000 -4.361 0.000) 4.361 19.620 ( 0.000 4.475 0.000) 4.475 19.706 ( 0.000 -3.837 0.000) 3.837 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -8.266 5.194 -1.599) 9.893 1.733 ( -2.901 1.525 4.175) 5.307 1.828 ( -2.926 3.859 5.798) 7.555 1.990 ( 2.867 -2.432 2.369) 4.443 2.178 ( 4.490 -0.485 1.980) 4.931 2.210 ( -0.597 0.957 -2.024) 2.317 2.248 ( -3.452 3.731 0.362) 5.096 2.362 ( -8.408 -0.051 -4.320) 9.453 2.555 ( -2.253 3.856 -4.050) 6.029 2.569 ( -1.342 3.550 -3.795) 5.367 2.673 ( -4.448 0.164 -6.919) 8.227 2.685 ( 7.702 12.302 5.620) 15.565 2.829 ( -1.434 0.852 0.674) 1.799 2.911 ( -2.914 1.013 -0.945) 3.227 3.015 ( -5.352 4.055 0.180) 6.717 3.030 ( -3.483 -2.445 1.188) 4.418 3.100 ( 3.619 -12.020 4.297) 13.269 3.138 ( -4.047 -5.869 -1.177) 7.225 3.445 ( -0.156 3.788 3.111) 4.904 3.503 ( -0.415 0.998 -3.237) 3.413 3.610 ( 2.986 1.284 2.126) 3.884 3.623 ( 1.346 0.697 -1.689) 2.270 3.729 ( 2.962 8.172 5.090) 10.073 3.767 ( 5.911 -1.046 -3.293) 6.847 3.857 ( 7.284 -6.015 2.821) 9.859 3.980 ( 2.391 -6.263 0.810) 6.752 4.071 ( -3.768 3.892 -3.674) 6.545 4.105 ( 1.997 -1.479 -2.146) 3.283 4.173 ( -5.762 -0.200 -2.324) 6.217 4.185 ( -0.907 -1.126 0.434) 1.510 4.236 ( -1.030 2.453 -2.759) 3.833 4.313 ( -0.557 -3.789 -2.729) 4.702 4.520 ( 2.071 4.603 -0.754) 5.103 4.658 ( -0.271 -6.537 -0.984) 6.616 4.681 ( 0.555 4.673 2.335) 5.253 4.773 ( 0.047 -3.532 1.759) 3.946 5.143 ( 1.345 1.781 -1.725) 2.821 5.173 ( 2.521 -1.482 1.080) 3.117 5.246 ( 0.519 3.407 -1.231) 3.660 5.320 ( -2.126 -4.063 -3.661) 5.868 5.438 ( 2.103 -1.555 3.135) 4.083 5.471 ( 0.072 -4.125 -0.112) 4.128 5.719 ( 0.661 3.399 -0.885) 3.574 5.795 ( 0.395 -2.913 3.752) 4.767 5.896 ( -0.584 0.259 2.381) 2.465 5.946 ( 0.429 -4.159 8.917) 9.849 6.039 ( 4.532 -2.029 6.786) 8.409 6.056 ( 3.054 -3.078 6.522) 7.832 6.543 ( -3.175 4.437 -9.130) 10.636 6.630 ( -1.412 -3.376 -7.002) 7.900 6.771 ( -3.240 2.345 -0.846) 4.088 6.816 ( -3.592 -2.023 0.496) 4.152 6.919 ( -1.073 3.521 -4.857) 6.094 6.986 ( -1.026 -2.936 -2.104) 3.755 7.052 ( -1.475 5.650 -2.677) 6.424 7.152 ( -2.060 -3.798 -1.141) 4.468 7.231 ( 0.581 4.502 2.482) 5.173 7.311 ( 2.108 -2.559 0.072) 3.316 7.460 ( 1.396 0.957 -3.779) 4.141 7.487 ( 0.053 -1.595 -1.778) 2.389 7.565 ( 2.662 3.615 2.856) 5.321 7.631 ( 1.548 -2.453 1.643) 3.333 7.776 ( -0.556 0.866 2.961) 3.135 7.824 ( -1.517 -3.423 2.902) 4.738 7.906 ( 1.189 1.811 0.239) 2.179 7.930 ( 0.331 -0.911 -0.731) 1.214 7.988 ( 3.814 0.374 1.309) 4.050 8.013 ( 3.651 -1.646 2.381) 4.659 8.205 ( 0.905 4.542 -0.266) 4.639 8.293 ( -0.235 -3.233 0.071) 3.242 8.327 ( -1.573 0.158 -1.156) 1.958 8.334 ( -1.550 -0.142 -0.780) 1.741 8.460 ( 0.975 -0.074 0.539) 1.117 8.470 ( -0.032 -0.839 1.017) 1.318 8.634 ( -1.073 2.841 -0.502) 3.078 8.686 ( -0.864 -2.085 0.295) 2.276 9.056 ( -0.092 2.390 -0.523) 2.448 9.099 ( 0.984 -0.864 -1.226) 1.794 9.131 ( -0.726 1.439 0.431) 1.669 9.178 ( -0.425 -2.233 -0.703) 2.379 13.370 ( -1.381 12.349 -1.093) 12.474 13.420 ( 1.124 11.754 1.448) 11.896 13.594 ( -0.428 -10.472 -0.782) 10.510 13.690 ( 1.771 -13.416 1.089) 13.576 16.994 ( -0.377 0.098 -0.239) 0.457 17.001 ( -0.388 -0.612 0.045) 0.726 17.184 ( -6.576 3.048 -3.029) 7.856 17.201 ( -8.517 1.892 -5.163) 10.138 17.326 ( -2.616 0.250 4.324) 5.059 17.350 ( -4.110 -1.438 2.312) 4.930 17.486 ( -0.173 -0.238 1.305) 1.338 17.508 ( -0.218 -2.410 1.811) 3.022 17.598 ( 2.649 0.668 -2.650) 3.806 17.614 ( 2.103 -1.139 -2.513) 3.469 17.949 ( 4.208 2.462 2.101) 5.309 17.992 ( 3.353 -1.622 0.917) 3.836 18.093 ( -1.719 0.608 -1.001) 2.080 18.103 ( -1.631 -0.271 -0.483) 1.722 18.140 ( 0.567 1.280 0.069) 1.402 18.169 ( -0.038 -1.352 -0.598) 1.479 18.776 ( -2.055 0.598 -0.059) 2.141 18.807 ( -1.901 -2.109 -0.729) 2.932 18.922 ( 1.035 2.286 0.115) 2.512 18.993 ( -0.157 -4.578 0.265) 4.588 19.380 ( -0.746 -0.856 -2.418) 2.672 19.419 ( -1.337 -4.376 -1.383) 4.780 19.687 ( 4.627 4.093 3.229) 6.970 19.762 ( 3.871 -3.158 2.665) 5.662 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -4.532 2.623 -0.950) 5.322 1.605 ( -10.087 -10.730 4.053) 15.274 1.931 ( -1.350 9.065 7.809) 12.041 2.007 ( -4.576 -0.115 -0.796) 4.646 2.062 ( -1.428 4.631 -4.946) 6.925 2.139 ( -4.234 -2.187 -5.983) 7.649 2.204 ( -0.090 2.355 -1.083) 2.594 2.351 ( 2.565 -2.446 4.085) 5.408 2.463 ( -1.496 4.736 -0.483) 4.990 2.553 ( 3.004 -0.654 0.940) 3.215 2.684 ( 4.068 8.657 -5.459) 11.013 2.752 ( -2.102 5.405 -0.920) 5.872 2.774 ( -4.935 2.458 -5.060) 7.483 2.873 ( -0.621 7.893 4.269) 8.995 2.965 ( 2.232 -8.696 -2.369) 9.285 3.020 ( 2.478 6.032 6.196) 8.995 3.077 ( -3.594 -6.614 7.714) 10.778 3.229 ( 1.274 -8.163 9.584) 12.654 3.440 ( -0.268 0.709 -7.006) 7.046 3.473 ( -0.380 -0.761 -1.322) 1.572 3.608 ( -1.439 -1.182 -3.797) 4.229 3.633 ( -1.849 -3.244 0.806) 3.820 3.798 ( 2.558 7.935 -6.095) 10.328 3.848 ( 2.430 6.043 3.613) 7.449 3.976 ( -2.623 3.897 3.594) 5.915 4.003 ( 1.432 -1.394 -4.463) 4.890 4.029 ( 2.717 -4.461 4.110) 6.646 4.069 ( 3.811 0.152 -3.182) 4.967 4.140 ( 0.452 1.585 0.104) 1.651 4.166 ( -1.077 -2.771 -0.802) 3.079 4.177 ( -1.341 -0.651 -2.415) 2.838 4.254 ( -1.524 -4.538 -4.858) 6.820 4.539 ( 1.287 2.223 -1.551) 3.001 4.629 ( -1.397 -5.076 -1.196) 5.399 4.727 ( 0.969 3.801 2.541) 4.674 4.803 ( 0.181 -2.691 3.058) 4.077 5.114 ( -0.398 5.473 -3.323) 6.415 5.224 ( 1.777 -4.659 -0.209) 4.991 5.289 ( 2.514 -0.390 -1.049) 2.752 5.314 ( 3.977 -1.607 1.226) 4.462 5.456 ( -1.049 -1.762 -0.559) 2.126 5.489 ( 0.801 -4.485 1.316) 4.743 5.722 ( -0.502 1.902 -0.681) 2.081 5.765 ( -2.909 -2.342 -1.504) 4.026 5.943 ( -0.503 4.517 8.934) 10.024 6.062 ( 0.471 -6.698 12.842) 14.492 6.179 ( 2.250 4.255 5.781) 7.522 6.272 ( 6.141 -4.729 9.350) 12.145 6.384 ( -1.098 4.166 -8.168) 9.234 6.490 ( -1.502 -5.234 -11.164) 12.421 6.679 ( -4.131 4.218 -4.338) 7.326 6.763 ( -3.721 -3.350 0.522) 5.033 6.819 ( -2.350 2.034 -4.975) 5.866 6.876 ( -3.240 -3.081 -6.355) 7.770 7.038 ( 0.282 4.481 -0.570) 4.525 7.132 ( -0.004 -4.083 0.288) 4.094 7.277 ( 1.136 3.331 2.051) 4.073 7.338 ( 0.842 -2.211 0.239) 2.378 7.456 ( 0.644 0.411 -1.848) 1.999 7.475 ( 0.818 -1.389 -1.523) 2.217 7.640 ( 2.020 3.444 2.267) 4.592 7.671 ( 1.138 0.723 0.922) 1.633 7.786 ( -0.937 -0.869 1.222) 1.768 7.805 ( -1.356 -2.374 0.378) 2.760 7.936 ( 1.711 0.548 0.302) 1.822 7.943 ( 1.495 -0.207 -0.443) 1.573 8.095 ( 3.939 1.157 2.677) 4.901 8.110 ( 2.797 -0.176 2.617) 3.835 8.209 ( -0.822 2.838 -0.062) 2.955 8.252 ( -1.588 -0.491 -2.084) 2.666 8.285 ( -1.379 1.572 -0.269) 2.109 8.336 ( 0.400 -3.179 1.381) 3.489 8.478 ( 0.271 0.241 0.437) 0.568 8.491 ( 1.585 -1.110 0.179) 1.944 8.605 ( -1.234 2.589 -0.239) 2.878 8.661 ( -1.823 -2.710 -0.014) 3.266 9.052 ( 0.165 3.660 -0.400) 3.685 9.095 ( 0.376 2.634 -1.928) 3.285 9.127 ( -0.432 -2.465 0.854) 2.644 9.163 ( -0.193 -3.005 -0.520) 3.056 13.320 ( -1.786 11.962 -1.340) 12.169 13.469 ( 1.586 14.063 1.771) 14.263 13.566 ( -0.937 -12.143 -1.348) 12.254 13.746 ( 2.096 -12.740 1.525) 13.001 16.976 ( -1.384 0.229 -1.551) 2.092 16.985 ( -2.936 -0.485 -1.443) 3.308 17.006 ( -3.681 0.220 -1.419) 3.951 17.027 ( -5.055 -1.730 -2.083) 5.735 17.334 ( -1.528 0.946 5.153) 5.457 17.344 ( -1.851 0.105 5.498) 5.802 17.482 ( -0.283 0.735 -0.344) 0.860 17.504 ( -0.997 -1.298 -0.118) 1.641 17.617 ( 2.320 0.629 -3.601) 4.329 17.632 ( 1.903 -1.120 -1.547) 2.696 17.984 ( -1.213 0.670 -1.783) 2.258 17.994 ( -2.689 -0.319 -1.274) 2.993 18.062 ( 0.811 0.402 -0.816) 1.219 18.073 ( 0.149 -0.669 -0.429) 0.809 18.184 ( 2.078 0.962 1.790) 2.906 18.195 ( 1.453 -0.051 1.378) 2.003 18.745 ( -1.136 -0.385 0.138) 1.208 18.765 ( -1.517 -2.187 -0.433) 2.697 18.946 ( 1.297 1.347 0.191) 1.879 18.988 ( -0.708 -2.703 0.271) 2.807 19.338 ( -0.518 -1.127 -2.612) 2.891 19.366 ( -2.207 -3.695 -1.466) 4.547 19.818 ( 4.529 3.086 3.288) 6.391 19.865 ( 3.294 -1.580 2.287) 4.310 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 -0.573 -0.000) 0.573 1.509 ( -0.000 -9.199 -0.000) 9.199 1.927 ( -0.000 1.270 0.000) 1.270 1.953 ( 0.000 -0.936 -0.000) 0.936 2.014 ( -0.000 3.994 -0.000) 3.994 2.035 ( -0.000 2.106 -0.000) 2.106 2.258 ( 0.000 7.603 0.000) 7.603 2.395 ( -0.000 -3.437 -0.000) 3.437 2.481 ( 0.000 7.160 -0.000) 7.160 2.608 ( -0.000 -3.182 -0.000) 3.182 2.637 ( 0.000 6.303 0.000) 6.303 2.676 ( -0.000 1.325 -0.000) 1.325 2.757 ( -0.000 11.823 0.000) 11.823 2.862 ( -0.000 4.718 0.000) 4.718 2.995 ( -0.000 -10.389 0.000) 10.389 3.060 ( 0.000 -9.138 0.000) 9.138 3.210 ( -0.000 4.923 -0.000) 4.923 3.335 ( 0.000 1.901 0.000) 1.901 3.353 ( 0.000 -3.297 0.000) 3.297 3.400 ( -0.000 -3.434 -0.000) 3.434 3.540 ( -0.000 1.870 0.000) 1.870 3.606 ( 0.000 -3.420 -0.000) 3.420 3.776 ( 0.000 5.971 -0.000) 5.971 3.897 ( 0.000 -2.048 0.000) 2.048 3.991 ( 0.000 6.339 -0.000) 6.339 4.006 ( -0.000 5.866 0.000) 5.866 4.059 ( 0.000 4.104 0.000) 4.104 4.098 ( 0.000 1.505 -0.000) 1.505 4.138 ( 0.000 -2.912 0.000) 2.912 4.153 ( 0.000 -4.865 0.000) 4.865 4.177 ( -0.000 -5.149 0.000) 5.149 4.192 ( -0.000 -2.166 -0.000) 2.166 4.546 ( -0.000 0.987 0.000) 0.987 4.602 ( 0.000 -4.883 -0.000) 4.883 4.750 ( 0.000 3.098 0.000) 3.098 4.822 ( -0.000 -2.973 0.000) 2.973 5.092 ( 0.000 7.271 -0.000) 7.271 5.242 ( 0.000 -6.088 0.000) 6.088 5.321 ( 0.000 0.152 0.000) 0.152 5.370 ( -0.000 -5.070 -0.000) 5.070 5.436 ( 0.000 2.083 0.000) 2.083 5.505 ( -0.000 -5.115 0.000) 5.115 5.703 ( 0.000 -0.658 0.000) 0.658 5.718 ( 0.000 -1.738 -0.000) 1.738 6.020 ( -0.000 7.018 -0.000) 7.018 6.128 ( 0.000 2.031 0.000) 2.031 6.200 ( 0.000 -1.714 0.000) 1.714 6.309 ( 0.000 -4.752 -0.000) 4.752 6.439 ( -0.000 0.222 -0.000) 0.222 6.450 ( 0.000 0.174 0.000) 0.174 6.602 ( 0.000 0.697 0.000) 0.697 6.663 ( -0.000 -3.994 0.000) 3.994 6.774 ( 0.000 1.303 0.000) 1.303 6.816 ( 0.000 -2.850 0.000) 2.850 7.037 ( 0.000 4.428 0.000) 4.428 7.135 ( 0.000 -4.782 0.000) 4.782 7.298 ( 0.000 3.144 -0.000) 3.144 7.352 ( -0.000 -2.301 0.000) 2.301 7.449 ( 0.000 0.931 -0.000) 0.931 7.479 ( 0.000 -1.817 0.000) 1.817 7.673 ( 0.000 3.509 0.000) 3.509 7.687 ( -0.000 2.694 -0.000) 2.694 7.782 ( 0.000 -1.470 0.000) 1.470 7.793 ( 0.000 -2.462 -0.000) 2.462 7.958 ( 0.000 0.208 0.000) 0.208 7.960 ( 0.000 -0.037 -0.000) 0.037 8.151 ( -0.000 1.205 0.000) 1.205 8.166 ( 0.000 3.142 0.000) 3.142 8.173 ( 0.000 -0.950 -0.000) 0.950 8.224 ( 0.000 -1.473 0.000) 1.473 8.276 ( 0.000 3.829 0.000) 3.829 8.350 ( 0.000 -3.853 0.000) 3.853 8.488 ( 0.000 1.635 0.000) 1.635 8.506 ( -0.000 -0.429 0.000) 0.429 8.598 ( 0.000 0.420 0.000) 0.420 8.632 ( -0.000 -2.745 0.000) 2.745 9.052 ( -0.000 4.168 0.000) 4.168 9.087 ( 0.000 3.461 0.000) 3.461 9.127 ( 0.000 -3.027 0.000) 3.027 9.161 ( 0.000 -3.705 -0.000) 3.705 13.294 ( 0.000 12.264 0.000) 12.264 13.496 ( 0.000 14.636 0.000) 14.636 13.547 ( 0.000 -12.636 0.000) 12.636 13.777 ( 0.000 -12.654 0.000) 12.654 16.913 ( 0.000 -0.327 0.000) 0.327 16.933 ( 0.000 -1.763 -0.000) 1.763 16.991 ( 0.000 -0.861 -0.000) 0.861 16.993 ( -0.000 -0.646 0.000) 0.646 17.350 ( 0.000 0.912 0.000) 0.912 17.363 ( 0.000 -0.248 0.000) 0.248 17.473 ( -0.000 1.384 -0.000) 1.384 17.489 ( 0.000 -0.631 0.000) 0.631 17.619 ( 0.000 0.976 -0.000) 0.976 17.644 ( 0.000 -1.504 0.000) 1.504 17.948 ( -0.000 -0.032 0.000) 0.032 17.955 ( 0.000 -0.478 -0.000) 0.478 18.070 ( 0.000 0.140 -0.000) 0.140 18.074 ( -0.000 -0.348 0.000) 0.348 18.218 ( 0.000 0.803 0.000) 0.803 18.219 ( -0.000 0.682 -0.000) 0.682 18.736 ( -0.000 -0.916 0.000) 0.916 18.748 ( 0.000 -1.868 -0.000) 1.868 18.969 ( 0.000 -0.292 0.000) 0.292 18.974 ( -0.000 -0.736 0.000) 0.736 19.324 ( -0.000 -2.371 0.000) 2.371 19.327 ( 0.000 -2.320 -0.000) 2.320 19.887 ( 0.000 2.025 0.000) 2.025 19.908 ( -0.000 -0.225 -0.000) 0.225 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 11.440 0.000 22.208) 24.981 0.548 ( -12.423 0.000 28.416) 31.013 0.752 ( -2.043 0.000 38.256) 38.311 1.770 ( -5.804 0.000 -18.266) 19.166 1.932 ( -3.538 0.000 0.066) 3.539 2.018 ( 8.363 0.000 -18.809) 20.585 2.101 ( -1.924 0.000 3.358) 3.870 2.204 ( -5.093 0.000 5.256) 7.319 2.337 ( 0.926 0.000 7.128) 7.188 2.340 ( 0.007 0.000 -3.037) 3.037 2.465 ( -10.124 0.000 -7.627) 12.675 2.499 ( 1.126 0.000 -2.229) 2.497 2.736 ( 10.081 0.000 3.108) 10.549 2.825 ( -1.305 0.000 6.641) 6.768 2.840 ( -2.837 0.000 3.048) 4.164 3.031 ( 2.910 0.000 -11.004) 11.382 3.086 ( -2.039 0.000 -2.749) 3.423 3.263 ( 3.848 0.000 -2.557) 4.620 3.314 ( 6.374 0.000 6.440) 9.061 3.411 ( -0.965 0.000 -4.227) 4.336 3.422 ( 4.462 0.000 -2.583) 5.156 3.588 ( -2.716 0.000 5.688) 6.303 3.663 ( -1.867 0.000 3.928) 4.349 3.872 ( 3.053 0.000 0.945) 3.196 3.948 ( -5.838 0.000 -0.074) 5.838 4.027 ( 4.444 0.000 -7.573) 8.781 4.153 ( 6.046 0.000 5.496) 8.171 4.206 ( -2.812 0.000 -1.679) 3.275 4.255 ( 3.575 0.000 3.928) 5.311 4.269 ( -2.004 0.000 -5.559) 5.909 4.486 ( 1.575 0.000 -1.521) 2.190 4.490 ( -3.417 0.000 -2.947) 4.513 4.540 ( 0.208 0.000 -3.150) 3.156 4.554 ( 0.915 0.000 1.073) 1.410 4.734 ( -3.820 0.000 0.025) 3.820 4.785 ( -2.343 0.000 -0.484) 2.393 5.010 ( -3.085 0.000 7.240) 7.870 5.039 ( 3.440 0.000 9.231) 9.851 5.379 ( -1.876 0.000 -5.742) 6.041 5.588 ( -2.300 0.000 -5.979) 6.406 5.800 ( -1.910 0.000 -0.311) 1.935 5.946 ( -5.598 0.000 -3.821) 6.778 5.952 ( -0.127 0.000 3.439) 3.442 5.976 ( 5.139 0.000 0.616) 5.176 6.195 ( 2.672 0.000 -1.746) 3.192 6.246 ( 3.163 0.000 -0.082) 3.165 6.306 ( 0.054 0.000 0.436) 0.439 6.355 ( 5.888 0.000 6.875) 9.052 6.496 ( -0.125 0.000 -2.863) 2.866 6.552 ( -1.254 0.000 3.572) 3.786 6.726 ( -2.026 0.000 -0.439) 2.073 6.769 ( 3.437 0.000 -4.330) 5.528 6.863 ( 0.457 0.000 -0.792) 0.914 6.903 ( 1.898 0.000 -1.378) 2.345 7.139 ( 0.997 0.000 3.684) 3.817 7.228 ( 5.978 0.000 -1.039) 6.067 7.229 ( 1.925 0.000 2.903) 3.484 7.330 ( 2.951 0.000 0.540) 3.000 7.474 ( 2.071 0.000 -0.432) 2.116 7.508 ( -14.567 0.000 2.234) 14.737 7.577 ( -0.919 0.000 3.706) 3.818 7.613 ( 0.034 0.000 1.472) 1.473 7.687 ( -0.940 0.000 -2.626) 2.789 7.789 ( 2.813 0.000 0.315) 2.831 7.972 ( 0.130 0.000 -0.368) 0.390 7.999 ( -2.673 0.000 -1.209) 2.934 8.067 ( -7.037 0.000 -2.473) 7.459 8.138 ( 0.812 0.000 -1.377) 1.599 8.227 ( 0.367 0.000 -0.812) 0.891 8.247 ( 0.518 0.000 -0.828) 0.976 8.304 ( 2.629 0.000 2.248) 3.459 8.330 ( -0.621 0.000 1.092) 1.256 8.481 ( -3.432 0.000 -3.488) 4.893 8.532 ( 2.682 0.000 -3.959) 4.782 8.695 ( -1.746 0.000 2.888) 3.374 8.714 ( 3.584 0.000 2.731) 4.506 8.813 ( 1.004 0.000 0.512) 1.127 8.929 ( -3.547 0.000 -3.473) 4.964 9.238 ( 2.045 0.000 2.507) 3.236 9.312 ( -1.013 0.000 -0.058) 1.014 12.507 ( -0.169 0.000 0.037) 0.173 12.515 ( 0.194 0.000 -0.154) 0.247 14.045 ( -1.058 0.000 3.297) 3.462 14.389 ( 5.256 0.000 -5.139) 7.350 16.899 ( 1.516 0.000 3.361) 3.687 17.006 ( 0.526 0.000 3.052) 3.097 17.023 ( -1.933 0.000 3.939) 4.388 17.059 ( -5.337 0.000 2.655) 5.961 17.229 ( -3.926 0.000 -5.539) 6.789 17.292 ( -5.765 0.000 -3.383) 6.684 17.368 ( 2.858 0.000 -5.114) 5.859 17.393 ( 1.204 0.000 -4.609) 4.764 17.726 ( 2.678 0.000 8.698) 9.101 17.878 ( -0.719 0.000 2.107) 2.226 18.041 ( -0.347 0.000 -1.881) 1.913 18.099 ( -1.732 0.000 -0.853) 1.930 18.142 ( 0.728 0.000 0.824) 1.099 18.147 ( -0.070 0.000 2.262) 2.264 18.191 ( 0.904 0.000 0.062) 0.906 18.283 ( 0.396 0.000 -0.516) 0.651 18.708 ( -0.997 0.000 0.576) 1.152 18.786 ( 0.304 0.000 -1.524) 1.554 19.109 ( -1.626 0.000 2.753) 3.197 19.302 ( 17.552 0.000 0.544) 17.561 19.442 ( -5.307 0.000 -1.762) 5.592 19.766 ( -0.946 0.000 5.061) 5.149 19.792 ( -1.765 0.000 -6.458) 6.695 20.019 ( 0.561 0.000 -1.936) 2.016 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 1.803 0.000 22.902) 22.973 0.730 ( 2.977 0.000 25.886) 26.057 1.398 ( -6.125 0.000 -24.288) 25.048 1.455 ( 27.751 0.000 25.402) 37.621 1.901 ( -0.528 0.000 0.663) 0.847 1.997 ( 2.366 0.000 -11.264) 11.510 2.067 ( -4.985 0.000 -2.208) 5.452 2.130 ( -3.642 0.000 1.344) 3.882 2.184 ( -8.597 0.000 -6.565) 10.817 2.367 ( 6.190 0.000 -1.903) 6.476 2.490 ( 7.601 0.000 9.520) 12.182 2.506 ( 2.468 0.000 -2.896) 3.805 2.756 ( -6.495 0.000 1.343) 6.632 2.836 ( -4.264 0.000 6.496) 7.770 2.945 ( 8.375 0.000 1.209) 8.462 2.951 ( 0.784 0.000 -9.596) 9.628 3.092 ( 1.517 0.000 -1.667) 2.254 3.252 ( 1.798 0.000 -8.754) 8.937 3.393 ( -0.018 0.000 -0.139) 0.140 3.424 ( -1.606 0.000 -2.190) 2.716 3.479 ( 0.823 0.000 1.630) 1.826 3.586 ( 0.230 0.000 1.859) 1.873 3.705 ( 1.864 0.000 4.640) 5.001 3.840 ( -2.338 0.000 -1.296) 2.673 3.945 ( 0.608 0.000 0.168) 0.631 4.046 ( -0.635 0.000 -3.528) 3.584 4.089 ( -1.936 0.000 -3.921) 4.373 4.164 ( -1.296 0.000 -2.052) 2.427 4.326 ( 0.066 0.000 0.079) 0.103 4.337 ( 5.370 0.000 3.104) 6.202 4.400 ( -0.811 0.000 -1.596) 1.790 4.457 ( -2.277 0.000 -7.152) 7.506 4.522 ( -0.519 0.000 0.800) 0.954 4.527 ( -1.701 0.000 2.754) 3.237 4.711 ( -0.784 0.000 2.338) 2.465 4.823 ( 1.891 0.000 0.684) 2.011 4.997 ( -3.915 0.000 6.004) 7.168 5.175 ( 0.856 0.000 8.325) 8.369 5.302 ( -1.608 0.000 -2.798) 3.227 5.470 ( -2.289 0.000 -7.445) 7.789 5.718 ( -4.598 0.000 -0.401) 4.615 5.775 ( -8.559 0.000 -2.805) 9.007 5.989 ( 2.869 0.000 0.479) 2.909 6.055 ( 0.977 0.000 2.495) 2.679 6.200 ( -4.088 0.000 -1.581) 4.383 6.241 ( 5.050 0.000 -3.275) 6.019 6.321 ( -0.661 0.000 2.487) 2.573 6.410 ( -8.682 0.000 0.691) 8.710 6.534 ( -2.670 0.000 0.254) 2.682 6.535 ( 2.950 0.000 7.165) 7.748 6.715 ( 2.661 0.000 -1.831) 3.230 6.808 ( -10.770 0.000 3.881) 11.448 6.824 ( 3.788 0.000 -1.754) 4.174 6.880 ( 2.808 0.000 -0.581) 2.868 7.111 ( -2.510 0.000 1.609) 2.982 7.176 ( -1.236 0.000 3.669) 3.872 7.240 ( -2.511 0.000 -0.288) 2.527 7.271 ( 1.680 0.000 -0.247) 1.699 7.434 ( -1.472 0.000 0.697) 1.628 7.530 ( 0.562 0.000 2.988) 3.040 7.587 ( -2.663 0.000 3.698) 4.557 7.619 ( -0.861 0.000 0.698) 1.109 7.652 ( -0.291 0.000 -1.682) 1.707 7.849 ( 3.113 0.000 -0.582) 3.166 7.952 ( -0.445 0.000 -1.956) 2.006 7.988 ( 1.201 0.000 0.939) 1.524 8.032 ( -0.856 0.000 0.425) 0.956 8.125 ( 0.168 0.000 -2.327) 2.333 8.206 ( -1.888 0.000 -0.580) 1.975 8.232 ( 0.213 0.000 1.282) 1.299 8.314 ( -2.088 0.000 0.623) 2.179 8.388 ( 3.807 0.000 -1.436) 4.069 8.397 ( -1.334 0.000 -3.128) 3.400 8.553 ( 2.648 0.000 -2.147) 3.409 8.662 ( -2.950 0.000 0.686) 3.028 8.770 ( -1.692 0.000 1.877) 2.527 8.849 ( 0.661 0.000 -3.168) 3.236 8.857 ( 1.636 0.000 2.450) 2.946 9.277 ( -1.784 0.000 0.166) 1.792 9.299 ( 1.630 0.000 1.725) 2.374 12.504 ( -0.141 0.000 0.003) 0.141 12.520 ( 0.345 0.000 -0.097) 0.359 14.088 ( 1.350 0.000 4.208) 4.419 14.495 ( 8.543 0.000 -14.096) 16.482 17.013 ( -2.245 0.000 4.114) 4.686 17.026 ( 6.281 0.000 5.126) 8.107 17.036 ( -1.691 0.000 4.298) 4.619 17.102 ( 5.161 0.000 4.230) 6.673 17.176 ( 3.598 0.000 -6.839) 7.728 17.259 ( 2.644 0.000 -4.179) 4.945 17.368 ( 1.187 0.000 -4.401) 4.559 17.388 ( 4.545 0.000 -4.579) 6.452 17.832 ( -1.354 0.000 8.157) 8.269 17.886 ( -0.575 0.000 3.083) 3.136 17.978 ( -3.907 0.000 -2.001) 4.389 18.029 ( -3.588 0.000 -3.434) 4.966 18.159 ( -0.594 0.000 1.219) 1.356 18.167 ( 1.385 0.000 0.745) 1.572 18.194 ( -1.029 0.000 1.372) 1.716 18.281 ( -0.102 0.000 -0.706) 0.713 18.728 ( 2.046 0.000 0.842) 2.212 18.785 ( 1.229 0.000 -1.462) 1.910 19.058 ( -5.574 0.000 1.268) 5.716 19.288 ( -8.721 0.000 0.210) 8.724 19.469 ( 3.158 0.000 3.480) 4.699 19.672 ( -2.334 0.000 -7.469) 7.825 19.825 ( 0.472 0.000 2.598) 2.640 19.976 ( -2.289 0.000 -2.383) 3.304 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 4.648 0.000 15.766) 16.437 1.089 ( 7.438 0.000 23.518) 24.667 1.228 ( 9.930 0.000 -11.023) 14.836 1.654 ( -17.129 0.000 5.869) 18.106 1.840 ( -8.818 0.000 2.920) 9.289 1.977 ( -9.584 0.000 2.086) 9.808 2.071 ( 11.359 0.000 -15.542) 19.251 2.096 ( 5.268 0.000 -3.999) 6.614 2.265 ( 20.230 0.000 7.345) 21.523 2.520 ( 5.842 0.000 -5.135) 7.778 2.587 ( 13.157 0.000 8.896) 15.883 2.624 ( -7.094 0.000 2.384) 7.484 2.776 ( -5.884 0.000 1.990) 6.212 2.807 ( 11.570 0.000 6.820) 13.430 2.876 ( -2.570 0.000 -7.827) 8.238 3.007 ( -2.550 0.000 -5.516) 6.077 3.044 ( -5.290 0.000 0.956) 5.375 3.196 ( 2.853 0.000 -8.999) 9.440 3.207 ( -13.502 0.000 -4.922) 14.371 3.403 ( 0.838 0.000 2.121) 2.281 3.501 ( 2.057 0.000 3.272) 3.864 3.648 ( 5.786 0.000 -3.371) 6.696 3.769 ( -7.737 0.000 -4.655) 9.029 3.772 ( 2.113 0.000 -2.513) 3.283 3.895 ( 1.414 0.000 -2.162) 2.583 3.955 ( -3.294 0.000 2.761) 4.298 4.089 ( 0.496 0.000 -0.508) 0.710 4.213 ( 2.989 0.000 5.294) 6.079 4.280 ( -0.317 0.000 -5.250) 5.259 4.344 ( -2.718 0.000 -4.735) 5.460 4.416 ( -0.238 0.000 2.894) 2.903 4.425 ( 2.858 0.000 -0.637) 2.928 4.530 ( -0.315 0.000 0.309) 0.441 4.555 ( 3.606 0.000 0.880) 3.711 4.725 ( -0.609 0.000 4.244) 4.288 4.821 ( -3.847 0.000 2.139) 4.402 4.987 ( -2.478 0.000 1.455) 2.874 5.166 ( -3.297 0.000 -3.903) 5.109 5.323 ( -0.468 0.000 9.555) 9.566 5.392 ( 0.390 0.000 -2.428) 2.459 5.594 ( -7.221 0.000 0.102) 7.221 5.650 ( -1.917 0.000 -0.442) 1.967 6.046 ( 1.080 0.000 1.449) 1.807 6.059 ( -2.520 0.000 1.798) 3.096 6.123 ( -2.060 0.000 0.512) 2.122 6.191 ( -13.193 0.000 2.736) 13.473 6.288 ( 2.464 0.000 -3.635) 4.392 6.350 ( 1.754 0.000 2.134) 2.762 6.486 ( -0.228 0.000 -2.605) 2.615 6.581 ( -1.809 0.000 3.490) 3.931 6.766 ( 3.506 0.000 -1.523) 3.822 6.799 ( 4.165 0.000 0.577) 4.205 6.852 ( 0.751 0.000 -3.962) 4.033 6.961 ( 5.442 0.000 0.300) 5.450 7.130 ( -4.992 0.000 -2.233) 5.468 7.161 ( 5.095 0.000 -1.320) 5.263 7.194 ( -1.624 0.000 1.501) 2.211 7.279 ( -0.993 0.000 -1.782) 2.040 7.424 ( 0.323 0.000 1.712) 1.742 7.515 ( -3.068 0.000 0.211) 3.075 7.556 ( -2.895 0.000 1.463) 3.243 7.605 ( -2.158 0.000 2.894) 3.610 7.641 ( 0.558 0.000 -1.062) 1.200 7.877 ( 1.113 0.000 -1.710) 2.040 7.943 ( 0.807 0.000 -0.107) 0.815 8.017 ( -1.899 0.000 1.880) 2.672 8.023 ( 0.867 0.000 0.801) 1.181 8.119 ( 1.442 0.000 -1.255) 1.911 8.182 ( -0.457 0.000 0.170) 0.487 8.242 ( -3.405 0.000 1.973) 3.935 8.281 ( -0.301 0.000 1.233) 1.269 8.373 ( 1.412 0.000 -1.984) 2.435 8.417 ( 1.958 0.000 -3.535) 4.041 8.583 ( 1.633 0.000 -0.675) 1.767 8.616 ( -1.902 0.000 0.046) 1.902 8.723 ( -2.621 0.000 0.780) 2.734 8.870 ( 2.082 0.000 -0.962) 2.293 8.911 ( 0.717 0.000 3.241) 3.320 9.248 ( -0.967 0.000 -0.838) 1.280 9.326 ( 0.392 0.000 -0.134) 0.414 12.503 ( -0.053 0.000 0.105) 0.118 12.525 ( 0.271 0.000 -0.168) 0.319 14.160 ( 0.395 0.000 5.211) 5.226 14.488 ( 5.056 0.000 -8.750) 10.106 17.022 ( -1.554 0.000 4.256) 4.530 17.045 ( -1.904 0.000 4.125) 4.543 17.183 ( 4.642 0.000 2.041) 5.071 17.195 ( 4.926 0.000 -5.943) 7.719 17.224 ( 3.088 0.000 0.915) 3.221 17.285 ( 4.039 0.000 -3.695) 5.474 17.344 ( 1.078 0.000 -3.674) 3.828 17.495 ( 8.338 0.000 1.462) 8.465 17.836 ( -2.834 0.000 2.633) 3.868 17.855 ( -5.520 0.000 -5.393) 7.717 17.908 ( -2.071 0.000 4.580) 5.026 17.914 ( -3.464 0.000 -2.428) 4.231 18.156 ( -0.500 0.000 0.489) 0.699 18.184 ( -1.830 0.000 2.129) 2.808 18.207 ( 1.908 0.000 0.570) 1.991 18.263 ( -0.914 0.000 -1.066) 1.404 18.798 ( 4.475 0.000 0.515) 4.504 18.808 ( 2.415 0.000 -0.605) 2.490 18.950 ( -5.198 0.000 -0.263) 5.205 19.118 ( -8.856 0.000 -0.633) 8.879 19.540 ( -0.618 0.000 5.086) 5.123 19.592 ( 0.381 0.000 -3.690) 3.709 19.830 ( -1.331 0.000 1.122) 1.741 19.909 ( -1.973 0.000 -1.738) 2.629 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -9.981 0.000 12.015) 15.620 1.257 ( -19.738 0.000 14.874) 24.715 1.512 ( 17.881 0.000 7.794) 19.506 1.565 ( 6.195 0.000 16.345) 17.480 1.764 ( -0.378 0.000 6.310) 6.321 1.943 ( 1.159 0.000 9.943) 10.011 2.135 ( 11.004 0.000 -15.482) 18.994 2.191 ( 3.853 0.000 -0.573) 3.895 2.343 ( -14.222 0.000 -11.230) 18.121 2.494 ( -11.635 0.000 -12.067) 16.763 2.523 ( -4.007 0.000 1.190) 4.180 2.616 ( 1.075 0.000 -1.448) 1.803 2.739 ( 4.940 0.000 1.806) 5.260 2.772 ( -10.799 0.000 -9.895) 14.647 2.926 ( -3.462 0.000 -3.648) 5.030 2.987 ( 5.967 0.000 -5.027) 7.803 3.008 ( 6.035 0.000 8.529) 10.448 3.139 ( 9.114 0.000 7.901) 12.062 3.171 ( 0.745 0.000 -5.254) 5.306 3.443 ( -2.399 0.000 -0.455) 2.442 3.551 ( -4.125 0.000 1.438) 4.369 3.639 ( -2.182 0.000 -7.611) 7.918 3.675 ( 10.078 0.000 0.885) 10.117 3.793 ( 3.672 0.000 -3.018) 4.753 3.941 ( 2.588 0.000 1.366) 2.927 3.960 ( 0.201 0.000 3.965) 3.970 4.106 ( 1.313 0.000 0.419) 1.379 4.225 ( -5.145 0.000 -1.929) 5.494 4.240 ( 0.285 0.000 -2.959) 2.973 4.338 ( 3.357 0.000 4.698) 5.775 4.422 ( -1.462 0.000 3.143) 3.466 4.437 ( -0.227 0.000 -3.912) 3.919 4.527 ( 1.160 0.000 0.429) 1.237 4.656 ( 4.584 0.000 -2.961) 5.457 4.742 ( -3.418 0.000 2.478) 4.222 4.756 ( -3.508 0.000 6.539) 7.421 4.922 ( -2.467 0.000 -1.915) 3.123 5.044 ( -2.948 0.000 -7.331) 7.901 5.411 ( -1.480 0.000 10.413) 10.518 5.427 ( 3.603 0.000 1.976) 4.109 5.593 ( 3.313 0.000 7.057) 7.796 5.629 ( 0.292 0.000 -0.859) 0.907 5.963 ( -8.638 0.000 -0.563) 8.657 6.012 ( -1.957 0.000 -1.471) 2.448 6.116 ( 1.739 0.000 3.818) 4.196 6.156 ( 2.382 0.000 3.645) 4.355 6.267 ( 0.033 0.000 -5.487) 5.487 6.399 ( 1.782 0.000 1.207) 2.152 6.491 ( 0.383 0.000 1.838) 1.878 6.555 ( -3.453 0.000 -0.907) 3.570 6.770 ( -3.808 0.000 -4.475) 5.876 6.792 ( 0.586 0.000 -2.192) 2.269 6.867 ( 3.617 0.000 -3.022) 4.713 6.984 ( -4.042 0.000 -6.923) 8.017 7.068 ( 4.255 0.000 0.354) 4.270 7.188 ( -0.833 0.000 1.888) 2.064 7.192 ( -3.420 0.000 -4.214) 5.428 7.245 ( 3.484 0.000 -1.116) 3.658 7.464 ( -1.317 0.000 -0.721) 1.501 7.480 ( 1.364 0.000 4.163) 4.381 7.521 ( -1.780 0.000 0.887) 1.989 7.599 ( -1.773 0.000 3.531) 3.951 7.651 ( 1.185 0.000 -0.577) 1.318 7.871 ( 0.470 0.000 -2.382) 2.428 7.982 ( 1.675 0.000 2.366) 2.898 8.002 ( -1.000 0.000 1.876) 2.126 8.024 ( -0.849 0.000 0.086) 0.853 8.133 ( -0.847 0.000 -0.902) 1.237 8.188 ( 0.431 0.000 0.791) 0.901 8.190 ( 0.481 0.000 -1.363) 1.445 8.295 ( -1.132 0.000 3.076) 3.278 8.401 ( 0.804 0.000 -4.416) 4.489 8.406 ( 2.615 0.000 0.373) 2.642 8.579 ( 0.051 0.000 -1.981) 1.982 8.613 ( 0.506 0.000 0.796) 0.943 8.699 ( -0.954 0.000 0.269) 0.991 8.900 ( 1.349 0.000 0.974) 1.664 8.938 ( -1.632 0.000 3.292) 3.674 9.228 ( 0.160 0.000 -1.216) 1.227 9.313 ( -0.723 0.000 -1.898) 2.031 12.504 ( -0.000 0.000 0.225) 0.225 12.525 ( 0.034 0.000 -0.293) 0.295 14.183 ( -3.387 0.000 4.644) 5.748 14.555 ( 8.439 0.000 -3.132) 9.001 17.035 ( -1.600 0.000 4.206) 4.500 17.046 ( -2.225 0.000 4.033) 4.606 17.184 ( -3.231 0.000 -3.398) 4.688 17.226 ( -1.672 0.000 -2.470) 2.983 17.239 ( 4.511 0.000 -3.361) 5.625 17.329 ( 3.037 0.000 -1.539) 3.404 17.358 ( 2.060 0.000 -1.436) 2.511 17.595 ( -3.687 0.000 -1.006) 3.822 17.754 ( 5.463 0.000 -3.769) 6.637 17.788 ( -3.499 0.000 -0.218) 3.506 17.899 ( -2.409 0.000 2.734) 3.644 17.907 ( 3.485 0.000 1.446) 3.773 18.151 ( -0.315 0.000 0.134) 0.342 18.170 ( -1.837 0.000 2.075) 2.772 18.220 ( -1.581 0.000 -1.230) 2.003 18.250 ( 1.342 0.000 0.125) 1.348 18.860 ( 1.074 0.000 0.409) 1.150 18.882 ( 1.182 0.000 0.540) 1.300 18.888 ( 0.225 0.000 0.743) 0.776 18.966 ( -3.167 0.000 -2.080) 3.789 19.536 ( -3.604 0.000 2.613) 4.452 19.622 ( 4.459 0.000 0.405) 4.477 19.816 ( -0.801 0.000 0.428) 0.908 19.885 ( 1.011 0.000 -0.797) 1.287 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -21.533 0.000 13.539) 25.436 0.966 ( -25.225 0.000 18.280) 31.152 1.554 ( -34.978 0.000 -12.879) 37.274 1.898 ( 5.937 0.000 15.756) 16.837 1.938 ( 6.183 0.000 11.014) 12.631 1.943 ( 8.051 0.000 8.653) 11.819 2.116 ( 2.843 0.000 4.102) 4.991 2.175 ( 5.847 0.000 -16.260) 17.279 2.199 ( -0.910 0.000 5.577) 5.651 2.324 ( 0.919 0.000 -6.644) 6.707 2.398 ( -6.305 0.000 -9.018) 11.003 2.582 ( -3.335 0.000 0.308) 3.349 2.637 ( 4.355 0.000 2.584) 5.064 2.790 ( -1.066 0.000 0.075) 1.069 2.984 ( 8.079 0.000 -0.941) 8.134 3.018 ( -1.615 0.000 -5.532) 5.762 3.064 ( 1.454 0.000 -7.780) 7.915 3.126 ( 4.175 0.000 4.516) 6.150 3.361 ( 0.832 0.000 -4.404) 4.482 3.385 ( 4.631 0.000 2.384) 5.209 3.477 ( -3.104 0.000 -7.896) 8.484 3.565 ( -0.587 0.000 0.954) 1.121 3.757 ( -4.754 0.000 0.775) 4.816 3.812 ( 3.101 0.000 -2.565) 4.025 4.025 ( 0.957 0.000 4.392) 4.495 4.074 ( 6.118 0.000 -1.673) 6.342 4.125 ( 3.346 0.000 -2.575) 4.222 4.141 ( -0.648 0.000 -1.265) 1.422 4.215 ( -2.181 0.000 1.865) 2.869 4.322 ( -3.453 0.000 -3.709) 5.068 4.420 ( 0.852 0.000 0.378) 0.932 4.454 ( 0.324 0.000 4.874) 4.885 4.587 ( -0.255 0.000 -1.547) 1.568 4.621 ( -1.703 0.000 -0.899) 1.926 4.700 ( 2.207 0.000 4.164) 4.713 4.869 ( 5.441 0.000 -3.492) 6.465 4.889 ( -1.471 0.000 2.814) 3.175 4.953 ( 0.965 0.000 2.788) 2.950 5.442 ( -2.146 0.000 2.100) 3.002 5.561 ( 5.940 0.000 3.029) 6.668 5.650 ( -1.930 0.000 3.867) 4.322 5.766 ( 4.800 0.000 6.650) 8.202 5.820 ( -0.886 0.000 -5.894) 5.960 5.992 ( 2.713 0.000 -1.045) 2.908 6.161 ( -0.855 0.000 1.679) 1.884 6.191 ( -1.196 0.000 -6.337) 6.449 6.319 ( 3.669 0.000 13.439) 13.931 6.420 ( -3.927 0.000 -6.128) 7.278 6.433 ( -0.068 0.000 -1.057) 1.059 6.502 ( -2.558 0.000 5.420) 5.993 6.659 ( -5.316 0.000 -0.542) 5.343 6.739 ( -0.817 0.000 -4.320) 4.397 6.877 ( 2.215 0.000 -5.718) 6.132 6.888 ( -0.416 0.000 -3.855) 3.878 7.051 ( -6.354 0.000 -4.498) 7.785 7.108 ( 0.165 0.000 -0.147) 0.221 7.201 ( 0.495 0.000 -0.098) 0.505 7.278 ( 1.255 0.000 -1.510) 1.963 7.449 ( 0.352 0.000 -0.830) 0.901 7.513 ( 0.281 0.000 0.559) 0.625 7.532 ( -0.992 0.000 5.377) 5.468 7.605 ( -0.880 0.000 2.183) 2.353 7.669 ( 1.321 0.000 -0.347) 1.366 7.840 ( -0.844 0.000 -3.340) 3.445 8.002 ( -0.285 0.000 2.238) 2.256 8.005 ( -1.514 0.000 0.718) 1.676 8.070 ( 2.934 0.000 3.677) 4.704 8.105 ( 0.752 0.000 -1.512) 1.689 8.211 ( 1.242 0.000 0.587) 1.374 8.212 ( 1.962 0.000 -1.386) 2.402 8.305 ( -0.402 0.000 2.095) 2.133 8.370 ( 0.386 0.000 -3.674) 3.694 8.475 ( 2.710 0.000 3.291) 4.264 8.559 ( 1.176 0.000 -4.475) 4.627 8.635 ( 0.237 0.000 2.330) 2.342 8.673 ( -0.651 0.000 -2.944) 3.015 8.910 ( -3.622 0.000 1.392) 3.881 8.948 ( 1.109 0.000 3.664) 3.828 9.234 ( 0.976 0.000 0.111) 0.982 9.263 ( -1.710 0.000 -3.031) 3.480 12.507 ( 0.001 0.000 0.276) 0.276 12.521 ( -0.117 0.000 -0.333) 0.353 14.133 ( -5.452 0.000 3.210) 6.327 14.723 ( 11.277 0.000 -3.790) 11.897 17.034 ( -2.177 0.000 3.166) 3.842 17.043 ( -6.855 0.000 -2.786) 7.400 17.057 ( -1.366 0.000 4.954) 5.139 17.131 ( -5.578 0.000 -1.504) 5.777 17.307 ( 4.164 0.000 1.597) 4.460 17.355 ( 0.130 0.000 -0.060) 0.143 17.369 ( 1.920 0.000 -3.474) 3.969 17.483 ( -2.416 0.000 -4.344) 4.970 17.707 ( -3.474 0.000 -1.523) 3.793 17.880 ( -1.545 0.000 1.022) 1.852 17.882 ( 7.653 0.000 -0.114) 7.653 18.023 ( 5.232 0.000 2.075) 5.628 18.145 ( -0.460 0.000 0.073) 0.466 18.158 ( -1.208 0.000 1.371) 1.827 18.171 ( -1.890 0.000 -1.225) 2.253 18.275 ( 0.937 0.000 0.249) 0.970 18.807 ( -5.299 0.000 1.314) 5.459 18.835 ( -1.799 0.000 0.075) 1.800 18.971 ( 4.594 0.000 1.663) 4.886 18.982 ( 3.136 0.000 -5.226) 6.095 19.489 ( -2.280 0.000 1.064) 2.516 19.746 ( 5.916 0.000 2.106) 6.280 19.809 ( -0.180 0.000 0.177) 0.253 19.925 ( 3.694 0.000 -1.010) 3.829 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -32.801 0.000 -2.865) 32.926 0.648 ( -22.923 0.000 21.611) 31.504 0.791 ( -30.685 0.000 20.796) 37.068 1.956 ( -6.374 0.000 -0.236) 6.378 2.003 ( -2.944 0.000 -3.398) 4.496 2.076 ( 4.033 0.000 -16.888) 17.363 2.152 ( 4.405 0.000 6.068) 7.498 2.182 ( 0.710 0.000 10.835) 10.858 2.218 ( -1.749 0.000 -0.648) 1.865 2.346 ( 2.707 0.000 -1.725) 3.210 2.474 ( 11.252 0.000 4.763) 12.219 2.519 ( -1.640 0.000 -1.858) 2.478 2.761 ( -8.040 0.000 -2.503) 8.420 2.786 ( 0.227 0.000 1.537) 1.554 2.798 ( -1.165 0.000 4.319) 4.473 3.040 ( 2.647 0.000 -7.012) 7.495 3.173 ( 8.567 0.000 -3.270) 9.170 3.226 ( -0.220 0.000 -10.604) 10.607 3.254 ( -3.501 0.000 5.050) 6.145 3.371 ( 3.669 0.000 -3.392) 4.997 3.508 ( -2.570 0.000 -5.358) 5.942 3.546 ( 1.622 0.000 5.372) 5.611 3.695 ( -2.527 0.000 0.540) 2.584 3.825 ( 2.457 0.000 -2.344) 3.396 4.029 ( -0.737 0.000 1.967) 2.101 4.055 ( 3.237 0.000 -11.290) 11.745 4.072 ( -4.337 0.000 -0.928) 4.435 4.194 ( 0.032 0.000 1.343) 1.344 4.220 ( 0.743 0.000 2.482) 2.590 4.320 ( 0.973 0.000 0.003) 0.973 4.465 ( 3.191 0.000 2.059) 3.798 4.504 ( 0.187 0.000 2.721) 2.727 4.515 ( 0.007 0.000 -5.698) 5.698 4.583 ( -0.671 0.000 -4.213) 4.266 4.788 ( -1.739 0.000 3.530) 3.935 4.889 ( 3.218 0.000 2.257) 3.930 4.944 ( 1.569 0.000 7.274) 7.441 5.050 ( -1.490 0.000 -15.208) 15.281 5.463 ( 2.408 0.000 1.808) 3.011 5.576 ( 2.071 0.000 14.495) 14.642 5.646 ( 0.387 0.000 -0.071) 0.393 5.855 ( -0.656 0.000 7.001) 7.032 5.871 ( 5.832 0.000 -1.807) 6.106 6.052 ( -1.978 0.000 0.003) 1.978 6.142 ( 2.403 0.000 0.230) 2.414 6.147 ( -0.989 0.000 5.054) 5.150 6.274 ( -0.921 0.000 -5.186) 5.267 6.354 ( -1.669 0.000 -6.643) 6.849 6.528 ( -1.589 0.000 6.171) 6.373 6.553 ( -4.057 0.000 -0.715) 4.120 6.646 ( 9.891 0.000 21.389) 23.565 6.738 ( 0.822 0.000 1.734) 1.919 6.841 ( 0.860 0.000 -4.345) 4.429 6.859 ( 0.527 0.000 -2.014) 2.082 6.916 ( -2.950 0.000 0.212) 2.958 7.102 ( -0.152 0.000 0.411) 0.438 7.193 ( 0.014 0.000 -0.440) 0.440 7.275 ( 0.475 0.000 -1.497) 1.571 7.457 ( 1.184 0.000 -1.018) 1.561 7.533 ( 0.788 0.000 0.412) 0.890 7.565 ( -0.707 0.000 5.359) 5.405 7.607 ( -1.280 0.000 2.582) 2.882 7.699 ( 1.985 0.000 -0.570) 2.065 7.781 ( -1.422 0.000 -2.607) 2.969 7.984 ( -0.929 0.000 -0.099) 0.934 8.017 ( -0.247 0.000 0.974) 1.005 8.123 ( 1.762 0.000 -0.947) 2.000 8.156 ( 2.341 0.000 3.213) 3.975 8.226 ( 1.067 0.000 -1.495) 1.837 8.240 ( 1.004 0.000 -1.039) 1.445 8.321 ( 0.041 0.000 1.491) 1.491 8.337 ( -0.769 0.000 -3.260) 3.350 8.537 ( 1.815 0.000 -5.369) 5.668 8.551 ( -0.433 0.000 2.322) 2.363 8.632 ( 1.931 0.000 -2.576) 3.219 8.671 ( 0.104 0.000 3.843) 3.844 8.841 ( -3.266 0.000 -1.013) 3.420 8.991 ( -0.692 0.000 1.543) 1.691 9.209 ( -0.669 0.000 -1.110) 1.296 9.266 ( 1.427 0.000 2.437) 2.825 12.508 ( -0.076 0.000 0.188) 0.203 12.516 ( -0.037 0.000 -0.256) 0.258 14.066 ( -4.140 0.000 2.772) 4.982 14.758 ( -1.603 0.000 -22.884) 22.940 16.913 ( -4.561 0.000 0.189) 4.564 17.025 ( -4.102 0.000 1.161) 4.263 17.025 ( -2.418 0.000 3.187) 4.001 17.083 ( -0.427 0.000 2.687) 2.721 17.318 ( -2.391 0.000 -2.496) 3.456 17.368 ( 2.335 0.000 -4.621) 5.178 17.423 ( 0.304 0.000 -4.503) 4.513 17.465 ( 5.701 0.000 8.513) 10.246 17.640 ( -2.261 0.000 -2.988) 3.747 17.862 ( -0.401 0.000 0.217) 0.456 18.008 ( 5.181 0.000 -0.606) 5.216 18.110 ( 0.766 0.000 2.209) 2.338 18.130 ( -1.299 0.000 -0.067) 1.301 18.136 ( -0.500 0.000 0.308) 0.588 18.160 ( 1.374 0.000 -0.038) 1.374 18.287 ( 0.163 0.000 -0.282) 0.326 18.752 ( -2.318 0.000 0.957) 2.508 18.804 ( -0.865 0.000 -0.987) 1.313 18.953 ( 1.176 0.000 1.193) 1.675 19.068 ( 2.766 0.000 2.593) 3.791 19.479 ( -0.155 0.000 0.553) 0.574 19.806 ( -0.926 0.000 -0.474) 1.040 19.834 ( 2.012 0.000 -1.375) 2.437 19.990 ( 3.889 0.000 -1.413) 4.137 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 16.187 14.399 18.964) 28.792 0.683 ( -1.803 18.520 13.107) 22.761 1.107 ( -10.068 26.289 27.922) 39.650 1.696 ( -1.196 -5.391 -14.496) 15.512 1.949 ( -4.483 2.767 -6.461) 8.337 2.075 ( -1.292 2.830 -9.366) 9.869 2.184 ( 1.313 6.662 1.485) 6.951 2.227 ( 0.834 1.096 0.860) 1.624 2.242 ( -5.805 -1.836 1.642) 6.306 2.423 ( -4.917 1.776 1.941) 5.576 2.517 ( 3.290 8.275 1.643) 9.056 2.623 ( -0.948 7.735 -5.648) 9.624 2.752 ( 0.578 1.704 0.573) 1.889 2.846 ( 1.706 3.279 3.443) 5.051 2.876 ( -1.673 2.781 5.318) 6.230 3.017 ( 2.677 -0.485 -8.136) 8.579 3.095 ( -1.164 1.545 -2.166) 2.904 3.235 ( 1.988 -5.081 -0.849) 5.522 3.321 ( 4.551 -5.278 -0.322) 6.977 3.360 ( 5.073 5.016 -1.175) 7.230 3.466 ( -4.570 -0.504 1.721) 4.909 3.571 ( 0.746 0.957 3.341) 3.554 3.729 ( 0.773 5.072 0.069) 5.132 3.906 ( 2.781 -3.982 -3.614) 6.054 3.953 ( -1.533 -2.993 -3.020) 4.520 4.026 ( 0.850 1.229 -3.254) 3.581 4.162 ( 1.113 0.225 -5.293) 5.413 4.219 ( 4.123 -0.859 2.687) 4.995 4.231 ( -1.389 2.327 -1.621) 3.158 4.273 ( -1.608 -2.186 -2.448) 3.655 4.429 ( -0.666 -3.823 0.622) 3.930 4.452 ( -3.301 -3.044 -1.100) 4.623 4.545 ( 0.068 -0.584 -0.166) 0.611 4.569 ( 0.815 1.141 -3.037) 3.345 4.776 ( -3.550 3.490 -0.887) 5.057 4.817 ( 0.440 2.709 1.073) 2.946 5.021 ( 2.145 -0.926 7.365) 7.727 5.057 ( -1.958 2.755 3.046) 4.550 5.367 ( -1.018 -1.381 -2.610) 3.123 5.564 ( -1.101 -2.462 -3.421) 4.356 5.690 ( -1.343 -7.400 2.045) 7.794 5.838 ( -0.811 -3.017 0.244) 3.134 5.955 ( 6.199 -2.572 -0.677) 6.745 6.049 ( -2.430 -3.439 2.498) 4.896 6.082 ( -1.344 -8.808 4.772) 10.107 6.225 ( 3.435 0.907 2.107) 4.130 6.249 ( 4.208 -4.327 7.404) 9.553 6.400 ( 0.022 2.858 -1.571) 3.262 6.448 ( -5.104 -3.927 -2.805) 7.024 6.565 ( 1.875 0.419 1.517) 2.448 6.644 ( -2.737 0.530 0.878) 2.923 6.768 ( 2.683 -0.951 -3.075) 4.190 6.857 ( 0.118 0.680 -0.108) 0.699 6.950 ( 2.223 -1.829 2.792) 4.010 7.074 ( 1.846 -7.659 5.921) 9.855 7.123 ( 0.761 -2.458 3.522) 4.362 7.139 ( 1.180 -1.712 -2.689) 3.399 7.314 ( -0.173 2.684 -1.164) 2.931 7.419 ( 1.283 -4.193 1.114) 4.524 7.452 ( -4.367 -1.419 3.834) 5.982 7.598 ( 0.819 -0.411 1.086) 1.421 7.612 ( -2.416 2.558 2.718) 4.446 7.723 ( -0.022 2.268 -2.158) 3.131 7.823 ( 1.625 2.650 -0.563) 3.159 7.940 ( 0.255 -2.840 -0.159) 2.856 7.984 ( -1.475 -0.961 -0.182) 1.770 8.062 ( -0.510 0.233 -2.293) 2.361 8.115 ( 0.725 -2.221 -1.223) 2.637 8.235 ( -1.651 -2.112 0.844) 2.811 8.238 ( -1.063 1.232 -1.023) 1.922 8.316 ( 2.983 0.949 0.772) 3.224 8.338 ( -0.762 0.894 1.082) 1.597 8.484 ( -2.735 -0.050 -2.944) 4.019 8.513 ( 2.594 -1.692 -3.139) 4.410 8.666 ( -1.814 -2.116 3.350) 4.358 8.722 ( 3.008 0.305 1.664) 3.451 8.848 ( 0.376 3.463 -0.592) 3.534 8.950 ( -3.139 1.612 -3.446) 4.932 9.224 ( 1.820 -1.263 2.445) 3.299 9.278 ( -0.417 -1.444 1.324) 2.003 12.598 ( 0.175 7.748 0.560) 7.770 12.869 ( -0.055 16.448 -15.446) 22.563 14.020 ( -0.930 -2.545 3.043) 4.075 14.325 ( 2.689 -6.012 -4.353) 7.895 16.970 ( 1.363 2.852 0.864) 3.277 17.004 ( 1.010 1.780 0.404) 2.086 17.050 ( -2.737 1.511 4.716) 5.658 17.091 ( -3.385 2.235 4.130) 5.789 17.245 ( -1.467 1.021 -5.125) 5.428 17.259 ( -5.711 0.503 -4.350) 7.196 17.412 ( 1.894 2.465 -2.666) 4.095 17.469 ( -1.374 4.776 -5.849) 7.676 17.716 ( 3.849 -1.063 8.064) 8.999 17.860 ( -1.412 -2.027 2.099) 3.241 17.998 ( 2.554 -4.762 -0.500) 5.426 18.055 ( -0.149 -3.626 1.833) 4.066 18.107 ( -0.670 -2.224 0.817) 2.462 18.113 ( 0.669 -0.490 0.347) 0.899 18.167 ( 1.132 -1.507 -1.132) 2.199 18.258 ( -0.070 -2.179 -0.424) 2.221 18.740 ( -0.357 2.264 0.011) 2.292 18.783 ( 0.606 0.218 -0.589) 0.873 19.074 ( -1.750 -2.960 2.617) 4.321 19.306 ( 11.555 -1.634 -3.019) 12.054 19.416 ( -4.793 -0.581 2.022) 5.235 19.699 ( -1.299 -2.436 6.716) 7.261 19.752 ( -1.734 -4.165 -4.051) 6.063 19.983 ( 0.722 -3.691 -2.005) 4.262 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 7.408 16.668 12.174) 21.930 1.022 ( 1.431 19.891 22.282) 29.903 1.439 ( -4.055 3.854 -20.249) 21.008 1.543 ( 21.464 8.576 22.108) 31.985 1.772 ( 2.740 -6.535 -10.684) 12.821 2.009 ( -8.093 -1.610 -3.672) 9.032 2.098 ( -4.042 3.600 0.907) 5.488 2.182 ( -5.909 5.213 0.472) 7.894 2.307 ( 5.598 5.499 -0.298) 7.853 2.387 ( -0.041 5.024 2.625) 5.669 2.520 ( 1.144 5.217 -3.510) 6.391 2.622 ( 3.028 6.795 2.053) 7.717 2.751 ( -0.871 -0.800 0.507) 1.287 2.835 ( -5.999 0.601 6.549) 8.902 2.926 ( 1.968 0.089 -1.454) 2.449 2.989 ( 2.485 0.227 -4.279) 4.953 3.111 ( 3.522 4.773 -1.898) 6.228 3.235 ( 2.018 -3.078 -6.274) 7.274 3.334 ( -5.153 -5.638 -1.653) 7.815 3.382 ( 1.696 -2.335 -1.676) 3.337 3.476 ( 0.564 1.630 4.031) 4.384 3.625 ( 1.069 1.426 -0.686) 1.910 3.751 ( 0.526 4.373 2.242) 4.943 3.866 ( -1.738 0.728 -3.394) 3.882 3.920 ( -0.455 -4.084 -1.885) 4.521 4.027 ( 1.294 -1.339 -2.255) 2.925 4.082 ( -6.603 0.023 -5.546) 8.623 4.138 ( 2.571 -1.700 0.269) 3.094 4.268 ( 0.237 -2.672 2.601) 3.737 4.351 ( 3.717 -1.128 2.308) 4.518 4.406 ( -1.291 -0.189 -1.241) 1.801 4.407 ( -1.758 -4.424 -3.160) 5.714 4.517 ( -0.154 -0.166 -1.806) 1.820 4.553 ( -1.049 2.475 -0.006) 2.688 4.734 ( -1.169 2.410 1.905) 3.287 4.852 ( 0.223 1.593 1.822) 2.431 5.017 ( -3.434 0.859 2.926) 4.592 5.151 ( 2.081 -1.294 6.886) 7.309 5.347 ( 0.195 3.562 0.470) 3.598 5.489 ( -1.310 1.336 -6.071) 6.353 5.602 ( -5.247 -6.879 -1.044) 8.715 5.799 ( -3.548 -0.974 -2.037) 4.205 6.004 ( -0.439 0.451 -0.585) 0.859 6.031 ( 0.038 -2.441 2.373) 3.404 6.082 ( -3.305 -9.279 2.228) 10.099 6.230 ( -3.044 -4.171 1.403) 5.351 6.304 ( -2.645 -2.071 -1.858) 3.839 6.385 ( -0.623 1.018 0.751) 1.410 6.461 ( 0.556 -3.750 5.364) 6.569 6.574 ( 0.338 0.330 1.982) 2.038 6.652 ( 2.834 -0.411 0.782) 2.968 6.799 ( 1.394 -2.194 -1.778) 3.150 6.874 ( 1.968 0.648 0.108) 2.075 6.943 ( -2.779 6.424 -2.977) 7.606 7.037 ( -1.029 -7.112 2.564) 7.630 7.119 ( -1.060 -4.508 -1.372) 4.830 7.210 ( 1.509 -0.940 4.127) 4.494 7.284 ( 0.308 0.139 -3.022) 3.041 7.447 ( -0.587 1.207 1.681) 2.151 7.484 ( 1.163 -2.997 3.321) 4.622 7.586 ( -2.350 -0.558 1.925) 3.089 7.617 ( -0.406 1.415 1.039) 1.802 7.702 ( -0.370 3.342 -1.493) 3.679 7.848 ( 1.801 -0.012 -1.651) 2.443 7.962 ( -0.482 0.052 -0.212) 0.529 7.969 ( 2.302 -1.079 1.008) 2.735 8.049 ( -0.223 0.700 -0.740) 1.042 8.110 ( 0.623 -1.367 -1.712) 2.277 8.196 ( -2.764 -0.500 -0.174) 2.814 8.214 ( -0.555 -1.333 1.038) 1.778 8.316 ( -2.450 0.489 0.787) 2.620 8.375 ( 2.132 0.262 -2.493) 3.290 8.429 ( 0.600 0.869 -1.267) 1.649 8.546 ( 2.887 -0.721 -1.426) 3.300 8.639 ( -2.909 -1.623 1.195) 3.539 8.776 ( 0.084 -0.069 1.581) 1.584 8.865 ( -1.001 1.787 -3.228) 3.823 8.875 ( 1.520 1.834 1.428) 2.778 9.261 ( -0.934 -1.299 0.547) 1.691 9.288 ( 1.348 -1.042 1.329) 2.161 12.606 ( -0.298 8.276 0.595) 8.303 12.692 ( -3.886 14.007 -4.361) 15.176 14.063 ( 1.437 -2.585 3.769) 4.790 14.389 ( 6.660 -9.085 -9.670) 14.847 17.010 ( -1.163 -0.456 3.109) 3.350 17.023 ( 1.259 0.243 2.163) 2.514 17.055 ( -1.347 1.468 4.689) 5.095 17.108 ( 1.643 0.834 3.416) 3.881 17.193 ( 3.194 1.491 -4.537) 5.746 17.253 ( 5.041 0.371 -1.533) 5.282 17.416 ( 0.191 3.473 -4.360) 5.577 17.427 ( 2.964 3.132 -3.344) 5.457 17.825 ( -1.198 -1.067 6.731) 6.920 17.840 ( -1.961 -3.922 1.943) 4.796 17.991 ( -1.252 0.517 -1.635) 2.124 18.010 ( -3.329 -1.945 -3.390) 5.133 18.113 ( 0.457 -3.551 0.893) 3.690 18.143 ( -0.143 -2.314 2.674) 3.539 18.168 ( 0.128 -1.632 -0.464) 1.701 18.246 ( -0.370 -2.498 -1.133) 2.768 18.758 ( 2.058 2.237 0.015) 3.040 18.795 ( 1.505 0.905 -0.677) 1.882 19.030 ( -4.770 -2.425 1.514) 5.561 19.266 ( -6.382 -2.558 -1.668) 7.075 19.487 ( 3.290 1.589 3.878) 5.328 19.641 ( -1.753 -2.790 -5.782) 6.655 19.777 ( -0.055 -3.708 3.445) 5.061 19.953 ( -1.212 -2.526 -2.157) 3.536 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 6.904 13.063 8.531) 17.061 1.277 ( 3.827 11.991 12.101) 17.460 1.295 ( 8.362 10.175 0.397) 13.177 1.684 ( -7.839 0.549 -0.534) 7.876 1.842 ( 3.591 -6.592 -7.079) 10.318 1.913 ( -7.136 5.882 3.691) 9.957 2.012 ( -10.117 2.893 3.267) 11.018 2.246 ( 14.174 -2.313 5.332) 15.319 2.354 ( 7.031 12.453 -7.553) 16.173 2.480 ( -2.974 -3.041 0.411) 4.273 2.606 ( 11.934 2.352 8.846) 15.040 2.660 ( -1.339 1.487 0.559) 2.077 2.783 ( -1.339 0.420 1.406) 1.987 2.825 ( 5.046 2.455 1.747) 5.877 2.880 ( -3.105 0.997 -6.101) 6.918 2.998 ( -1.510 -1.855 2.649) 3.569 3.099 ( -5.016 2.348 -6.749) 8.730 3.171 ( -4.148 1.985 -1.861) 4.960 3.242 ( 2.041 2.046 -4.984) 5.761 3.379 ( 1.047 -1.475 -2.028) 2.717 3.481 ( -1.117 -0.351 2.920) 3.146 3.585 ( -2.815 -6.333 -5.152) 8.635 3.728 ( 1.221 1.875 -0.958) 2.435 3.881 ( -1.062 3.759 1.218) 4.092 3.905 ( 3.979 -2.043 -2.988) 5.379 3.952 ( -2.586 1.424 0.149) 2.956 4.020 ( -0.437 -3.495 -1.052) 3.676 4.203 ( -0.458 -2.605 -0.696) 2.735 4.280 ( -1.556 -0.385 0.398) 1.652 4.310 ( 0.175 -2.680 -2.734) 3.833 4.370 ( -1.028 -2.867 0.362) 3.067 4.435 ( 2.533 -0.415 0.625) 2.642 4.510 ( 0.605 -1.524 -1.103) 1.976 4.580 ( 3.004 2.958 1.816) 4.590 4.743 ( -0.793 1.538 3.657) 4.045 4.838 ( -4.373 0.701 2.869) 5.277 4.992 ( -1.315 0.509 0.467) 1.486 5.206 ( -1.584 2.671 -0.994) 3.260 5.363 ( -2.363 2.952 4.270) 5.704 5.423 ( 0.869 2.843 -1.915) 3.536 5.541 ( 0.767 -3.427 1.397) 3.779 5.680 ( -5.860 1.646 -1.287) 6.222 6.014 ( -0.272 -3.227 0.691) 3.311 6.025 ( -2.301 -3.375 1.325) 4.294 6.054 ( -0.675 -4.829 3.733) 6.141 6.116 ( -9.499 -6.443 2.368) 11.720 6.258 ( 0.268 -2.637 -3.777) 4.615 6.395 ( 0.525 2.664 1.780) 3.247 6.443 ( -0.569 -2.701 -3.431) 4.404 6.630 ( 0.829 2.892 2.233) 3.747 6.746 ( 3.770 -0.771 0.413) 3.870 6.790 ( 0.497 -3.550 0.634) 3.640 6.874 ( 1.128 3.603 -7.108) 8.048 6.943 ( 3.968 -1.180 -0.351) 4.154 7.042 ( -2.045 -9.367 0.920) 9.631 7.094 ( -0.479 -1.741 -0.571) 1.894 7.223 ( 1.793 2.256 -2.980) 4.145 7.320 ( 1.606 1.229 2.428) 3.160 7.441 ( -0.621 1.920 0.307) 2.041 7.488 ( -2.394 -1.969 0.608) 3.159 7.556 ( -2.282 -0.084 1.283) 2.619 7.621 ( -1.190 1.410 3.468) 3.928 7.681 ( 0.037 3.350 -1.307) 3.596 7.862 ( 1.795 -0.322 -2.173) 2.837 7.957 ( -0.040 0.704 0.258) 0.751 8.014 ( -1.665 -1.115 -1.462) 2.480 8.030 ( 2.012 -0.320 1.846) 2.749 8.122 ( 0.487 1.306 0.089) 1.397 8.156 ( -0.553 -1.729 0.151) 1.822 8.235 ( 0.432 -2.622 2.445) 3.611 8.255 ( -3.770 0.351 -0.462) 3.814 8.372 ( 1.222 0.170 -2.137) 2.468 8.448 ( 1.893 1.635 -2.280) 3.385 8.582 ( 1.052 -0.378 -0.546) 1.244 8.597 ( -1.560 -0.983 0.398) 1.887 8.753 ( -2.085 1.886 0.377) 2.837 8.864 ( 1.769 -0.156 -0.755) 1.930 8.921 ( 0.795 1.068 2.968) 3.253 9.240 ( -0.817 -0.775 -0.799) 1.381 9.314 ( 0.458 -1.154 -0.104) 1.246 12.591 ( -0.871 8.065 -0.181) 8.114 12.640 ( -0.551 10.347 -0.325) 10.367 14.128 ( 0.522 -3.145 4.342) 5.386 14.396 ( 4.307 -8.352 -6.818) 11.610 17.021 ( -0.966 -0.889 3.187) 3.447 17.059 ( -1.761 0.534 4.434) 4.801 17.085 ( 2.690 -3.655 -1.158) 4.683 17.152 ( 2.100 -2.781 -1.578) 3.825 17.270 ( 5.205 2.183 1.119) 5.754 17.348 ( 1.941 3.099 0.874) 3.759 17.370 ( -0.786 2.070 -4.049) 4.615 17.500 ( 7.404 0.551 0.758) 7.463 17.794 ( -2.098 -3.860 0.350) 4.407 17.810 ( -4.567 -4.177 -2.812) 6.798 17.913 ( -2.533 0.803 -0.236) 2.668 17.947 ( -2.420 1.955 0.326) 3.128 18.130 ( 0.579 -2.547 -0.367) 2.638 18.154 ( -1.256 -2.056 2.059) 3.169 18.174 ( 0.918 -2.600 0.302) 2.774 18.219 ( -0.974 -2.789 -1.633) 3.376 18.806 ( 3.198 0.639 -0.751) 3.347 18.842 ( 3.878 2.291 0.263) 4.511 18.944 ( -4.608 -0.712 0.393) 4.680 19.113 ( -7.725 -0.683 -1.390) 7.879 19.537 ( 0.296 -1.497 0.394) 1.576 19.612 ( 0.579 2.798 1.180) 3.091 19.772 ( -1.911 -4.954 1.200) 5.443 19.909 ( -1.190 -0.506 -1.595) 2.054 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -13.567 6.501 5.801) 16.124 1.471 ( -12.829 16.151 15.120) 25.575 1.549 ( 16.887 4.045 6.885) 18.680 1.657 ( 7.290 8.241 10.229) 15.023 1.840 ( -1.148 6.830 8.173) 10.713 1.897 ( 5.917 -7.240 -2.723) 9.738 1.995 ( 3.851 -1.039 5.456) 6.759 2.321 ( -10.841 -2.099 -8.688) 14.051 2.353 ( -3.077 0.817 -1.475) 3.509 2.459 ( 1.137 3.045 -4.245) 5.346 2.565 ( -12.373 2.946 -9.815) 16.066 2.581 ( 3.778 -3.128 -3.493) 6.021 2.746 ( -1.928 1.150 -2.694) 3.507 2.841 ( -0.996 -2.897 -0.784) 3.162 2.885 ( -5.055 7.618 -4.430) 10.160 2.952 ( 1.068 -0.862 -3.797) 4.038 3.072 ( 9.544 -0.788 3.672) 10.256 3.164 ( 0.650 4.449 3.653) 5.793 3.248 ( 2.815 5.916 -3.047) 7.226 3.407 ( -1.497 -3.036 -0.244) 3.393 3.506 ( 4.563 -4.540 -0.526) 6.459 3.539 ( 2.570 -1.199 2.350) 3.683 3.797 ( -3.953 0.516 -1.167) 4.154 3.806 ( 2.494 5.106 -0.192) 5.686 3.949 ( 3.650 0.179 0.624) 3.708 4.011 ( 2.953 -6.273 -2.190) 7.271 4.015 ( 3.520 4.472 0.530) 5.716 4.110 ( -4.288 -5.258 0.096) 6.785 4.283 ( 2.039 -4.188 -1.597) 4.924 4.314 ( -1.342 -1.577 -2.624) 3.343 4.358 ( -0.500 -3.394 3.038) 4.583 4.447 ( -1.392 1.497 1.107) 2.325 4.525 ( 1.750 -0.608 0.401) 1.895 4.679 ( 2.668 1.645 -0.714) 3.215 4.755 ( -2.806 0.729 2.683) 3.950 4.769 ( -3.061 0.931 3.963) 5.093 4.968 ( -0.816 3.770 -0.366) 3.875 5.094 ( -3.476 4.024 -6.721) 8.570 5.365 ( 0.959 -1.204 4.255) 4.525 5.506 ( 2.328 3.733 5.326) 6.908 5.578 ( -3.201 -2.486 -0.078) 4.054 5.650 ( 5.894 2.837 4.928) 8.190 5.930 ( -8.615 -3.091 -0.333) 9.158 5.976 ( -1.258 -3.849 -1.639) 4.369 6.064 ( 1.705 -4.830 1.365) 5.301 6.118 ( 0.556 -2.483 6.891) 7.346 6.245 ( 2.546 -2.061 -3.656) 4.909 6.373 ( 0.409 -3.332 -4.541) 5.647 6.443 ( -0.676 -2.040 1.845) 2.832 6.621 ( -3.339 2.363 -1.837) 4.484 6.719 ( -0.879 -1.118 -2.222) 2.639 6.839 ( 0.101 -0.679 -0.255) 0.733 6.851 ( 2.080 1.454 -3.957) 4.700 6.986 ( -0.901 -1.809 -3.700) 4.216 7.024 ( 4.263 -3.783 -1.306) 5.847 7.050 ( -2.552 -3.728 -0.602) 4.557 7.252 ( 1.577 2.120 -0.729) 2.741 7.322 ( -2.103 4.512 -0.613) 5.015 7.445 ( -1.329 -1.651 0.164) 2.126 7.470 ( 1.719 -0.937 2.184) 2.933 7.530 ( -1.871 0.709 1.631) 2.581 7.638 ( -1.412 2.713 4.279) 5.260 7.684 ( 1.365 3.015 -0.909) 3.432 7.871 ( 1.318 0.662 -2.270) 2.707 7.960 ( -0.905 -1.788 0.474) 2.059 7.991 ( 1.246 -1.304 0.041) 1.804 8.057 ( -1.192 2.012 1.486) 2.771 8.125 ( 0.896 -0.987 -0.118) 1.338 8.161 ( -1.252 -0.025 -0.860) 1.519 8.195 ( -0.380 -0.559 0.608) 0.909 8.261 ( 0.217 -2.532 1.327) 2.867 8.390 ( 2.384 -0.237 -1.848) 3.025 8.449 ( 0.471 2.280 -1.095) 2.573 8.562 ( -0.454 -1.451 -1.339) 2.026 8.605 ( 0.476 -0.435 0.371) 0.744 8.723 ( -1.098 1.411 -0.957) 2.028 8.899 ( 1.466 0.194 1.746) 2.288 8.953 ( -1.152 1.407 3.357) 3.818 9.222 ( 0.161 -0.619 -1.165) 1.329 9.303 ( -0.685 -0.968 -1.727) 2.095 12.588 ( 0.408 7.745 0.466) 7.769 12.631 ( -0.020 9.675 -0.511) 9.688 14.149 ( -2.867 -3.336 3.814) 5.822 14.450 ( 6.520 -9.443 -2.601) 11.766 17.034 ( -1.329 -0.544 3.703) 3.971 17.056 ( -2.812 0.760 4.225) 5.132 17.110 ( 0.848 -4.250 -2.166) 4.844 17.171 ( 1.203 -2.822 -1.661) 3.488 17.287 ( -1.765 1.058 -2.761) 3.443 17.318 ( -1.957 -0.601 -1.335) 2.444 17.391 ( 3.174 2.106 -0.234) 3.816 17.597 ( -2.811 0.199 -0.774) 2.923 17.727 ( 4.902 -2.548 -2.330) 5.996 17.792 ( -0.961 -0.801 1.006) 1.605 17.906 ( 2.286 0.424 0.889) 2.489 17.915 ( -1.475 1.072 1.034) 2.096 18.117 ( -0.895 -2.929 -1.595) 3.453 18.149 ( -0.516 -0.985 0.528) 1.231 18.173 ( -1.469 -3.796 -1.206) 4.245 18.207 ( 1.213 -2.884 0.413) 3.156 18.869 ( 3.649 -0.317 0.227) 3.669 18.877 ( -3.033 -0.165 0.622) 3.100 18.925 ( 0.834 2.758 0.064) 2.882 18.972 ( -1.335 0.552 -1.954) 2.430 19.556 ( -1.297 0.729 2.227) 2.679 19.625 ( 1.669 1.137 0.343) 2.048 19.759 ( -0.630 -4.907 1.469) 5.161 19.887 ( 0.725 -0.247 -1.482) 1.668 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -18.184 6.404 7.676) 20.750 1.232 ( -22.603 15.485 9.230) 28.912 1.648 ( -29.163 10.112 -6.441) 31.531 1.908 ( 4.421 -2.409 12.198) 13.197 1.924 ( 6.309 -2.624 0.264) 6.838 1.996 ( 4.725 5.232 9.254) 11.633 2.058 ( 3.000 3.165 5.811) 7.265 2.179 ( 2.834 0.625 4.943) 5.732 2.269 ( -0.092 1.749 -4.779) 5.089 2.347 ( 5.737 2.507 -3.711) 7.279 2.483 ( -5.723 5.110 -7.198) 10.520 2.550 ( 2.464 0.825 -0.692) 2.690 2.730 ( 4.225 2.854 -4.220) 6.618 2.787 ( -4.822 1.340 4.170) 6.515 2.888 ( 6.141 -4.309 -1.975) 7.758 2.971 ( 2.345 -1.232 -1.258) 2.932 3.101 ( 3.247 -0.313 -6.576) 7.341 3.213 ( -1.902 6.643 -0.913) 6.970 3.316 ( 6.132 -2.937 -0.450) 6.814 3.328 ( -3.665 -2.475 -2.231) 4.953 3.541 ( -4.217 2.781 -0.298) 5.060 3.617 ( 1.397 3.066 0.132) 3.372 3.695 ( -1.812 0.741 -0.004) 1.958 3.924 ( 8.919 3.066 0.750) 9.461 3.968 ( 0.538 -4.975 -3.801) 6.284 4.024 ( 1.180 -1.761 -3.860) 4.404 4.096 ( -1.336 -4.080 3.153) 5.326 4.135 ( 4.436 0.591 2.624) 5.188 4.204 ( -2.587 -2.177 -5.379) 6.353 4.310 ( 1.416 0.312 -0.090) 1.453 4.388 ( 0.010 -4.076 1.790) 4.452 4.456 ( 0.074 0.123 3.713) 3.716 4.576 ( 0.407 -0.685 1.374) 1.588 4.608 ( -3.810 -0.675 -1.446) 4.131 4.728 ( 0.765 1.897 2.124) 2.949 4.834 ( 3.211 -0.666 -0.049) 3.280 4.980 ( -1.846 5.038 -3.425) 6.365 4.993 ( 1.413 4.274 3.652) 5.797 5.424 ( -2.659 -1.449 1.863) 3.555 5.560 ( 6.207 -2.184 2.135) 6.918 5.616 ( -1.206 -1.223 5.927) 6.171 5.755 ( -4.651 -2.388 -4.703) 7.032 5.822 ( 4.066 0.590 4.587) 6.158 5.974 ( 3.871 -3.131 -1.578) 5.223 6.093 ( 0.177 -4.672 0.024) 4.675 6.179 ( -1.169 -2.443 -1.275) 2.994 6.261 ( 1.862 -4.901 3.112) 6.097 6.347 ( -3.877 -4.067 -5.568) 7.911 6.426 ( 3.167 0.137 3.204) 4.507 6.555 ( -2.750 2.121 3.223) 4.738 6.700 ( 0.135 1.230 -0.993) 1.586 6.775 ( -2.427 2.769 -3.591) 5.143 6.850 ( 0.646 1.739 -1.855) 2.623 6.941 ( 0.194 1.277 -4.258) 4.449 6.978 ( -2.999 -3.396 -3.172) 5.531 7.090 ( 2.498 -3.320 -1.706) 4.492 7.216 ( -4.075 3.166 0.541) 5.189 7.298 ( 0.635 0.828 -0.592) 1.200 7.433 ( -0.415 -1.186 -0.195) 1.271 7.509 ( 0.271 -1.524 0.870) 1.775 7.528 ( -0.749 0.588 3.154) 3.295 7.644 ( -1.814 3.329 2.808) 4.717 7.704 ( 1.441 2.943 -0.832) 3.381 7.861 ( -0.004 2.213 -2.227) 3.140 7.949 ( -0.451 -3.628 0.478) 3.687 8.030 ( -1.510 -0.498 2.249) 2.754 8.048 ( 2.155 -1.084 -0.040) 2.413 8.113 ( -0.261 0.169 -1.107) 1.150 8.166 ( 1.914 -1.875 0.237) 2.689 8.220 ( 0.797 0.170 1.950) 2.113 8.275 ( 1.050 -2.113 -0.853) 2.509 8.394 ( 0.242 1.031 -2.455) 2.674 8.476 ( 1.720 0.085 1.619) 2.364 8.547 ( 0.819 -0.760 -1.857) 2.167 8.621 ( -0.079 -1.290 2.150) 2.508 8.684 ( -0.498 0.703 -3.669) 3.768 8.937 ( -2.892 2.373 1.267) 3.950 8.955 ( 1.295 0.745 3.799) 4.082 9.226 ( 0.617 -0.776 -0.056) 0.993 9.258 ( -1.385 -0.563 -2.604) 3.002 12.599 ( -0.105 7.545 0.008) 7.545 12.654 ( 3.915 12.002 -0.089) 12.625 14.102 ( -4.905 -3.014 2.559) 6.300 14.562 ( 6.327 -13.571 -2.917) 15.255 17.025 ( -3.223 -0.368 0.634) 3.305 17.040 ( -2.229 -0.321 0.848) 2.406 17.068 ( -3.103 0.766 4.115) 5.210 17.141 ( -4.045 0.631 0.715) 4.155 17.276 ( 2.925 -2.372 0.779) 3.845 17.300 ( 1.645 -2.814 -0.867) 3.373 17.416 ( 0.175 2.426 -1.360) 2.787 17.512 ( -1.988 2.118 -2.995) 4.173 17.735 ( -3.339 2.091 -2.191) 4.508 17.828 ( 2.183 -3.050 3.048) 4.833 17.924 ( 3.276 1.862 -0.865) 3.866 18.010 ( 4.968 -1.681 1.975) 5.604 18.066 ( -1.945 -5.200 -3.238) 6.427 18.131 ( -0.552 -3.083 -1.559) 3.499 18.150 ( -0.481 -0.538 0.495) 0.875 18.235 ( 0.968 -3.146 0.604) 3.346 18.827 ( -3.285 0.036 -0.402) 3.310 18.831 ( -3.719 1.288 0.134) 3.938 18.959 ( 4.052 -1.098 1.556) 4.477 19.046 ( 5.721 3.544 -3.400) 7.539 19.506 ( -3.313 1.719 0.478) 3.763 19.719 ( 4.723 -2.585 2.274) 5.844 19.764 ( -0.986 -3.937 1.386) 4.289 19.907 ( 3.045 -1.779 -1.796) 3.958 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -20.241 8.900 3.971) 22.465 0.754 ( -21.538 14.371 2.207) 25.986 1.193 ( -22.073 26.466 18.740) 39.229 1.856 ( -3.824 -5.789 -8.765) 11.179 1.970 ( -0.446 -2.052 -0.071) 2.101 2.154 ( 3.893 0.627 3.786) 5.466 2.181 ( 2.296 5.656 1.013) 6.188 2.220 ( -2.891 2.650 5.003) 6.357 2.295 ( -2.218 4.621 -5.566) 7.566 2.377 ( 4.025 1.140 5.109) 6.603 2.499 ( 5.345 7.336 -2.701) 9.470 2.603 ( 3.535 6.184 -1.918) 7.377 2.767 ( -1.278 0.637 6.716) 6.867 2.789 ( 2.093 0.469 0.560) 2.217 2.861 ( -4.784 5.496 -0.546) 7.307 3.022 ( 4.816 -2.496 -5.822) 7.958 3.154 ( -1.822 -4.994 3.625) 6.434 3.203 ( 1.846 3.154 -5.606) 6.692 3.240 ( 5.827 1.258 -3.454) 6.890 3.347 ( -1.675 -3.196 -3.541) 5.056 3.483 ( -1.499 -3.887 5.127) 6.606 3.577 ( -2.203 5.103 -2.009) 5.911 3.718 ( 0.986 5.620 -0.094) 5.706 3.936 ( 1.285 -4.573 -7.518) 8.893 3.992 ( 0.869 -0.540 -4.988) 5.092 4.044 ( -2.583 -4.525 1.242) 5.357 4.088 ( 7.535 0.909 -2.613) 8.027 4.153 ( 3.711 2.842 -2.038) 5.099 4.234 ( 0.878 0.484 2.157) 2.378 4.334 ( -0.721 -0.734 -2.573) 2.771 4.407 ( 1.861 -5.370 3.680) 6.771 4.484 ( -0.782 -0.943 1.600) 2.015 4.549 ( -0.505 -0.237 -3.230) 3.278 4.584 ( 1.030 0.779 -0.151) 1.300 4.807 ( 0.479 0.721 3.837) 3.933 4.867 ( -1.784 -2.101 0.920) 2.906 4.925 ( 0.680 3.354 0.308) 3.436 5.079 ( 1.691 1.737 -2.210) 3.280 5.393 ( -0.208 -4.772 3.432) 5.881 5.536 ( -3.540 -1.880 2.289) 4.616 5.643 ( -0.668 -1.782 0.718) 2.034 5.806 ( 5.551 -2.161 5.816) 8.325 5.880 ( 0.531 -2.082 -0.407) 2.187 6.056 ( -1.149 -5.632 1.012) 5.836 6.075 ( 0.701 -1.254 1.974) 2.442 6.147 ( -1.165 -7.480 -3.962) 8.544 6.168 ( 1.107 0.110 0.434) 1.194 6.421 ( 1.902 -3.805 3.040) 5.228 6.486 ( 1.567 3.467 -3.054) 4.878 6.542 ( -0.618 0.436 4.218) 4.285 6.686 ( -4.587 7.178 2.608) 8.909 6.766 ( 3.086 -5.544 -2.218) 6.722 6.854 ( 1.767 3.076 4.358) 5.619 6.876 ( -1.441 1.695 -2.751) 3.538 6.931 ( 2.528 0.337 -2.521) 3.586 7.093 ( -0.030 -1.650 0.794) 1.831 7.160 ( -0.965 0.428 -2.091) 2.342 7.314 ( 0.617 2.232 0.260) 2.330 7.417 ( -0.679 -3.015 -0.451) 3.124 7.503 ( -2.839 -2.785 2.323) 4.606 7.558 ( 1.250 0.246 1.846) 2.244 7.631 ( -2.225 2.639 2.708) 4.387 7.724 ( 1.655 1.887 -1.228) 2.794 7.829 ( -0.888 4.047 -1.731) 4.491 7.944 ( -0.373 -3.681 -0.042) 3.700 8.010 ( -1.745 -0.747 1.329) 2.317 8.091 ( 1.478 -3.822 -1.665) 4.423 8.109 ( 0.576 -1.851 -0.839) 2.112 8.210 ( 1.647 -0.165 1.312) 2.112 8.262 ( 1.495 0.726 1.847) 2.485 8.278 ( 0.308 -2.111 -2.037) 2.949 8.360 ( -2.116 1.507 -0.202) 2.606 8.501 ( 2.099 -2.410 -3.724) 4.907 8.556 ( -1.389 -0.053 0.500) 1.477 8.636 ( 0.654 -0.771 1.584) 1.878 8.666 ( 1.375 0.297 0.183) 1.419 8.881 ( -2.457 3.431 -1.160) 4.377 9.003 ( -0.244 1.004 1.437) 1.770 9.198 ( -0.781 -0.988 -0.945) 1.575 9.257 ( 0.675 -0.588 1.480) 1.729 12.594 ( -0.098 7.387 -0.013) 7.388 12.795 ( 12.885 16.455 -4.184) 21.315 14.039 ( -3.713 -2.685 2.327) 5.139 14.522 ( -6.379 -15.784 -9.876) 19.681 16.966 ( -1.235 2.569 -0.720) 2.940 17.005 ( -1.516 0.576 0.026) 1.622 17.061 ( -3.020 1.341 4.050) 5.227 17.097 ( -2.101 1.509 3.648) 4.472 17.307 ( -0.172 -0.401 -2.429) 2.468 17.381 ( -1.576 1.414 -1.361) 2.517 17.409 ( 2.281 -0.548 3.078) 3.870 17.491 ( 4.232 1.558 3.428) 5.664 17.641 ( -3.704 0.353 -4.295) 5.682 17.852 ( 0.004 -1.107 0.381) 1.171 17.983 ( -2.273 -6.843 -1.513) 7.368 18.009 ( 3.746 -0.424 -0.179) 3.774 18.095 ( 1.715 -1.974 1.084) 2.830 18.113 ( -0.483 -2.476 0.148) 2.527 18.151 ( 1.236 -0.266 -1.350) 1.850 18.254 ( 0.459 -2.652 0.486) 2.735 18.767 ( -2.166 1.282 0.038) 2.517 18.788 ( -1.098 0.257 -0.456) 1.217 19.043 ( 2.021 -2.030 2.586) 3.859 19.115 ( 7.246 6.424 -3.234) 10.209 19.469 ( -1.516 -0.823 0.399) 1.770 19.729 ( -4.806 -4.114 2.466) 6.790 19.790 ( 1.084 -4.151 -0.552) 4.326 19.958 ( 3.527 -3.277 -1.626) 5.082 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 7.398 18.353 14.044) 24.265 1.179 ( 10.071 26.087 -2.034) 28.037 1.614 ( -2.627 -1.183 -9.602) 10.025 1.669 ( -10.198 26.372 19.448) 34.318 2.012 ( 0.604 2.506 -1.607) 3.038 2.111 ( -4.571 -0.616 -7.221) 8.569 2.194 ( -4.390 0.115 0.192) 4.395 2.260 ( -1.257 2.985 2.453) 4.063 2.348 ( 1.298 5.553 -1.200) 5.827 2.503 ( -0.705 4.401 7.139) 8.416 2.667 ( -1.920 7.984 -1.556) 8.358 2.783 ( -2.242 4.744 -2.902) 5.996 2.808 ( -0.710 3.261 -2.359) 4.087 2.910 ( -0.623 3.041 1.760) 3.569 2.956 ( 0.722 -3.009 -1.064) 3.272 3.018 ( -1.368 5.398 1.073) 5.671 3.080 ( 0.352 -2.270 -1.077) 2.537 3.158 ( 6.456 1.907 1.556) 6.909 3.286 ( 3.284 1.484 -3.632) 5.116 3.366 ( -2.666 -6.497 3.712) 7.944 3.495 ( 3.637 7.080 -4.578) 9.182 3.593 ( 1.034 -2.914 -5.385) 6.210 3.772 ( 2.692 -4.051 -0.460) 4.885 3.860 ( 1.255 6.805 -1.330) 7.046 3.919 ( -0.831 -0.905 0.377) 1.285 3.997 ( 1.490 -3.877 -0.261) 4.162 4.130 ( -0.469 -5.819 1.303) 5.981 4.144 ( -1.963 -2.330 -4.963) 5.824 4.184 ( -2.669 -4.473 2.816) 5.922 4.281 ( 0.783 1.217 -2.240) 2.666 4.378 ( -0.371 -1.545 0.303) 1.617 4.404 ( -1.632 -1.925 -1.121) 2.762 4.530 ( -0.501 -0.684 0.518) 0.994 4.549 ( 1.709 -3.252 -0.219) 3.680 4.831 ( -2.258 0.762 0.403) 2.417 4.858 ( 0.250 0.799 -0.733) 1.112 5.024 ( 0.011 1.780 1.585) 2.383 5.097 ( -0.514 1.210 0.536) 1.420 5.306 ( 0.462 -4.455 3.027) 5.406 5.508 ( 0.945 -2.588 1.106) 2.969 5.579 ( -0.552 -4.436 1.007) 4.582 5.758 ( 0.985 -6.276 -3.223) 7.123 5.811 ( -2.691 -7.023 1.720) 7.715 5.931 ( 0.874 -3.694 4.037) 5.541 5.986 ( -0.569 -4.098 -0.612) 4.182 6.126 ( 6.817 -7.055 12.068) 15.553 6.233 ( 0.923 -2.136 3.405) 4.124 6.346 ( -0.365 -6.451 1.919) 6.740 6.474 ( -2.720 4.045 -6.272) 7.943 6.554 ( -2.579 -0.865 -5.092) 5.773 6.703 ( 1.521 1.960 -3.241) 4.081 6.778 ( -0.344 3.973 -0.556) 4.027 6.856 ( -1.828 -1.420 3.153) 3.912 6.898 ( 0.240 0.475 -0.986) 1.121 7.014 ( 2.260 -0.768 -2.047) 3.144 7.096 ( 5.023 1.210 2.027) 5.550 7.174 ( -1.258 1.898 -3.687) 4.333 7.322 ( -2.521 -1.817 -0.675) 3.180 7.386 ( 1.304 0.997 0.945) 1.894 7.442 ( -0.877 0.838 3.394) 3.605 7.576 ( -0.488 -1.383 1.394) 2.024 7.677 ( -1.596 2.688 1.742) 3.579 7.767 ( 1.301 2.142 -1.618) 2.983 7.862 ( -1.706 -0.277 -0.016) 1.729 7.877 ( 1.875 -2.391 -0.878) 3.163 7.961 ( 0.462 -0.469 0.388) 0.764 8.051 ( 0.846 -3.599 -0.189) 3.702 8.064 ( 1.455 -0.122 -1.004) 1.772 8.181 ( -3.784 -2.756 1.966) 5.077 8.263 ( 1.168 1.107 -1.453) 2.168 8.343 ( 2.379 1.364 0.230) 2.752 8.358 ( -1.935 0.776 0.621) 2.175 8.468 ( 2.873 -2.009 -1.877) 3.977 8.492 ( -2.446 0.419 -2.151) 3.284 8.624 ( -1.843 -1.633 3.679) 4.427 8.724 ( 2.370 -0.171 0.495) 2.427 8.930 ( -0.028 4.107 -1.706) 4.448 8.990 ( -2.400 2.192 -2.940) 4.383 9.193 ( 1.439 -1.711 2.313) 3.217 9.252 ( -0.217 -1.291 0.606) 1.442 12.810 ( 0.292 12.362 1.352) 12.439 13.090 ( 0.191 7.670 -7.820) 10.955 13.938 ( -0.492 -5.479 2.451) 6.022 14.158 ( 0.819 -10.023 -2.853) 10.454 17.005 ( 0.101 1.643 1.067) 1.962 17.059 ( 0.592 2.140 1.569) 2.719 17.085 ( -1.398 2.292 2.750) 3.843 17.111 ( -1.689 0.211 3.360) 3.767 17.291 ( -3.189 3.552 -3.569) 5.960 17.317 ( -5.243 3.904 -4.606) 7.997 17.456 ( 1.973 1.586 0.719) 2.632 17.545 ( -2.066 2.629 -3.989) 5.205 17.687 ( 5.819 -1.485 6.449) 8.812 17.782 ( -3.106 -5.444 3.033) 6.963 17.926 ( 5.345 -2.478 -3.377) 6.791 17.944 ( 0.081 -5.765 0.137) 5.768 18.089 ( -0.206 -0.113 -0.219) 0.321 18.112 ( 0.444 0.233 -0.089) 0.510 18.130 ( 0.549 -1.671 -1.520) 2.324 18.220 ( -0.065 -1.406 -0.597) 1.529 18.785 ( 0.743 1.862 -0.082) 2.006 18.792 ( 0.072 0.618 -0.186) 0.650 19.004 ( -1.795 -3.693 2.025) 4.579 19.218 ( 3.368 -5.741 -3.239) 7.402 19.448 ( 0.779 2.711 2.274) 3.623 19.633 ( -2.653 -6.178 -2.480) 7.166 19.668 ( -0.727 -2.412 4.727) 5.357 19.880 ( 0.880 -5.759 -1.393) 5.990 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 9.409 18.033 7.622) 21.721 1.441 ( 5.670 13.851 7.079) 16.556 1.497 ( 3.036 7.775 -6.511) 10.586 1.717 ( -5.437 6.095 -13.323) 15.627 1.845 ( 7.729 14.475 14.116) 21.645 2.007 ( -7.580 2.426 -4.382) 9.086 2.136 ( -1.449 0.687 0.532) 1.689 2.274 ( -4.736 3.672 5.732) 8.293 2.428 ( 5.137 4.406 2.767) 7.311 2.541 ( -2.093 10.176 7.731) 12.950 2.619 ( -7.728 1.597 -2.084) 8.162 2.694 ( -4.463 -0.532 4.042) 6.044 2.765 ( 3.728 1.639 -5.908) 7.175 2.823 ( -2.351 -1.793 0.672) 3.033 2.935 ( -3.134 -0.689 1.437) 3.515 3.030 ( 1.419 5.663 -3.477) 6.795 3.157 ( 2.863 -2.015 -0.504) 3.537 3.188 ( -5.017 -4.088 4.281) 7.760 3.297 ( 7.094 8.014 -4.746) 11.708 3.357 ( 2.635 1.972 -4.694) 5.733 3.528 ( 3.422 -3.181 -7.241) 8.618 3.598 ( -0.347 1.052 0.104) 1.112 3.834 ( -4.873 -2.468 -2.695) 6.092 3.863 ( 4.392 3.502 -0.647) 5.654 3.879 ( -1.649 1.460 4.056) 4.616 3.956 ( -0.720 -3.232 -3.838) 5.069 4.039 ( -5.867 -3.592 -3.206) 7.590 4.118 ( 2.796 -4.269 -0.253) 5.109 4.223 ( 0.637 0.122 5.910) 5.945 4.299 ( -0.438 -3.883 3.420) 5.193 4.349 ( -0.859 -0.634 -2.330) 2.563 4.381 ( -0.684 -2.455 -1.368) 2.892 4.507 ( -0.370 -0.646 -2.903) 2.997 4.594 ( 2.358 0.531 -0.417) 2.453 4.781 ( -2.378 1.331 0.847) 2.853 4.865 ( -0.384 -0.298 1.119) 1.220 5.001 ( -2.178 -1.330 0.786) 2.670 5.160 ( 3.997 1.463 2.932) 5.169 5.367 ( 2.438 -2.767 3.487) 5.075 5.479 ( -3.363 -5.405 -4.219) 7.637 5.528 ( -1.469 2.631 0.441) 3.046 5.769 ( 0.262 -1.532 -1.226) 1.979 5.852 ( 0.245 -11.626 4.945) 12.637 5.932 ( -0.649 -6.349 -0.496) 6.402 5.972 ( -3.447 -3.545 3.562) 6.094 6.154 ( -7.145 -0.254 -1.196) 7.249 6.349 ( -0.816 2.996 -4.755) 5.679 6.366 ( 2.118 -1.568 0.554) 2.693 6.390 ( 1.605 -3.657 7.331) 8.348 6.513 ( 0.555 -6.481 2.822) 7.090 6.689 ( 1.594 2.738 -2.586) 4.090 6.772 ( 0.590 0.437 -2.943) 3.033 6.845 ( -1.166 -7.801 0.355) 7.896 6.900 ( 0.710 1.559 0.297) 1.738 7.043 ( 1.618 -2.597 -3.128) 4.376 7.086 ( -1.317 5.724 -4.812) 7.593 7.205 ( 2.558 0.606 4.272) 5.016 7.275 ( 0.235 -1.065 -2.033) 2.307 7.432 ( 1.146 -2.045 1.418) 2.740 7.488 ( 1.643 2.604 2.291) 3.838 7.564 ( -1.674 -1.464 1.046) 2.458 7.661 ( -2.017 2.077 1.684) 3.349 7.768 ( 0.672 3.073 -2.448) 3.986 7.847 ( 1.166 -0.368 -0.880) 1.506 7.919 ( 1.641 -1.591 0.799) 2.421 7.990 ( 1.544 0.646 0.268) 1.695 8.053 ( -1.152 -0.203 -0.663) 1.345 8.081 ( 1.285 -0.516 -0.806) 1.603 8.128 ( -1.455 -4.234 1.523) 4.729 8.247 ( -1.649 2.432 -0.429) 2.969 8.322 ( -2.644 -0.092 0.495) 2.691 8.396 ( 2.780 1.068 -1.046) 3.157 8.434 ( -0.666 0.502 -1.622) 1.824 8.521 ( 3.220 -1.726 -0.120) 3.656 8.610 ( -2.540 -1.110 2.211) 3.545 8.760 ( 0.722 -1.299 0.457) 1.555 8.915 ( -1.201 2.834 -1.975) 3.657 8.932 ( 0.449 3.500 -0.754) 3.608 9.230 ( -0.258 -1.753 0.826) 1.956 9.258 ( 0.929 -1.854 0.673) 2.180 12.826 ( -0.637 12.542 1.414) 12.638 12.964 ( -3.866 11.963 -4.857) 13.478 13.976 ( 1.265 -6.102 2.646) 6.770 14.174 ( 3.379 -11.215 -4.331) 12.488 16.999 ( -1.682 -0.335 0.974) 1.972 17.040 ( -3.389 1.307 -0.620) 3.685 17.080 ( -2.078 0.679 5.071) 5.522 17.130 ( -0.665 0.927 4.347) 4.494 17.238 ( 1.658 3.098 -3.140) 4.712 17.288 ( 5.001 2.816 0.627) 5.773 17.466 ( -1.046 1.564 -1.609) 2.476 17.502 ( 0.740 3.503 -2.325) 4.269 17.734 ( -3.623 -6.144 0.905) 7.190 17.768 ( -1.701 -4.748 2.247) 5.521 17.961 ( 0.254 -2.060 -0.037) 2.076 17.983 ( 3.073 -0.845 -2.772) 4.223 18.061 ( -1.082 -1.208 -0.473) 1.689 18.109 ( -0.926 -0.873 1.491) 1.960 18.135 ( 1.165 -1.308 -1.091) 2.064 18.208 ( -0.269 -1.241 -1.180) 1.733 18.792 ( 0.766 0.724 -0.550) 1.189 18.819 ( 2.290 1.417 0.124) 2.696 18.969 ( -3.413 -3.389 1.531) 5.048 19.187 ( -2.874 -4.755 -2.411) 6.056 19.493 ( -0.580 -2.714 -0.799) 2.888 19.602 ( 3.361 0.739 0.778) 3.528 19.687 ( -2.390 -5.312 2.717) 6.427 19.887 ( 1.359 -3.246 -1.117) 3.692 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 8.362 5.023 -8.581) 12.991 1.488 ( 3.164 16.098 2.324) 16.570 1.604 ( 6.018 1.493 -7.375) 9.635 1.690 ( 1.495 17.295 15.119) 23.020 1.822 ( -0.920 2.123 -4.407) 4.977 2.053 ( -6.518 4.352 3.599) 8.624 2.162 ( -9.368 12.099 7.563) 17.069 2.179 ( 2.673 -3.434 3.257) 5.436 2.397 ( -11.069 -4.140 4.089) 12.505 2.531 ( 3.356 2.378 -1.580) 4.406 2.620 ( -2.904 0.538 -4.607) 5.472 2.713 ( 5.462 1.679 9.849) 11.387 2.780 ( 2.213 0.796 1.791) 2.956 2.846 ( -3.790 -3.904 0.470) 5.461 2.957 ( 8.313 0.170 5.308) 9.865 2.974 ( 0.489 8.513 -6.926) 10.985 3.101 ( -5.066 1.858 -1.300) 5.550 3.248 ( 1.676 0.861 -2.510) 3.139 3.346 ( 2.368 8.718 -2.520) 9.379 3.355 ( 2.720 -0.211 -6.952) 7.468 3.447 ( -2.951 -6.066 -7.278) 9.923 3.565 ( -2.465 7.159 2.724) 8.046 3.721 ( 2.145 -3.552 -3.162) 5.217 3.853 ( -3.700 1.277 -1.092) 4.064 3.924 ( -1.614 -3.010 3.645) 4.995 3.943 ( -0.039 -0.147 0.216) 0.264 4.011 ( 5.435 1.590 1.666) 5.903 4.130 ( -1.591 -5.772 -2.849) 6.631 4.229 ( -3.972 -2.684 -1.181) 4.937 4.286 ( -0.424 1.983 1.490) 2.516 4.334 ( -1.814 -2.219 -0.848) 2.989 4.396 ( 2.884 -3.337 4.099) 6.021 4.474 ( 0.485 -1.777 -2.674) 3.247 4.648 ( 3.551 2.627 0.264) 4.425 4.762 ( -1.365 -0.048 2.265) 2.645 4.845 ( -2.603 0.111 0.191) 2.612 4.995 ( -0.880 -0.245 3.399) 3.520 5.249 ( 2.308 1.519 -0.847) 2.890 5.376 ( -3.200 -1.871 -1.251) 3.913 5.470 ( 3.864 -3.394 2.982) 5.945 5.496 ( 0.209 2.618 -2.371) 3.538 5.729 ( -2.651 2.934 -1.673) 4.294 5.880 ( -0.091 -7.837 0.502) 7.853 5.922 ( -3.012 -8.844 3.132) 9.854 5.932 ( -1.829 -5.142 1.995) 5.811 6.056 ( -3.412 1.254 4.156) 5.521 6.206 ( -3.465 -1.421 -6.377) 7.395 6.379 ( -0.705 -3.101 -2.461) 4.022 6.433 ( -0.144 0.388 -1.153) 1.225 6.652 ( 5.526 -2.561 5.937) 8.506 6.710 ( -0.209 -1.368 -1.415) 1.979 6.738 ( 0.622 -0.694 -2.933) 3.078 6.836 ( -0.823 -9.240 2.760) 9.678 6.932 ( 2.142 -0.051 -0.326) 2.168 6.933 ( -2.293 0.938 -5.637) 6.157 7.120 ( 1.803 4.394 -0.167) 4.753 7.268 ( 3.011 2.062 -2.252) 4.288 7.304 ( 1.499 -2.242 3.831) 4.685 7.442 ( -0.915 -1.812 0.309) 2.053 7.505 ( 0.583 2.045 -3.570) 4.155 7.553 ( -2.395 0.745 4.233) 4.920 7.645 ( -1.824 0.996 3.352) 3.944 7.754 ( 0.666 3.347 -2.081) 3.997 7.873 ( 2.289 0.217 -1.345) 2.664 7.942 ( 0.069 -2.043 -0.792) 2.193 7.967 ( -1.648 -1.341 -0.653) 2.223 8.058 ( 1.941 2.652 0.500) 3.325 8.117 ( 2.437 -0.997 0.248) 2.645 8.143 ( 0.629 -1.726 0.013) 1.837 8.212 ( -1.763 1.785 0.846) 2.648 8.259 ( -4.115 -0.184 0.423) 4.141 8.392 ( 0.319 1.895 -2.011) 2.781 8.457 ( 2.109 -0.872 -0.913) 2.458 8.560 ( -0.577 -1.405 0.260) 1.541 8.591 ( 0.298 -0.090 0.291) 0.426 8.757 ( -0.815 -1.651 -0.641) 1.949 8.892 ( 0.324 2.978 0.073) 2.997 8.956 ( 0.842 2.348 2.061) 3.236 9.217 ( -0.580 -1.460 -0.717) 1.727 9.281 ( 0.505 -2.112 0.044) 2.172 12.803 ( -1.603 11.942 -0.037) 12.050 12.897 ( -0.934 13.868 -0.833) 13.924 14.021 ( 0.587 -7.812 2.234) 8.146 14.192 ( 2.728 -10.446 -3.100) 11.233 16.981 ( 0.098 -2.027 -0.323) 2.055 17.015 ( 0.520 -2.133 0.052) 2.196 17.083 ( -3.149 0.049 5.489) 6.329 17.130 ( -1.733 -0.423 2.238) 2.861 17.308 ( 4.305 2.093 1.509) 5.019 17.392 ( -0.285 1.490 3.185) 3.528 17.403 ( -3.381 0.976 -2.274) 4.190 17.517 ( 4.790 1.011 -0.415) 4.914 17.665 ( -2.892 -7.790 -2.286) 8.618 17.727 ( -0.690 -3.398 -2.103) 4.056 17.932 ( -1.417 0.643 -0.268) 1.578 17.979 ( -1.330 1.105 -0.918) 1.957 18.069 ( 1.434 -2.741 -0.456) 3.126 18.113 ( 0.112 -2.377 0.221) 2.390 18.148 ( 0.500 0.714 0.095) 0.877 18.184 ( -0.586 -0.534 -1.993) 2.145 18.809 ( 1.669 -0.526 -0.473) 1.813 18.869 ( 1.956 -0.366 -0.045) 1.991 18.924 ( -1.441 -0.779 0.894) 1.866 19.085 ( -5.090 -1.986 -1.925) 5.793 19.473 ( 0.946 -4.363 -0.665) 4.514 19.647 ( -3.276 -6.942 2.006) 7.934 19.695 ( 2.511 4.563 2.050) 5.597 19.890 ( 0.315 -1.042 -1.969) 2.249 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -10.096 10.848 -4.251) 15.418 1.599 ( 13.117 -1.588 0.242) 13.216 1.730 ( 10.049 0.785 -2.412) 10.364 1.822 ( -5.996 14.075 9.768) 18.151 1.940 ( 5.875 13.857 4.390) 15.678 2.000 ( -5.703 5.969 10.018) 12.981 2.026 ( 0.603 2.641 8.233) 8.667 2.238 ( -2.767 -6.408 1.445) 7.128 2.269 ( -5.560 -1.384 5.056) 7.641 2.507 ( -0.127 -1.388 -4.633) 4.838 2.562 ( 1.800 1.550 -4.884) 5.431 2.631 ( -11.569 3.904 -9.200) 15.288 2.744 ( -5.401 -2.512 -1.076) 6.053 2.868 ( -2.398 1.740 -2.561) 3.916 2.923 ( 1.302 -0.321 -0.018) 1.341 2.989 ( 2.350 3.674 -3.627) 5.673 3.150 ( -1.735 8.656 -1.418) 8.941 3.229 ( 0.702 0.143 -3.361) 3.437 3.327 ( 3.099 1.945 -1.807) 4.080 3.391 ( 2.155 2.797 0.142) 3.534 3.431 ( 9.118 -2.156 0.849) 9.408 3.614 ( 1.948 6.419 5.231) 8.506 3.759 ( -0.756 -3.992 0.776) 4.136 3.836 ( 1.704 -0.485 -0.538) 1.851 3.892 ( -3.808 -1.807 -0.364) 4.231 3.973 ( 4.121 -0.756 -0.190) 4.194 4.050 ( -0.689 -1.706 -0.363) 1.875 4.115 ( 2.276 -0.753 1.159) 2.663 4.164 ( -1.295 1.455 -1.331) 2.359 4.288 ( -0.604 -1.349 1.028) 1.801 4.306 ( -0.467 -2.103 -0.336) 2.180 4.453 ( -0.918 -1.172 2.778) 3.152 4.490 ( 2.032 -2.895 0.763) 3.619 4.705 ( 0.061 0.648 -0.833) 1.057 4.755 ( -1.757 -1.086 1.263) 2.421 4.787 ( -1.159 0.526 -0.233) 1.294 5.029 ( -0.024 1.899 5.057) 5.402 5.197 ( -2.443 5.885 -5.668) 8.528 5.357 ( 1.694 -0.232 1.404) 2.212 5.496 ( -2.610 -4.768 -0.413) 5.451 5.544 ( 2.556 -0.542 1.481) 3.003 5.718 ( 3.043 2.600 1.710) 4.352 5.820 ( -5.589 -8.267 -1.332) 10.068 5.868 ( -2.132 -5.561 -0.867) 6.019 5.952 ( 1.396 -5.022 1.230) 5.356 6.070 ( -1.505 -2.302 4.314) 5.116 6.222 ( 7.036 0.606 5.009) 8.659 6.266 ( -2.167 -5.589 -11.518) 12.984 6.429 ( -1.332 -0.496 -1.291) 1.920 6.577 ( -4.364 -3.152 -5.841) 7.943 6.760 ( 0.899 2.147 2.920) 3.734 6.799 ( 1.752 -2.504 1.166) 3.271 6.868 ( 0.447 -6.356 2.902) 7.001 6.889 ( 1.084 1.489 0.054) 1.843 6.964 ( 2.700 -0.905 -2.440) 3.750 7.103 ( -1.721 4.644 -2.496) 5.546 7.303 ( 1.658 2.839 -1.895) 3.795 7.347 ( -1.202 -2.897 3.826) 4.947 7.433 ( -0.356 0.297 0.570) 0.735 7.465 ( 0.341 1.555 -3.970) 4.277 7.544 ( -2.383 1.005 3.542) 4.385 7.667 ( -0.027 0.120 4.189) 4.191 7.757 ( 1.268 3.420 -1.313) 3.877 7.896 ( 0.925 -1.295 -0.590) 1.697 7.914 ( -0.112 -0.564 -2.590) 2.653 7.957 ( -0.218 -0.830 -0.082) 0.862 8.099 ( -0.910 2.122 1.573) 2.793 8.109 ( 0.702 -0.505 -1.249) 1.519 8.170 ( -1.925 -0.920 -1.436) 2.572 8.195 ( 1.700 1.874 1.441) 2.912 8.213 ( -0.680 -1.417 0.956) 1.840 8.390 ( 1.763 0.180 -2.699) 3.229 8.477 ( 0.464 0.358 0.740) 0.944 8.534 ( -1.014 -1.032 -0.460) 1.518 8.598 ( 0.019 -0.264 -0.548) 0.609 8.726 ( -0.795 -1.332 -2.178) 2.674 8.923 ( 1.187 2.204 2.535) 3.563 8.992 ( -0.253 2.307 3.063) 3.843 9.203 ( 0.158 -1.236 -0.976) 1.583 9.274 ( -0.592 -1.873 -1.257) 2.332 12.796 ( 0.465 11.933 0.846) 11.972 12.879 ( 0.150 13.784 -1.116) 13.830 14.039 ( -1.401 -7.823 2.373) 8.294 14.220 ( 2.843 -11.851 -1.710) 12.307 17.000 ( 1.106 -2.206 1.512) 2.894 17.039 ( 0.344 -2.345 1.674) 2.902 17.073 ( -3.075 -0.213 4.646) 5.576 17.132 ( 0.182 -1.333 1.317) 1.882 17.286 ( -3.952 -0.531 -3.640) 5.399 17.299 ( -4.172 -1.100 -1.850) 4.695 17.432 ( 2.777 1.845 0.903) 3.455 17.581 ( -0.108 -3.245 -3.395) 4.698 17.666 ( 3.696 -1.835 3.829) 5.630 17.737 ( 1.706 -3.255 1.772) 4.079 17.928 ( 1.120 1.022 0.292) 1.545 17.942 ( -1.177 1.833 -0.719) 2.293 18.069 ( 0.059 -1.681 -3.397) 3.791 18.106 ( -0.127 -2.566 -2.247) 3.413 18.150 ( -0.177 1.161 0.000) 1.175 18.161 ( 0.211 -1.084 -0.568) 1.242 18.844 ( 1.142 -1.753 0.324) 2.117 18.855 ( -1.365 -2.346 0.715) 2.807 18.966 ( -1.606 0.959 -1.017) 2.129 18.982 ( 2.383 0.211 -1.480) 2.813 19.521 ( 2.658 -3.529 2.535) 5.094 19.628 ( -1.232 -6.943 3.226) 7.754 19.694 ( -2.666 4.067 -1.436) 5.071 19.877 ( 0.902 -0.513 -2.500) 2.707 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -8.278 13.972 -4.209) 16.777 1.529 ( -20.912 14.443 -3.571) 25.665 1.731 ( 0.162 -6.708 2.609) 7.200 1.904 ( 3.717 0.294 -0.338) 3.744 2.032 ( -9.130 17.382 7.743) 21.105 2.077 ( -1.807 0.932 6.284) 6.605 2.135 ( -1.209 1.651 2.361) 3.124 2.229 ( 2.828 4.720 10.027) 11.438 2.337 ( 2.818 4.992 0.350) 5.743 2.381 ( 10.718 2.312 -0.017) 10.964 2.539 ( -0.977 1.770 -1.056) 2.281 2.571 ( 2.562 0.488 1.243) 2.889 2.685 ( 5.964 -2.855 -3.738) 7.596 2.872 ( 0.305 4.515 2.080) 4.980 2.898 ( 1.172 -0.041 -2.771) 3.009 3.006 ( 2.115 -2.427 -2.979) 4.386 3.058 ( -2.321 7.130 -3.668) 8.348 3.228 ( -0.917 -4.034 -1.362) 4.356 3.311 ( 0.521 1.598 -5.840) 6.077 3.422 ( 3.574 9.183 -2.781) 10.239 3.550 ( -7.371 -0.367 2.544) 7.806 3.652 ( 0.892 -0.571 0.930) 1.409 3.778 ( 4.500 3.330 1.526) 5.802 3.858 ( 0.765 -0.772 0.489) 1.192 3.880 ( 4.155 -6.631 -2.651) 8.262 4.023 ( -0.068 1.303 -3.171) 3.429 4.067 ( -0.625 -4.442 -2.699) 5.235 4.102 ( 2.567 1.486 1.879) 3.511 4.184 ( -0.684 0.526 0.330) 0.924 4.259 ( -2.784 -5.233 4.633) 7.523 4.341 ( 2.798 0.305 0.024) 2.815 4.461 ( -0.290 0.328 3.148) 3.178 4.539 ( 1.246 -3.024 1.312) 3.524 4.611 ( -5.153 0.249 -2.545) 5.753 4.754 ( 0.876 0.297 0.995) 1.359 4.816 ( 2.952 -1.589 -0.231) 3.361 5.067 ( -1.609 3.731 1.796) 4.442 5.113 ( -1.073 6.416 -0.833) 6.558 5.378 ( -4.957 -3.398 -0.590) 6.039 5.496 ( 6.259 -3.213 5.110) 8.695 5.579 ( -2.054 -2.852 1.662) 3.887 5.673 ( -4.292 -5.642 -4.774) 8.547 5.802 ( 0.682 -3.019 2.113) 3.748 5.869 ( 3.533 -5.975 -0.035) 6.942 5.999 ( 0.934 -4.052 2.619) 4.914 6.109 ( -0.819 -4.822 -7.978) 9.358 6.141 ( 2.459 -5.201 1.095) 5.856 6.276 ( -4.673 -4.252 -9.237) 11.191 6.454 ( 8.120 1.092 7.312) 10.981 6.541 ( -0.443 0.522 4.527) 4.579 6.721 ( -1.885 1.176 -4.849) 5.333 6.843 ( 0.769 3.039 2.297) 3.886 6.882 ( -0.152 -1.799 -1.045) 2.086 6.915 ( -1.490 2.290 2.865) 3.959 7.002 ( 1.957 -2.313 -3.428) 4.575 7.033 ( -0.263 2.654 -3.546) 4.438 7.286 ( -0.903 -0.761 0.491) 1.278 7.323 ( -4.177 5.158 -0.233) 6.641 7.414 ( 0.265 -0.519 0.057) 0.585 7.479 ( 0.983 -0.844 -0.777) 1.511 7.538 ( -1.387 0.285 2.688) 3.038 7.705 ( -1.269 1.767 3.979) 4.535 7.769 ( 1.488 2.927 -1.768) 3.729 7.870 ( -1.576 -3.451 -0.930) 3.906 7.914 ( 1.148 2.045 -1.000) 2.550 7.959 ( 1.020 -4.075 -0.592) 4.242 8.057 ( -2.174 0.204 -0.387) 2.218 8.099 ( -2.919 -1.043 -1.515) 3.450 8.152 ( 1.508 0.167 1.953) 2.473 8.221 ( 0.871 -0.666 0.961) 1.458 8.257 ( 2.897 1.272 -0.343) 3.183 8.393 ( 1.327 -1.089 -2.868) 3.342 8.478 ( -0.770 0.104 -0.644) 1.009 8.543 ( 1.207 0.397 2.334) 2.658 8.586 ( -1.320 -1.909 1.085) 2.562 8.690 ( 0.311 -0.158 -3.596) 3.613 8.974 ( 0.565 1.471 2.800) 3.213 8.999 ( -0.774 3.214 1.657) 3.698 9.202 ( -0.147 -1.519 -0.364) 1.569 9.241 ( -0.648 -1.080 -1.601) 2.037 12.809 ( -0.346 12.437 0.098) 12.442 12.915 ( 5.350 12.579 -0.497) 13.679 14.006 ( -3.662 -6.469 1.396) 7.563 14.257 ( 1.799 -15.007 -1.398) 15.179 17.024 ( -2.143 0.251 0.255) 2.172 17.039 ( 0.454 0.363 1.776) 1.869 17.076 ( -2.650 -0.160 5.742) 6.326 17.145 ( -2.917 -0.396 3.729) 4.751 17.231 ( 2.894 -1.569 -1.400) 3.577 17.256 ( 3.483 -1.337 -1.504) 4.022 17.461 ( 0.271 1.593 -1.044) 1.924 17.544 ( -0.290 0.376 -3.222) 3.257 17.750 ( -0.642 -3.683 5.492) 6.644 17.761 ( -1.668 -0.888 1.159) 2.217 17.929 ( 0.472 -1.781 -1.357) 2.288 17.971 ( 2.384 0.971 -2.152) 3.355 18.022 ( 1.598 0.000 -4.599) 4.869 18.077 ( 0.362 -1.863 -2.466) 3.111 18.144 ( -0.396 -0.370 0.094) 0.551 18.182 ( 1.399 -1.327 0.758) 2.072 18.811 ( -1.906 -1.443 -0.310) 2.410 18.857 ( -2.588 0.512 -0.257) 2.650 18.932 ( 1.992 -1.316 1.092) 2.625 19.072 ( 5.861 -0.886 -2.324) 6.367 19.549 ( -3.592 1.600 -0.106) 3.934 19.651 ( 0.592 -3.362 2.084) 4.000 19.659 ( 0.491 -6.033 2.908) 6.716 19.864 ( 0.813 -2.048 -3.115) 3.815 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -10.179 17.569 -1.338) 20.349 1.152 ( -6.139 22.798 -5.135) 24.162 1.704 ( -9.465 13.361 10.721) 19.572 1.804 ( -8.650 7.678 -1.397) 11.650 1.952 ( 0.647 2.911 -1.133) 3.190 2.109 ( 3.794 -5.675 2.719) 7.348 2.215 ( -2.164 0.405 6.018) 6.409 2.320 ( -0.096 -1.645 1.118) 1.991 2.356 ( 1.660 8.339 0.123) 8.503 2.479 ( -3.512 8.090 1.466) 8.940 2.687 ( 10.366 8.337 2.177) 13.480 2.732 ( 7.995 1.870 2.545) 8.596 2.780 ( 2.189 4.072 -1.479) 4.854 2.876 ( 0.266 5.704 1.107) 5.816 2.914 ( 2.401 -3.240 -1.203) 4.208 2.978 ( -1.231 3.103 -1.246) 3.563 3.075 ( 1.232 -3.731 4.060) 5.650 3.180 ( -0.760 -1.788 -1.872) 2.698 3.254 ( 3.080 -0.519 -9.249) 9.762 3.382 ( -6.594 1.509 0.409) 6.777 3.471 ( 2.461 7.402 -0.543) 7.819 3.660 ( 0.181 -3.112 -4.495) 5.470 3.795 ( -1.658 1.417 -2.767) 3.523 3.860 ( -1.310 2.751 -0.401) 3.074 3.939 ( 2.918 -4.347 -0.238) 5.241 3.962 ( 0.225 -2.609 -4.003) 4.783 4.068 ( 2.093 -2.490 -0.509) 3.293 4.176 ( -1.125 -3.457 3.737) 5.213 4.197 ( 6.956 -1.690 -2.326) 7.527 4.274 ( -2.197 -2.962 2.221) 4.305 4.358 ( 0.478 0.134 0.695) 0.855 4.477 ( -3.138 0.101 -1.514) 3.485 4.525 ( 0.183 -1.555 0.626) 1.686 4.548 ( -1.256 -3.700 1.355) 4.136 4.812 ( 2.114 -0.288 2.118) 3.007 4.864 ( 1.323 -0.477 -0.238) 1.427 5.018 ( -1.536 5.449 -0.271) 5.667 5.119 ( -0.477 2.059 0.295) 2.134 5.295 ( -2.791 -4.784 1.864) 5.844 5.494 ( -3.469 -2.774 -0.368) 4.457 5.578 ( -0.773 -4.248 -0.934) 4.418 5.746 ( 7.557 -3.766 7.635) 11.384 5.808 ( 0.257 -3.789 -1.033) 3.936 5.915 ( -0.898 -8.770 -1.831) 9.004 5.997 ( -1.135 -7.150 -1.884) 7.481 6.009 ( -2.934 -2.938 -0.030) 4.152 6.149 ( 2.840 -2.367 1.859) 4.138 6.285 ( 4.073 -7.832 1.729) 8.996 6.579 ( -2.359 2.616 0.226) 3.529 6.606 ( 2.610 4.907 -0.317) 5.567 6.669 ( 3.047 -2.320 -2.977) 4.851 6.825 ( -2.879 6.038 -0.375) 6.700 6.871 ( -2.509 1.112 2.090) 3.449 6.906 ( -0.414 0.453 -0.228) 0.655 6.961 ( 2.600 2.544 -2.104) 4.202 7.041 ( 1.555 -1.745 -2.274) 3.261 7.234 ( -2.580 4.315 -2.217) 5.495 7.314 ( 1.372 -2.050 1.764) 3.032 7.404 ( -1.601 1.870 -0.244) 2.474 7.460 ( -2.574 -0.820 1.164) 2.942 7.554 ( 0.506 -0.540 1.980) 2.114 7.694 ( -2.441 2.629 2.488) 4.366 7.768 ( 0.589 2.373 -2.108) 3.228 7.852 ( -0.159 -4.581 0.669) 4.633 7.912 ( -0.278 2.634 -2.269) 3.488 7.962 ( -0.908 -3.698 0.571) 3.850 8.039 ( 1.436 -0.948 -0.708) 1.861 8.052 ( -0.611 -3.433 -0.813) 3.580 8.194 ( -0.020 -1.259 2.650) 2.933 8.247 ( 1.662 -0.006 -1.146) 2.019 8.301 ( 1.956 2.036 0.153) 2.828 8.382 ( -0.949 0.309 0.136) 1.008 8.456 ( 1.121 -1.556 -3.369) 3.877 8.553 ( -2.208 -0.726 -0.114) 2.327 8.603 ( -0.219 -1.261 4.535) 4.712 8.681 ( 2.168 0.641 -2.059) 3.058 8.959 ( -1.236 3.714 -1.203) 4.095 9.030 ( 0.125 1.716 1.119) 2.052 9.171 ( -0.974 -1.538 -0.536) 1.898 9.243 ( 0.432 -0.883 0.724) 1.221 12.800 ( -0.218 12.254 0.179) 12.257 13.047 ( 8.604 9.374 -2.941) 13.059 13.953 ( -2.904 -5.815 1.456) 6.661 14.223 ( -2.947 -13.623 -2.919) 14.240 16.997 ( -0.045 1.501 -0.731) 1.670 17.044 ( 0.839 2.438 -1.647) 3.059 17.086 ( -2.224 0.954 5.009) 5.563 17.114 ( -3.397 -0.211 4.350) 5.523 17.324 ( 3.512 1.887 0.303) 3.998 17.400 ( 5.144 -0.103 7.279) 8.914 17.424 ( -1.986 2.170 -1.917) 3.511 17.512 ( 1.650 0.386 -1.265) 2.115 17.663 ( -4.603 1.670 -4.820) 6.871 17.790 ( -1.886 -5.072 4.973) 7.349 17.896 ( 1.448 -2.891 -5.351) 6.252 17.959 ( 0.204 -3.217 -2.373) 4.003 18.069 ( 3.093 0.473 -0.684) 3.203 18.084 ( 1.889 -0.904 -0.712) 2.212 18.138 ( -0.123 -1.026 -0.386) 1.103 18.214 ( 0.963 -1.009 0.459) 1.468 18.783 ( -0.352 -0.033 -0.660) 0.749 18.809 ( -1.737 1.660 -0.061) 2.404 18.989 ( 1.143 -3.038 2.236) 3.942 19.151 ( 5.752 -2.130 -3.359) 6.994 19.470 ( -3.073 1.357 -0.468) 3.392 19.662 ( -2.303 -4.132 3.198) 5.710 19.682 ( -1.256 -5.224 0.945) 5.456 19.866 ( 1.949 -5.121 -1.639) 5.719 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 4.698 20.017 8.827) 22.375 1.619 ( -4.520 7.987 -4.831) 10.371 1.729 ( 10.195 20.967 -7.671) 24.544 1.989 ( 3.098 0.305 5.217) 6.076 2.051 ( 3.711 -3.654 0.918) 5.288 2.146 ( -7.515 8.898 2.198) 11.853 2.256 ( -4.964 7.029 7.087) 11.148 2.314 ( -2.830 -0.279 2.721) 3.935 2.432 ( -5.752 6.735 -0.473) 8.869 2.576 ( 2.059 0.263 0.528) 2.141 2.704 ( 0.113 -4.820 -0.314) 4.832 2.768 ( -4.586 -1.706 -2.941) 5.709 2.873 ( -5.544 0.004 -3.878) 6.766 2.894 ( -0.461 2.988 -0.889) 3.152 3.009 ( -1.187 5.370 0.266) 5.506 3.076 ( 3.156 -2.520 1.136) 4.196 3.151 ( 4.178 2.884 2.159) 5.517 3.232 ( -5.318 3.744 0.506) 6.523 3.294 ( 4.551 4.182 -3.894) 7.305 3.353 ( 8.112 4.383 -1.059) 9.281 3.460 ( 3.062 -3.921 -5.017) 7.065 3.625 ( -0.351 2.831 -2.557) 3.831 3.707 ( -3.174 -5.155 2.642) 6.605 3.868 ( 1.221 -2.657 0.412) 2.953 3.914 ( 1.588 -3.068 -0.061) 3.455 3.995 ( 1.014 1.549 1.263) 2.241 4.054 ( -3.338 -0.978 3.286) 4.785 4.086 ( -2.359 2.200 0.193) 3.232 4.161 ( -0.193 0.599 -2.400) 2.481 4.296 ( 2.243 -2.894 -2.769) 4.590 4.309 ( 0.836 -6.061 -1.200) 6.235 4.342 ( -7.032 -0.849 1.789) 7.306 4.470 ( 2.416 -2.901 0.228) 3.782 4.557 ( 0.827 3.514 -0.556) 3.653 4.793 ( -0.385 -4.397 0.138) 4.416 4.839 ( -0.080 -2.732 -0.702) 2.822 5.089 ( -3.109 3.428 -1.857) 4.986 5.122 ( 1.826 2.135 -1.081) 3.010 5.222 ( 0.791 -3.062 3.691) 4.861 5.418 ( 0.154 -5.712 -2.108) 6.091 5.493 ( 3.115 -4.671 3.874) 6.821 5.621 ( -4.577 -6.620 -1.255) 8.145 5.706 ( -0.745 -2.890 -0.821) 3.096 5.890 ( 2.012 -2.083 -2.313) 3.706 5.908 ( -0.259 -2.243 6.663) 7.035 5.998 ( 7.743 -4.292 10.075) 13.412 6.147 ( 1.461 -5.778 2.011) 6.290 6.201 ( 1.984 -6.707 9.383) 11.703 6.512 ( -6.511 1.056 -6.048) 8.949 6.607 ( -2.607 4.102 -8.317) 9.633 6.706 ( 2.593 -0.300 -4.118) 4.876 6.848 ( -2.459 0.967 -1.385) 2.983 6.907 ( -3.500 4.954 0.220) 6.070 6.925 ( -0.058 3.305 -0.698) 3.378 6.999 ( 2.732 -1.434 -3.961) 5.020 7.151 ( 5.927 3.398 -0.149) 6.833 7.198 ( -0.829 0.746 -2.243) 2.505 7.278 ( -2.723 -2.301 0.358) 3.583 7.404 ( -0.769 0.417 -1.853) 2.049 7.483 ( 1.558 1.941 0.623) 2.566 7.546 ( -1.589 -0.947 2.563) 3.161 7.695 ( -1.434 -0.991 2.132) 2.754 7.805 ( 0.738 0.244 -0.199) 0.803 7.826 ( 2.313 0.100 1.655) 2.846 7.857 ( 0.764 -0.603 -1.175) 1.526 7.964 ( 1.294 0.022 -0.241) 1.317 7.983 ( 0.651 -2.610 1.749) 3.208 8.068 ( -0.207 -0.539 2.886) 2.943 8.132 ( -3.164 -0.641 0.165) 3.233 8.290 ( 1.530 1.476 -2.349) 3.168 8.341 ( 1.193 -1.807 0.052) 2.166 8.365 ( -1.602 -0.267 -0.324) 1.656 8.447 ( 1.417 0.327 0.097) 1.457 8.501 ( -1.025 0.118 -0.149) 1.042 8.613 ( -1.494 0.700 2.048) 2.630 8.714 ( 1.533 -0.850 -0.197) 1.764 9.005 ( -0.421 3.065 -1.529) 3.452 9.036 ( -0.974 2.266 -2.829) 3.753 9.159 ( 0.867 -1.491 2.004) 2.645 9.221 ( -0.297 -1.808 -0.101) 1.835 13.084 ( 0.565 14.149 1.057) 14.200 13.239 ( -0.043 7.553 -3.015) 8.133 13.796 ( -0.348 -8.326 1.803) 8.526 13.929 ( 0.365 -12.152 -1.404) 12.238 17.032 ( -2.013 0.753 2.703) 3.453 17.072 ( -2.842 -0.595 4.875) 5.674 17.129 ( 1.846 3.302 -0.047) 3.783 17.173 ( 1.442 4.946 -0.673) 5.196 17.344 ( -3.597 1.103 -4.378) 5.773 17.395 ( -5.204 2.777 -3.025) 6.629 17.473 ( 3.053 -0.045 0.883) 3.178 17.564 ( -0.282 -0.776 -0.366) 0.903 17.660 ( 0.911 -2.216 2.141) 3.213 17.673 ( -2.752 -3.717 3.984) 6.104 17.834 ( 3.044 -2.202 0.871) 3.857 17.914 ( 5.246 -0.611 -5.494) 7.621 18.088 ( 1.559 -0.113 -1.630) 2.259 18.104 ( -0.053 -0.831 -1.242) 1.495 18.125 ( -0.679 0.830 0.129) 1.080 18.195 ( -0.430 -1.163 -1.137) 1.683 18.798 ( 0.448 0.450 0.386) 0.743 18.825 ( -0.146 1.695 0.106) 1.705 18.931 ( -1.477 -3.165 0.965) 3.624 19.095 ( 1.691 -6.119 -2.323) 6.760 19.483 ( -3.370 -2.236 1.404) 4.281 19.536 ( 2.145 -0.248 -0.021) 2.160 19.594 ( -1.880 -4.261 3.580) 5.875 19.775 ( 2.265 -4.231 -1.015) 4.906 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -4.355 3.116 -4.293) 6.863 1.613 ( 10.441 16.811 9.437) 21.925 1.871 ( -6.645 7.595 -12.747) 16.258 1.914 ( 9.695 17.196 -0.904) 19.762 1.988 ( -6.475 4.977 -0.180) 8.169 2.129 ( -1.890 -0.030 4.070) 4.488 2.200 ( -6.108 5.987 0.982) 8.609 2.310 ( -0.181 0.756 7.831) 7.869 2.480 ( -0.363 2.071 9.068) 9.308 2.556 ( -5.810 -5.525 -3.723) 8.840 2.667 ( 1.184 -4.675 0.336) 4.835 2.716 ( 1.179 0.866 1.127) 1.847 2.748 ( -2.738 2.960 0.609) 4.078 2.846 ( -9.733 8.514 3.213) 13.325 2.903 ( -4.340 -1.105 0.990) 4.586 3.060 ( 1.646 -4.097 -3.078) 5.382 3.176 ( -0.630 4.555 1.622) 4.876 3.292 ( 4.918 8.329 0.675) 9.696 3.342 ( 5.808 -1.598 -8.057) 10.060 3.427 ( -0.478 1.372 -4.300) 4.539 3.521 ( 2.464 7.137 -7.258) 10.473 3.605 ( 9.580 -2.821 -1.607) 10.115 3.752 ( -2.156 -6.887 8.046) 10.808 3.835 ( -4.987 -0.727 -0.171) 5.042 3.932 ( -0.231 2.911 -0.783) 3.024 3.990 ( -1.367 -2.024 -2.581) 3.553 4.005 ( -2.407 0.663 0.140) 2.500 4.051 ( 1.512 5.789 1.406) 6.146 4.208 ( 0.437 -3.667 4.705) 5.981 4.224 ( -3.452 -5.030 0.279) 6.107 4.293 ( -0.847 -4.989 0.662) 5.104 4.312 ( 0.584 -2.630 -3.029) 4.053 4.505 ( 0.535 -0.793 -1.542) 1.815 4.595 ( 3.649 2.005 -0.195) 4.168 4.765 ( -1.960 -3.166 -0.101) 3.725 4.844 ( 1.005 -1.786 0.332) 2.076 5.014 ( -2.167 2.904 -1.807) 4.050 5.181 ( 4.682 0.470 -0.490) 4.731 5.295 ( 2.729 -3.088 3.670) 5.518 5.356 ( -1.956 -6.033 -3.274) 7.137 5.550 ( -1.804 -2.732 -0.226) 3.282 5.630 ( 2.707 -9.262 4.349) 10.584 5.701 ( 0.307 -2.657 1.530) 3.081 5.866 ( -0.131 -2.954 -2.752) 4.039 5.938 ( -3.272 2.716 5.267) 6.770 6.166 ( -1.770 0.506 1.653) 2.474 6.286 ( 4.718 -4.670 11.965) 13.684 6.325 ( -1.548 -1.033 -3.666) 4.111 6.358 ( 1.917 -7.566 8.230) 11.342 6.451 ( -2.025 4.234 -9.443) 10.545 6.658 ( -1.219 -4.214 -7.650) 8.819 6.792 ( -1.594 0.820 -2.596) 3.155 6.823 ( -2.318 3.735 -3.421) 5.570 6.924 ( -0.733 0.225 1.437) 1.629 6.994 ( 0.028 -1.505 -3.549) 3.855 7.187 ( -0.338 3.664 1.364) 3.924 7.230 ( 2.583 -1.059 -2.046) 3.461 7.250 ( 1.947 1.530 0.168) 2.482 7.396 ( 1.578 -1.372 -1.286) 2.455 7.504 ( 0.275 -2.632 -2.780) 3.838 7.569 ( 0.723 3.283 5.213) 6.203 7.688 ( -1.790 0.602 2.250) 2.937 7.823 ( 2.113 0.702 -2.243) 3.160 7.833 ( -1.054 0.718 0.297) 1.309 7.905 ( 2.764 -0.406 0.058) 2.795 7.966 ( -2.026 -2.122 -0.264) 2.945 8.046 ( 1.823 -2.934 2.666) 4.363 8.070 ( 1.235 0.944 1.578) 2.215 8.111 ( 0.839 3.623 -0.411) 3.741 8.284 ( -0.353 0.841 -1.467) 1.727 8.309 ( -2.660 -1.139 -0.030) 2.894 8.383 ( 1.611 -1.811 0.673) 2.515 8.474 ( -0.508 2.153 -1.573) 2.714 8.486 ( 2.016 -1.049 0.688) 2.374 8.599 ( -2.114 0.225 2.153) 3.025 8.728 ( 0.051 -1.890 -0.362) 1.925 8.978 ( -0.720 3.255 -1.195) 3.542 9.006 ( 0.311 3.492 -1.651) 3.875 9.189 ( 0.015 -2.254 0.976) 2.456 9.214 ( 0.329 -2.404 -0.097) 2.429 13.095 ( -1.231 13.248 0.360) 13.310 13.193 ( -0.647 11.119 -1.794) 11.281 13.810 ( -0.249 -9.986 1.123) 10.052 13.945 ( 2.582 -11.187 -1.077) 11.531 17.003 ( -2.779 0.729 0.953) 3.027 17.065 ( -3.645 0.375 2.966) 4.714 17.086 ( -5.567 0.694 -0.070) 5.611 17.143 ( -3.034 0.349 2.899) 4.211 17.310 ( 0.987 3.585 -1.777) 4.121 17.354 ( 4.015 3.355 1.980) 5.594 17.483 ( -1.222 -0.061 -1.669) 2.069 17.555 ( -0.561 1.539 -0.958) 1.898 17.610 ( -4.097 -5.246 1.115) 6.749 17.658 ( -1.501 -5.215 -0.442) 5.445 17.940 ( 3.849 0.020 0.086) 3.850 17.975 ( 4.325 -0.018 -3.266) 5.419 18.045 ( -1.864 -0.486 -2.105) 2.853 18.092 ( -1.799 -0.966 -0.890) 2.227 18.128 ( 2.389 0.556 0.237) 2.464 18.189 ( 0.582 -0.796 -0.500) 1.106 18.792 ( -0.813 -0.390 0.359) 0.970 18.840 ( 0.359 0.029 0.486) 0.605 18.906 ( -1.060 -1.962 0.447) 2.275 19.084 ( -0.641 -5.169 -1.882) 5.538 19.411 ( -3.242 -3.701 -0.432) 4.939 19.555 ( -3.580 -6.748 2.082) 7.917 19.657 ( 6.166 3.301 2.093) 7.300 19.832 ( 3.888 -2.272 -0.755) 4.566 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.892 -0.281 -4.784) 5.152 1.721 ( 3.262 7.863 -7.574) 11.394 1.800 ( -3.161 9.529 -6.775) 12.111 1.885 ( 7.543 8.372 1.540) 11.374 2.009 ( -10.079 0.053 8.423) 13.136 2.096 ( -2.988 0.542 6.742) 7.395 2.123 ( -2.440 3.792 0.852) 4.589 2.251 ( -7.025 2.235 3.277) 8.068 2.488 ( 1.556 4.317 1.472) 4.819 2.571 ( -4.045 7.339 2.107) 8.641 2.642 ( -4.370 -0.826 -1.453) 4.679 2.667 ( -7.071 -0.923 1.751) 7.343 2.690 ( 1.227 -5.873 3.659) 7.027 2.833 ( 2.014 0.474 2.665) 3.374 3.038 ( 11.226 6.376 10.386) 16.570 3.112 ( 3.912 -0.383 -3.366) 5.175 3.161 ( 0.712 0.760 -1.570) 1.883 3.234 ( -6.737 0.993 -8.342) 10.769 3.349 ( 1.744 0.392 -5.734) 6.006 3.403 ( 2.954 3.892 -7.736) 9.150 3.487 ( -0.143 3.468 -2.422) 4.232 3.649 ( -1.624 0.060 -1.461) 2.186 3.766 ( 2.099 6.277 0.476) 6.636 3.853 ( -0.500 -2.500 9.695) 10.024 3.908 ( -1.230 2.461 -0.904) 2.896 3.929 ( -2.292 -0.996 -2.002) 3.202 3.981 ( -0.409 -1.029 0.863) 1.404 4.104 ( 0.431 4.502 2.966) 5.408 4.178 ( 0.593 -3.750 -0.304) 3.809 4.251 ( -1.854 -4.883 -1.962) 5.579 4.296 ( 0.567 -5.046 2.745) 5.772 4.311 ( 0.533 -3.083 4.120) 5.173 4.478 ( -0.009 2.429 -2.575) 3.540 4.661 ( 3.243 -1.108 -0.765) 3.511 4.736 ( -1.221 -2.489 0.324) 2.791 4.842 ( -0.548 -0.583 -3.048) 3.152 5.004 ( 0.078 1.969 4.009) 4.467 5.271 ( 4.716 0.661 -0.619) 4.802 5.317 ( 0.125 -3.452 -0.786) 3.543 5.391 ( 3.747 -3.451 2.219) 5.556 5.494 ( -1.629 -3.323 -3.572) 5.143 5.659 ( -0.395 -9.050 -0.059) 9.059 5.756 ( 0.635 -3.946 2.421) 4.673 5.821 ( -4.405 -4.123 0.713) 6.075 5.887 ( -1.397 4.311 -3.706) 5.854 6.107 ( -3.985 3.823 5.734) 7.961 6.228 ( -2.336 1.616 -9.490) 9.906 6.312 ( -1.085 -2.100 -2.494) 3.436 6.432 ( 0.819 -0.155 -0.722) 1.103 6.566 ( 3.885 -4.939 9.257) 11.188 6.624 ( 2.140 -6.905 3.350) 7.967 6.702 ( -1.356 -1.730 -7.327) 7.650 6.777 ( -1.383 1.380 1.351) 2.375 6.916 ( -1.743 -1.627 1.040) 2.601 6.956 ( 0.214 2.237 -1.055) 2.482 7.224 ( 1.408 3.070 2.224) 4.043 7.238 ( -0.135 -1.926 -1.220) 2.284 7.312 ( 4.343 1.493 -0.921) 4.684 7.405 ( 0.375 -1.464 -1.867) 2.402 7.487 ( 1.241 -2.177 -2.021) 3.219 7.621 ( -0.893 4.211 3.684) 5.666 7.673 ( -2.235 1.796 2.655) 3.907 7.805 ( 0.394 1.180 -2.417) 2.718 7.834 ( -0.476 -2.488 -0.460) 2.575 7.933 ( 0.906 -1.617 -1.210) 2.213 7.938 ( 1.263 -0.030 -0.631) 1.413 8.106 ( 2.396 -0.588 -0.127) 2.471 8.111 ( 0.906 1.563 -0.743) 1.953 8.143 ( 2.587 4.083 0.910) 4.919 8.243 ( -2.792 -0.862 0.022) 2.923 8.261 ( -2.838 1.552 1.153) 3.434 8.410 ( 0.671 -2.419 -1.264) 2.810 8.452 ( -0.009 2.538 -0.183) 2.545 8.529 ( 0.659 -1.523 0.608) 1.768 8.587 ( -0.065 -0.145 0.748) 0.765 8.708 ( -1.154 -2.827 -1.197) 3.280 8.966 ( 0.052 3.938 0.239) 3.945 9.013 ( 0.821 3.016 0.766) 3.218 9.180 ( -0.431 -2.060 -0.500) 2.163 9.229 ( 0.402 -2.970 0.241) 3.006 13.055 ( -1.589 12.415 -0.303) 12.520 13.187 ( 0.162 14.379 -0.509) 14.389 13.811 ( -0.180 -11.921 0.809) 11.950 13.986 ( 2.067 -10.197 -0.876) 10.441 16.956 ( -1.733 -0.439 -0.263) 1.807 16.985 ( -1.917 -0.962 -0.003) 2.145 17.066 ( -3.337 -1.310 5.380) 6.465 17.104 ( -3.928 -2.118 4.620) 6.424 17.357 ( 1.717 2.321 0.239) 2.897 17.411 ( -4.057 0.101 -2.842) 4.954 17.421 ( -2.171 1.161 3.284) 4.105 17.520 ( -1.358 -2.812 -2.800) 4.194 17.554 ( 3.304 -0.320 -0.612) 3.376 17.667 ( 1.855 -2.452 -0.494) 3.114 17.938 ( -0.744 0.193 -1.348) 1.552 17.993 ( -0.535 0.239 -1.015) 1.172 18.030 ( 1.776 -1.090 -1.257) 2.434 18.068 ( 0.838 -1.947 -2.181) 3.041 18.178 ( 1.386 1.699 0.822) 2.342 18.191 ( 0.198 0.896 -1.241) 1.543 18.786 ( -0.064 -1.550 0.331) 1.586 18.825 ( -2.217 -2.952 1.142) 3.864 18.924 ( 2.452 0.459 -0.441) 2.533 19.036 ( -2.356 -2.709 -1.546) 3.909 19.382 ( 0.180 -3.804 1.109) 3.967 19.502 ( -3.904 -6.723 3.109) 8.373 19.780 ( 4.232 3.483 0.159) 5.483 19.873 ( 1.905 -0.615 -2.772) 3.419 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 7.227 -3.877 -4.135) 9.184 1.611 ( -2.350 8.143 -11.628) 14.389 1.777 ( -3.725 -5.120 3.430) 7.201 1.944 ( 4.689 1.363 6.743) 8.326 2.023 ( 1.453 0.172 -0.547) 1.562 2.089 ( -1.101 4.307 6.744) 8.077 2.171 ( 3.735 5.398 6.541) 9.267 2.215 ( -4.781 6.712 3.340) 8.892 2.413 ( -5.475 9.705 -1.703) 11.272 2.548 ( 1.161 6.357 2.667) 6.991 2.569 ( -0.031 -1.921 -0.200) 1.931 2.659 ( -1.029 1.755 0.170) 2.042 2.699 ( -1.805 -0.356 1.440) 2.337 2.883 ( -0.278 -2.854 1.461) 3.219 2.927 ( -11.757 6.113 -7.760) 15.356 3.098 ( -0.134 1.198 -3.473) 3.676 3.149 ( 1.009 -6.488 -5.506) 8.569 3.266 ( -0.022 -0.551 -7.527) 7.547 3.384 ( 5.631 4.110 1.493) 7.130 3.397 ( 6.532 0.860 -1.529) 6.764 3.503 ( 3.815 6.205 2.398) 7.669 3.670 ( -0.356 0.342 3.264) 3.301 3.759 ( -1.150 3.569 -2.983) 4.792 3.848 ( 0.265 0.154 -3.233) 3.248 3.912 ( -4.220 -0.843 7.264) 8.443 3.965 ( 0.561 -0.091 -0.802) 0.983 3.978 ( 4.027 3.651 4.178) 6.856 4.107 ( -2.034 1.601 4.172) 4.910 4.200 ( -2.980 -3.680 1.880) 5.095 4.255 ( 5.009 0.923 0.923) 5.176 4.295 ( -1.838 -1.906 0.115) 2.651 4.373 ( -1.096 -6.608 6.166) 9.104 4.479 ( 2.250 3.376 -1.535) 4.337 4.696 ( -2.380 -2.790 -2.084) 4.218 4.704 ( 1.948 -2.526 -0.491) 3.227 4.786 ( -0.769 -0.541 -3.942) 4.053 5.067 ( 0.631 2.335 6.237) 6.689 5.303 ( -0.462 2.907 -2.326) 3.752 5.337 ( 1.173 -1.425 0.925) 2.064 5.405 ( -3.294 -3.242 -1.049) 4.740 5.490 ( 3.656 -4.576 -0.400) 5.871 5.630 ( -2.785 -9.001 -2.156) 9.666 5.711 ( -0.246 -2.031 -2.085) 2.921 5.783 ( -0.980 -2.712 0.681) 2.963 5.879 ( 0.978 -2.179 1.288) 2.714 6.059 ( -0.790 1.076 -6.033) 6.179 6.127 ( -1.914 -5.245 -8.431) 10.112 6.308 ( 3.182 4.860 6.092) 8.418 6.384 ( -3.197 -3.219 -8.610) 9.732 6.572 ( -1.864 2.293 2.160) 3.661 6.714 ( 1.786 -5.769 8.897) 10.753 6.756 ( 1.976 -3.362 -1.005) 4.027 6.799 ( 1.851 1.100 4.693) 5.163 6.913 ( 0.912 -0.065 1.960) 2.162 6.973 ( 1.096 2.129 0.209) 2.404 7.183 ( -2.631 1.869 -2.604) 4.147 7.268 ( -0.685 -2.527 2.202) 3.421 7.366 ( 2.180 2.130 -2.677) 4.056 7.406 ( 2.629 -2.090 0.048) 3.359 7.489 ( 0.631 -0.618 -3.244) 3.362 7.605 ( -3.887 4.757 3.533) 7.086 7.671 ( -0.534 0.985 3.162) 3.354 7.798 ( 0.877 -0.357 -1.775) 2.012 7.832 ( 0.282 -1.702 0.347) 1.760 7.934 ( 0.386 -0.137 -2.849) 2.878 7.947 ( 0.191 -0.190 -0.708) 0.758 8.104 ( -0.739 0.506 -2.233) 2.406 8.115 ( 0.221 0.071 -1.145) 1.168 8.184 ( -0.725 1.032 0.269) 1.290 8.214 ( -0.015 2.086 1.693) 2.687 8.237 ( -0.063 1.686 1.182) 2.060 8.381 ( -0.126 -1.646 -3.708) 4.059 8.479 ( 0.746 0.545 2.455) 2.623 8.523 ( -0.861 -0.144 0.410) 0.965 8.592 ( -0.519 -0.413 -0.855) 1.082 8.679 ( 0.324 -2.885 -1.813) 3.423 8.982 ( 0.524 3.385 1.637) 3.796 9.043 ( 0.526 2.622 2.038) 3.363 9.171 ( 0.053 -1.812 -0.532) 1.889 9.227 ( -0.394 -2.701 -0.554) 2.785 13.052 ( 0.797 12.703 1.108) 12.777 13.172 ( -0.396 14.643 -1.793) 14.757 13.827 ( 0.125 -12.207 2.091) 12.385 13.992 ( 0.097 -10.829 -1.907) 10.996 16.964 ( 1.745 -1.275 2.313) 3.165 16.995 ( 1.306 -1.827 2.535) 3.387 17.055 ( -3.299 -1.332 5.026) 6.158 17.094 ( -2.087 -2.375 4.923) 5.851 17.281 ( -3.639 0.212 -4.532) 5.816 17.289 ( -3.034 0.198 -5.013) 5.863 17.457 ( 1.982 0.096 -1.273) 2.358 17.493 ( 2.581 -3.337 -2.957) 5.152 17.661 ( 2.622 0.101 5.279) 5.895 17.691 ( -0.557 -1.026 2.493) 2.753 17.942 ( 1.992 0.633 0.184) 2.099 17.977 ( -0.666 1.179 0.396) 1.411 18.044 ( 1.547 -0.760 -3.263) 3.690 18.064 ( 1.240 -1.613 -2.717) 3.394 18.167 ( -0.748 1.358 -1.651) 2.265 18.184 ( -0.669 1.709 -0.756) 1.984 18.794 ( -1.671 -3.022 1.140) 3.637 18.802 ( 0.858 -2.290 0.610) 2.521 18.970 ( -0.910 -0.390 -1.049) 1.442 18.977 ( 1.750 -0.687 -1.344) 2.311 19.435 ( 2.462 -4.348 3.612) 6.166 19.486 ( -2.266 -6.159 5.591) 8.621 19.775 ( -2.336 3.375 -4.444) 6.050 19.869 ( 1.149 -0.285 -3.707) 3.891 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -1.071 15.440 -9.573) 18.199 1.577 ( 3.546 -5.735 0.963) 6.811 1.792 ( 4.023 -10.658 1.790) 11.532 1.855 ( -10.293 13.490 -6.289) 18.096 2.085 ( -4.976 5.299 3.145) 7.920 2.164 ( 1.705 1.974 7.115) 7.578 2.252 ( -0.408 -2.085 -0.299) 2.145 2.332 ( 12.463 0.673 4.288) 13.197 2.404 ( 3.693 4.920 2.398) 6.603 2.544 ( -5.175 11.126 5.027) 13.261 2.575 ( 0.278 5.337 -4.253) 6.830 2.639 ( 1.345 0.469 3.810) 4.067 2.725 ( 2.326 10.796 7.572) 13.391 2.805 ( 3.045 -5.210 -0.446) 6.051 2.874 ( 1.007 -0.468 -0.306) 1.152 3.046 ( -1.779 1.202 -3.578) 4.173 3.130 ( 1.076 -3.649 -3.437) 5.127 3.209 ( 3.587 -4.159 -8.175) 9.849 3.360 ( -2.169 10.253 -2.558) 10.788 3.508 ( 1.762 -4.690 -1.336) 5.185 3.613 ( -5.877 2.390 3.598) 7.293 3.634 ( 1.794 8.652 -5.021) 10.163 3.701 ( 4.231 -7.344 -3.614) 9.214 3.874 ( 1.421 -2.436 -0.309) 2.837 3.911 ( -2.365 5.658 7.244) 9.492 3.960 ( -0.436 0.200 -0.772) 0.909 4.098 ( 4.364 2.156 0.922) 4.954 4.114 ( -4.485 -2.829 3.183) 6.185 4.146 ( -3.422 1.803 2.353) 4.527 4.246 ( -2.345 0.239 2.266) 3.270 4.331 ( 0.551 -1.558 1.193) 2.038 4.411 ( 0.537 -5.788 4.355) 7.263 4.518 ( 2.361 2.318 -0.459) 3.341 4.602 ( -5.046 -0.807 -3.018) 5.935 4.730 ( 1.818 -2.858 -0.377) 3.408 4.772 ( 2.957 -2.323 -2.228) 4.371 5.133 ( -0.248 2.882 5.046) 5.816 5.229 ( -3.467 4.353 -2.825) 6.241 5.297 ( -5.026 -3.913 -0.458) 6.387 5.416 ( 3.084 -4.574 4.131) 6.892 5.516 ( -3.721 -4.051 -3.324) 6.427 5.540 ( 0.869 -5.693 -1.309) 5.906 5.731 ( 0.774 -2.736 2.577) 3.838 5.779 ( 1.283 -2.259 -2.312) 3.477 5.921 ( 0.137 -3.810 0.019) 3.813 5.981 ( 0.713 -5.885 -5.304) 7.955 6.073 ( 2.942 -2.740 -3.047) 5.044 6.161 ( -5.737 -5.866 -11.473) 14.105 6.496 ( 3.443 3.939 10.859) 12.054 6.614 ( 2.627 4.202 3.340) 5.976 6.727 ( -0.868 -0.392 -2.747) 2.908 6.822 ( 2.576 -3.765 3.283) 5.621 6.900 ( 2.378 1.621 4.190) 5.083 6.959 ( 2.366 0.566 -1.694) 2.964 6.980 ( -1.478 2.887 1.709) 3.666 7.105 ( -2.043 3.257 -3.022) 4.890 7.245 ( -1.448 -2.278 0.111) 2.702 7.387 ( -0.746 -1.160 1.130) 1.783 7.418 ( 0.049 1.185 -4.038) 4.209 7.485 ( 3.282 0.503 -2.300) 4.039 7.563 ( -4.455 3.288 4.429) 7.090 7.707 ( -0.431 -0.815 4.136) 4.238 7.787 ( -0.695 -1.676 -1.825) 2.574 7.838 ( 0.381 -0.622 -0.605) 0.948 7.887 ( -1.036 -1.064 -3.111) 3.447 7.942 ( 0.342 0.033 -0.851) 0.918 8.049 ( -2.511 -0.171 -1.143) 2.764 8.080 ( -2.688 -0.856 -1.473) 3.182 8.175 ( -0.966 1.797 2.201) 3.001 8.232 ( 1.953 1.821 -0.208) 2.678 8.288 ( 2.539 1.204 0.830) 2.930 8.356 ( 1.111 -2.361 -2.489) 3.606 8.479 ( -1.475 0.018 -0.245) 1.495 8.533 ( -1.230 -1.793 1.969) 2.934 8.574 ( 0.680 1.209 0.887) 1.646 8.678 ( 1.479 -0.983 -2.506) 3.071 9.011 ( 0.425 2.110 1.841) 2.832 9.064 ( 0.205 2.964 0.812) 3.080 9.165 ( -0.790 -2.074 -0.288) 2.238 9.213 ( 0.061 -1.605 -0.496) 1.681 13.084 ( 0.335 13.965 0.573) 13.981 13.162 ( 2.287 11.892 -1.305) 12.180 13.835 ( -1.808 -10.237 1.560) 10.512 13.970 ( -0.137 -13.174 -1.519) 13.262 17.031 ( -1.187 0.238 1.798) 2.168 17.050 ( 1.002 0.161 4.794) 4.900 17.066 ( 0.629 -0.021 4.808) 4.849 17.127 ( -0.723 -1.035 4.702) 4.869 17.217 ( 3.315 -0.051 -3.932) 5.143 17.243 ( 4.540 -0.272 -3.096) 5.502 17.461 ( 1.918 -1.633 -3.424) 4.250 17.516 ( 2.097 -2.520 -3.730) 4.965 17.697 ( -2.866 -1.078 5.541) 6.331 17.724 ( -1.786 -1.636 5.143) 5.685 17.939 ( -2.689 1.980 -3.399) 4.765 17.997 ( 1.902 1.096 -1.811) 2.846 18.037 ( 2.620 1.135 -3.782) 4.739 18.051 ( 1.555 -0.769 -3.082) 3.536 18.137 ( -1.445 0.098 -0.085) 1.451 18.178 ( 0.976 0.250 0.566) 1.156 18.774 ( -0.750 -1.732 0.328) 1.915 18.838 ( 1.065 -2.183 1.331) 2.770 18.920 ( -1.281 0.210 -0.515) 1.397 19.029 ( 3.564 -2.809 -1.743) 4.861 19.510 ( -1.322 -4.399 6.370) 7.853 19.529 ( 1.336 -5.804 4.563) 7.503 19.654 ( -3.974 2.812 -5.000) 6.979 19.826 ( -0.924 -1.855 -4.762) 5.194 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -4.236 19.279 -1.092) 19.769 1.616 ( 4.723 19.494 -9.259) 22.092 1.737 ( -0.020 2.050 4.657) 5.088 1.912 ( 3.252 -4.179 0.580) 5.327 1.960 ( -0.072 0.322 -4.819) 4.830 2.206 ( -0.592 -2.536 -0.035) 2.604 2.272 ( 0.363 -0.287 5.396) 5.415 2.333 ( -12.013 20.556 9.870) 25.774 2.504 ( 2.286 5.547 0.584) 6.028 2.583 ( -0.859 -4.347 2.819) 5.252 2.681 ( 2.564 0.041 2.113) 3.323 2.754 ( 4.617 -0.441 3.023) 5.536 2.840 ( 11.607 -1.145 0.974) 11.704 2.910 ( 1.704 3.696 3.258) 5.213 2.968 ( 3.543 2.974 0.477) 4.650 2.997 ( 6.220 -2.826 -6.342) 9.322 3.058 ( -5.084 1.232 -0.739) 5.283 3.235 ( 5.657 4.169 -5.934) 9.198 3.296 ( -3.008 9.982 2.231) 10.661 3.445 ( -8.627 1.659 -3.170) 9.340 3.478 ( 0.081 -6.381 -5.413) 8.368 3.623 ( 0.744 2.978 -1.383) 3.366 3.771 ( -0.049 -9.363 -0.261) 9.366 3.852 ( -0.335 2.008 -0.517) 2.101 3.918 ( -2.330 -1.052 0.192) 2.564 3.976 ( 0.712 2.148 0.344) 2.289 4.021 ( -1.734 0.954 4.029) 4.489 4.131 ( -1.620 1.422 0.851) 2.317 4.175 ( 2.752 -1.340 -1.791) 3.546 4.260 ( 0.338 0.569 2.995) 3.067 4.320 ( -1.093 -5.057 -0.536) 5.201 4.448 ( -0.724 -4.544 2.079) 5.049 4.462 ( -5.456 -0.137 -2.187) 5.879 4.550 ( 1.212 3.174 -0.867) 3.506 4.771 ( 2.108 -4.015 0.232) 4.541 4.824 ( 2.424 -3.237 0.065) 4.045 5.140 ( -1.928 6.041 -0.514) 6.362 5.151 ( -2.331 0.972 -0.222) 2.536 5.212 ( -3.241 -2.835 1.658) 4.614 5.416 ( -1.478 -4.395 -2.024) 5.059 5.475 ( -0.054 -5.555 -0.836) 5.618 5.644 ( 5.355 -7.329 7.751) 11.936 5.741 ( -1.086 -3.490 -2.749) 4.573 5.786 ( 0.763 -0.641 0.391) 1.071 5.859 ( -0.891 -6.062 -2.049) 6.460 5.962 ( -1.729 -1.962 -3.132) 4.080 6.072 ( 2.074 -4.879 5.063) 7.331 6.120 ( 2.472 -7.455 -0.481) 7.869 6.617 ( 0.550 2.092 5.336) 5.758 6.660 ( -1.851 0.515 -3.366) 3.876 6.705 ( 2.829 4.017 -3.139) 5.830 6.878 ( 1.990 -0.086 -1.056) 2.254 6.936 ( -3.463 2.514 3.056) 5.258 6.957 ( -0.862 2.278 -1.157) 2.697 6.969 ( 2.791 2.519 -1.990) 4.254 7.073 ( 2.224 4.095 -2.076) 5.101 7.241 ( -0.320 -2.685 -0.223) 2.714 7.320 ( -2.515 1.328 -1.990) 3.471 7.417 ( 0.654 -0.061 -0.891) 1.107 7.495 ( -0.970 2.325 -1.138) 2.764 7.544 ( -1.878 0.259 3.933) 4.366 7.711 ( -2.819 -1.315 3.043) 4.352 7.766 ( 1.174 -2.874 -0.214) 3.112 7.823 ( -0.431 2.555 -1.811) 3.161 7.861 ( 0.488 -4.446 -1.734) 4.797 7.945 ( 0.999 -0.235 -0.898) 1.364 7.999 ( -2.512 -1.409 0.024) 2.880 8.039 ( -0.376 0.354 1.855) 1.925 8.173 ( -1.894 -0.247 1.895) 2.691 8.270 ( 2.309 1.800 -1.124) 3.136 8.322 ( 1.406 -0.318 -1.160) 1.850 8.374 ( 0.749 -0.654 1.071) 1.461 8.445 ( -0.483 0.248 -1.923) 1.998 8.516 ( -1.637 -2.147 1.652) 3.165 8.609 ( 0.090 1.340 2.023) 2.428 8.686 ( 1.912 -0.165 -1.730) 2.584 9.022 ( -0.201 2.356 -0.331) 2.388 9.072 ( 0.111 2.141 -0.929) 2.336 9.140 ( -0.923 -1.353 0.502) 1.713 9.220 ( 0.285 -1.395 0.283) 1.451 13.076 ( -0.278 14.341 -0.243) 14.345 13.223 ( 3.656 8.451 -1.009) 9.263 13.804 ( -1.934 -8.618 0.926) 8.881 13.950 ( -0.891 -13.335 -0.935) 13.397 17.029 ( -0.568 1.156 1.749) 2.172 17.077 ( -2.883 -0.762 5.697) 6.431 17.104 ( 1.578 2.539 -0.980) 3.146 17.134 ( 1.558 3.325 -1.058) 3.821 17.352 ( 6.636 0.201 3.339) 7.431 17.400 ( 8.609 -0.275 5.259) 10.092 17.447 ( -0.760 -0.447 -3.828) 3.929 17.500 ( 0.877 -1.857 -3.337) 3.918 17.683 ( -3.529 -0.662 -0.158) 3.594 17.699 ( -4.146 -2.246 4.886) 6.791 17.841 ( -2.365 -0.609 -2.468) 3.472 17.936 ( 0.157 -0.206 -7.858) 7.862 18.067 ( 2.388 -0.373 -2.393) 3.401 18.091 ( 2.501 0.279 -0.331) 2.538 18.124 ( -0.177 0.483 0.571) 0.768 18.204 ( 0.403 -0.309 0.429) 0.665 18.778 ( 0.795 -0.126 0.159) 0.821 18.841 ( -1.193 1.211 0.267) 1.721 18.927 ( 0.616 -2.703 1.267) 3.048 19.071 ( 3.019 -4.818 -2.354) 6.154 19.511 ( -2.441 0.886 0.578) 2.660 19.548 ( -2.132 -4.192 2.213) 5.198 19.594 ( -1.412 -3.903 2.589) 4.892 19.772 ( 0.079 -3.969 -2.893) 4.912 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 2.996 14.821 6.075) 16.295 1.788 ( -8.335 9.723 0.751) 12.829 1.925 ( 5.243 -2.330 5.035) 7.634 1.983 ( 0.780 -3.557 3.951) 5.373 2.100 ( 1.152 -4.495 2.324) 5.189 2.162 ( 1.872 -9.465 2.103) 9.875 2.221 ( 9.310 18.263 -11.355) 23.434 2.427 ( -6.432 8.754 0.384) 10.870 2.529 ( -2.881 -9.751 -8.269) 13.106 2.571 ( -0.834 0.996 -2.394) 2.724 2.692 ( -2.920 -0.193 -3.013) 4.200 2.720 ( -1.511 -6.368 -6.107) 8.951 2.838 ( -0.432 7.385 5.762) 9.377 2.927 ( 1.603 2.374 0.599) 2.926 3.026 ( -1.695 -0.491 3.304) 3.746 3.095 ( 2.995 -0.944 1.061) 3.314 3.176 ( -3.259 -1.045 -0.007) 3.423 3.187 ( -1.784 -4.207 4.977) 6.757 3.407 ( 2.189 3.357 -4.415) 5.963 3.449 ( 2.154 2.517 -7.424) 8.130 3.544 ( 2.419 8.660 2.848) 9.432 3.636 ( -1.924 2.447 4.093) 5.142 3.707 ( -0.604 8.241 2.629) 8.671 3.761 ( -0.082 -9.338 3.953) 10.141 3.798 ( 1.203 -6.095 2.078) 6.551 3.980 ( -0.970 -10.596 0.150) 10.641 4.055 ( 0.124 4.446 0.136) 4.450 4.108 ( -1.269 -1.365 -1.850) 2.626 4.188 ( -0.646 1.325 -2.533) 2.930 4.225 ( -2.119 -0.341 -4.168) 4.688 4.249 ( 0.281 1.904 1.055) 2.195 4.332 ( -3.085 -3.088 0.168) 4.369 4.495 ( -0.204 6.093 0.363) 6.107 4.638 ( 1.142 -0.867 -1.898) 2.379 4.673 ( 0.845 -1.977 0.302) 2.171 4.760 ( 1.385 -4.627 -0.850) 4.904 5.118 ( 0.363 1.184 -0.257) 1.265 5.158 ( 0.250 -2.117 1.166) 2.430 5.239 ( -1.750 5.771 -2.983) 6.728 5.325 ( -1.558 -3.040 -3.669) 5.013 5.409 ( 2.988 -1.992 1.840) 4.035 5.471 ( -0.391 -7.031 -0.221) 7.045 5.715 ( -0.903 2.722 0.503) 2.911 5.793 ( 1.679 -4.701 0.629) 5.031 5.939 ( 1.948 2.245 8.521) 9.025 5.956 ( 6.014 -0.243 7.874) 9.910 6.045 ( 1.546 -2.790 4.297) 5.352 6.080 ( 0.765 -4.974 9.548) 10.793 6.552 ( -5.093 2.707 -6.934) 9.020 6.611 ( -2.607 -2.641 -6.195) 7.221 6.768 ( -0.502 5.146 -6.449) 8.266 6.848 ( -1.790 -1.779 -2.411) 3.490 6.937 ( -1.383 0.674 0.518) 1.623 6.958 ( 1.464 -1.833 -3.897) 4.549 7.057 ( -1.604 6.434 -2.323) 7.026 7.165 ( 0.200 -3.609 -1.800) 4.038 7.223 ( 3.826 2.268 -0.560) 4.483 7.250 ( -0.707 -0.488 -1.859) 2.048 7.414 ( -0.870 1.162 -2.758) 3.116 7.460 ( 0.383 -2.854 -2.302) 3.687 7.584 ( -0.850 3.365 4.470) 5.659 7.651 ( -0.594 -2.985 3.545) 4.672 7.801 ( 1.807 0.526 2.255) 2.937 7.821 ( 2.695 -1.109 0.326) 2.933 7.890 ( 1.344 2.985 0.460) 3.306 7.942 ( -0.168 -1.905 1.643) 2.521 7.963 ( -0.172 0.661 1.295) 1.464 8.011 ( -2.284 -3.520 3.581) 5.517 8.188 ( 0.399 4.501 -0.554) 4.552 8.278 ( 1.337 -3.870 -0.577) 4.135 8.322 ( -0.111 1.429 -2.524) 2.903 8.349 ( -1.283 -1.161 -1.276) 2.150 8.468 ( 0.013 1.301 1.835) 2.249 8.492 ( -0.347 -0.922 2.026) 2.253 8.646 ( -0.401 2.151 -0.040) 2.188 8.688 ( 0.639 -1.727 -0.444) 1.895 9.053 ( -0.223 1.692 -0.830) 1.898 9.070 ( 0.425 0.405 -1.763) 1.858 9.145 ( -0.258 0.665 0.443) 0.840 9.180 ( -0.415 -2.140 -0.639) 2.272 13.375 ( 0.789 13.991 0.036) 14.014 13.408 ( -0.147 8.854 -0.690) 8.882 13.610 ( -0.675 -9.408 1.211) 9.510 13.667 ( 0.516 -13.243 -0.250) 13.256 17.042 ( -2.564 0.509 4.208) 4.954 17.056 ( -2.648 -0.806 4.856) 5.590 17.220 ( 1.674 5.174 -2.413) 5.949 17.285 ( 0.830 5.764 -1.877) 6.119 17.319 ( -0.251 -3.685 -4.173) 5.573 17.388 ( -1.099 -3.540 -2.886) 4.698 17.476 ( 0.949 1.155 0.847) 1.718 17.519 ( 0.681 -2.887 0.349) 2.987 17.625 ( -4.736 -0.055 3.677) 5.996 17.635 ( -3.785 -0.930 3.336) 5.130 17.849 ( 5.846 2.284 -2.153) 6.635 17.892 ( 5.358 -1.649 -4.272) 7.048 18.087 ( 2.236 0.080 -1.909) 2.941 18.092 ( 1.023 -0.411 -1.212) 1.639 18.146 ( -1.865 1.204 -0.550) 2.287 18.171 ( -1.387 -1.194 -1.237) 2.209 18.814 ( -0.738 1.183 0.946) 1.685 18.842 ( -1.349 -0.928 1.065) 1.954 18.902 ( 0.361 1.571 -0.743) 1.775 18.977 ( 1.144 -5.081 -1.483) 5.415 19.434 ( -4.435 -0.488 3.221) 5.503 19.474 ( -3.247 -4.033 3.514) 6.257 19.617 ( 3.651 3.857 -0.431) 5.328 19.697 ( 3.469 -3.768 -1.105) 5.239 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -9.708 10.804 2.245) 14.697 1.845 ( -6.584 -6.165 5.649) 10.643 1.966 ( 3.541 7.144 6.309) 10.167 2.009 ( -0.565 2.346 -0.216) 2.423 2.102 ( -3.845 5.662 -5.454) 8.752 2.154 ( -3.638 0.195 -3.377) 4.967 2.255 ( -2.820 -1.753 -2.255) 4.013 2.349 ( 0.308 -6.700 2.072) 7.020 2.476 ( 1.336 8.104 -1.796) 8.407 2.527 ( -2.321 -0.081 -4.701) 5.243 2.533 ( 5.288 1.082 -0.130) 5.399 2.745 ( 2.290 -2.348 -0.513) 3.320 2.826 ( -5.790 -2.823 -4.246) 7.715 2.884 ( -0.063 -5.418 -5.159) 7.482 2.993 ( -4.151 13.066 8.290) 16.021 3.076 ( -1.812 8.268 5.200) 9.933 3.200 ( -1.703 -2.826 4.667) 5.715 3.292 ( 2.051 -6.961 8.580) 11.238 3.380 ( 2.673 0.103 -7.803) 8.248 3.400 ( 0.478 -2.423 -7.164) 7.578 3.640 ( 3.137 4.198 1.438) 5.435 3.645 ( -1.609 0.319 5.856) 6.082 3.704 ( 0.407 10.795 -4.258) 11.612 3.812 ( 2.135 -0.713 1.707) 2.825 3.919 ( 6.035 -5.305 2.406) 8.388 3.974 ( 1.115 -6.679 -5.068) 8.458 4.034 ( -3.574 1.649 0.834) 4.024 4.077 ( -0.434 -0.929 4.574) 4.688 4.134 ( -1.907 -0.663 -2.105) 2.917 4.166 ( 1.451 -0.486 -3.448) 3.773 4.236 ( -3.290 1.379 2.376) 4.286 4.272 ( -2.628 -2.183 -0.251) 3.425 4.505 ( 0.663 3.200 -0.447) 3.298 4.626 ( -0.369 -5.417 -1.891) 5.749 4.707 ( 2.122 3.048 -0.125) 3.716 4.790 ( 2.263 -3.563 -0.523) 4.253 5.105 ( -1.418 5.203 -1.846) 5.700 5.182 ( 2.674 -1.051 0.129) 2.876 5.244 ( 1.549 -1.638 0.042) 2.255 5.266 ( 0.858 -2.343 -1.056) 2.709 5.456 ( -0.274 -3.418 -1.217) 3.639 5.474 ( 1.682 -5.169 0.527) 5.461 5.721 ( 0.256 2.863 0.843) 2.995 5.791 ( -0.727 -3.759 -1.320) 4.050 6.041 ( -1.183 6.304 8.922) 10.989 6.174 ( 3.563 -1.449 9.760) 10.490 6.179 ( 2.211 -3.868 9.931) 10.884 6.229 ( 6.399 -4.313 9.582) 12.303 6.359 ( -4.771 3.762 -7.764) 9.858 6.450 ( -4.152 -4.144 -9.286) 10.983 6.668 ( -1.646 4.902 -10.230) 11.463 6.769 ( -1.427 -3.672 -8.679) 9.531 6.875 ( -4.325 1.519 -0.227) 4.590 6.905 ( -2.789 -1.544 0.137) 3.190 7.032 ( -0.096 4.852 -0.157) 4.856 7.141 ( -0.820 -5.060 0.046) 5.126 7.273 ( 2.816 2.755 0.244) 3.947 7.292 ( 3.258 1.065 -1.408) 3.705 7.386 ( 1.316 0.801 -2.508) 2.944 7.436 ( 0.038 -3.475 -2.350) 4.195 7.640 ( 1.487 3.191 4.234) 5.507 7.686 ( 0.217 -1.056 3.072) 3.256 7.818 ( -0.580 0.452 0.275) 0.785 7.841 ( -1.126 -1.109 -1.853) 2.436 7.904 ( 1.168 0.308 0.130) 1.215 7.923 ( -2.462 -1.797 0.338) 3.067 8.035 ( 4.822 1.898 2.697) 5.842 8.074 ( 3.735 -0.973 3.410) 5.150 8.204 ( 0.854 4.666 0.130) 4.745 8.274 ( -1.974 -2.007 -1.236) 3.074 8.292 ( -0.042 0.282 -2.258) 2.276 8.330 ( 0.986 -3.083 0.177) 3.241 8.482 ( -0.046 0.757 1.484) 1.666 8.497 ( -0.818 -0.223 1.303) 1.554 8.629 ( -1.381 2.500 0.010) 2.856 8.683 ( -0.675 -2.515 -0.639) 2.682 9.043 ( 0.172 2.879 -0.717) 2.972 9.065 ( 0.759 1.647 -1.643) 2.447 9.145 ( -0.439 -1.404 0.640) 1.605 9.163 ( -0.309 -2.392 -0.575) 2.479 13.348 ( -2.248 11.581 -0.978) 11.838 13.437 ( 2.541 12.261 0.223) 12.523 13.590 ( -1.918 -10.701 0.381) 10.878 13.706 ( 2.868 -12.316 0.505) 12.656 17.025 ( -3.173 1.296 2.661) 4.340 17.051 ( -3.056 -1.165 4.629) 5.668 17.115 ( -8.269 1.566 -2.845) 8.884 17.140 ( -6.784 -0.720 -0.544) 6.843 17.375 ( 1.624 2.649 -0.019) 3.107 17.406 ( 3.130 0.652 3.363) 4.640 17.473 ( -0.030 0.545 -2.461) 2.521 17.525 ( -1.084 -3.507 0.979) 3.799 17.570 ( -1.610 0.250 -0.795) 1.813 17.584 ( -1.768 -1.674 -0.957) 2.616 17.955 ( 4.541 1.071 -1.740) 4.980 17.972 ( 4.875 -0.488 -2.789) 5.637 18.046 ( -2.632 0.682 -2.810) 3.910 18.069 ( -2.445 -1.302 -2.246) 3.566 18.147 ( 2.752 1.138 0.735) 3.067 18.170 ( 1.955 -1.048 0.304) 2.239 18.788 ( -2.312 0.247 1.009) 2.535 18.810 ( -2.777 -1.901 1.125) 3.548 18.916 ( 1.602 2.305 -0.662) 2.884 18.985 ( 0.785 -4.285 -1.118) 4.497 19.375 ( -3.889 0.513 1.742) 4.292 19.432 ( -4.107 -4.796 2.544) 6.807 19.726 ( 6.636 3.219 0.422) 7.387 19.785 ( 5.648 -2.548 -0.595) 6.225 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -6.912 7.987 1.286) 10.641 1.687 ( -11.353 -11.271 3.144) 16.303 1.929 ( -4.680 2.078 -4.120) 6.573 1.947 ( -1.337 5.609 -3.923) 6.974 2.022 ( -2.676 -1.044 -3.795) 4.760 2.103 ( -3.099 -1.726 3.967) 5.321 2.230 ( 5.886 9.940 2.025) 11.728 2.389 ( -0.750 2.412 -0.239) 2.537 2.483 ( -2.823 -3.291 -0.515) 4.366 2.561 ( 5.093 -4.834 1.990) 7.299 2.590 ( 2.570 5.396 -0.761) 6.025 2.672 ( -2.283 -0.871 -4.975) 5.542 2.801 ( 1.892 2.710 3.789) 5.028 2.913 ( -0.362 0.665 1.596) 1.766 2.955 ( -1.733 2.668 0.782) 3.276 3.120 ( -2.632 -1.927 2.899) 4.364 3.253 ( -0.602 5.176 6.263) 8.148 3.273 ( 0.272 2.808 -7.045) 7.589 3.322 ( -0.133 -2.842 -7.280) 7.816 3.407 ( 0.606 -4.722 2.391) 5.327 3.599 ( -3.434 5.098 0.008) 6.147 3.655 ( -3.439 -2.188 3.531) 5.393 3.726 ( 3.480 3.101 0.994) 4.766 3.865 ( 2.042 -4.691 -1.943) 5.473 3.931 ( 3.538 3.805 -4.230) 6.700 4.022 ( 1.425 1.905 -0.700) 2.480 4.029 ( 0.478 4.682 0.994) 4.810 4.117 ( 1.602 0.448 -0.238) 1.681 4.147 ( 0.085 -3.669 2.714) 4.565 4.170 ( -0.243 -4.904 5.439) 7.327 4.202 ( -2.212 2.551 3.575) 4.918 4.248 ( -1.370 -2.752 4.391) 5.360 4.509 ( 1.282 1.541 -1.335) 2.409 4.598 ( -0.364 -5.652 -1.746) 5.927 4.728 ( 1.152 3.182 -2.447) 4.176 4.805 ( 0.601 -3.217 -3.130) 4.529 5.092 ( 0.763 6.338 1.455) 6.548 5.226 ( 1.880 -5.608 0.400) 5.929 5.288 ( 3.238 1.017 0.751) 3.476 5.330 ( 3.426 -2.935 0.557) 4.546 5.430 ( -0.294 -0.528 -2.066) 2.152 5.492 ( 0.592 -6.178 -0.878) 6.268 5.722 ( -1.200 0.347 0.745) 1.454 5.754 ( -2.309 -2.434 0.818) 3.453 6.005 ( -3.768 6.601 -8.354) 11.295 6.141 ( -3.722 -5.885 -8.337) 10.862 6.230 ( -2.284 6.160 4.715) 8.086 6.338 ( 1.554 -0.537 3.100) 3.509 6.429 ( 2.348 -0.467 0.914) 2.563 6.439 ( 1.318 -4.458 7.320) 8.672 6.573 ( 2.551 1.440 0.538) 2.978 6.640 ( -0.932 -3.903 -6.423) 7.573 6.817 ( -2.798 2.281 2.287) 4.273 6.869 ( -2.783 -2.725 3.154) 5.011 7.032 ( 0.237 5.006 -0.030) 5.012 7.141 ( -0.180 -5.225 0.683) 5.273 7.304 ( 0.416 2.300 -0.577) 2.408 7.325 ( 2.329 -0.104 -1.131) 2.591 7.399 ( 2.004 0.993 -2.925) 3.682 7.438 ( 1.997 -2.455 -1.443) 3.478 7.696 ( -0.487 2.852 2.817) 4.038 7.712 ( -0.155 1.510 2.513) 2.935 7.787 ( -1.236 -1.225 -1.700) 2.432 7.799 ( -0.824 -1.897 -0.018) 2.068 7.916 ( 2.085 0.187 -2.047) 2.928 7.929 ( 1.868 -0.807 -1.437) 2.491 8.134 ( 2.930 2.788 0.905) 4.145 8.149 ( 0.747 1.830 1.338) 2.386 8.204 ( -0.075 0.040 -2.501) 2.503 8.219 ( -1.861 -1.170 0.606) 2.280 8.285 ( -0.063 2.082 0.523) 2.148 8.349 ( 0.129 -3.252 0.063) 3.255 8.495 ( -0.242 1.070 0.941) 1.446 8.506 ( 0.904 -0.584 1.210) 1.619 8.599 ( -1.181 1.660 -0.321) 2.063 8.649 ( -1.717 -2.840 -1.240) 3.543 9.045 ( 0.502 3.544 -0.214) 3.586 9.070 ( 1.063 2.068 -0.502) 2.378 9.137 ( -0.599 -1.673 0.318) 1.806 9.163 ( 0.018 -3.203 0.460) 3.236 13.305 ( -1.232 12.118 -0.115) 12.181 13.474 ( 1.401 11.878 -1.091) 12.010 13.566 ( -1.047 -10.175 1.134) 10.292 13.757 ( 1.814 -12.357 -0.490) 12.499 16.957 ( -4.197 0.446 0.298) 4.231 16.970 ( -3.920 -0.634 0.212) 3.977 17.046 ( -3.272 -0.337 4.718) 5.751 17.060 ( -3.934 -1.702 4.992) 6.580 17.391 ( -2.213 1.001 -0.770) 2.548 17.405 ( -3.812 -0.513 -1.494) 4.127 17.446 ( -0.536 1.306 -0.998) 1.729 17.472 ( -0.855 -1.398 -3.111) 3.516 17.580 ( 4.078 1.844 0.947) 4.575 17.622 ( 3.046 -2.128 0.876) 3.818 17.950 ( -1.046 1.153 -1.070) 1.889 17.980 ( -1.452 -1.418 -0.211) 2.040 18.024 ( 2.703 0.312 -3.090) 4.118 18.037 ( 2.019 -1.021 -3.337) 4.032 18.205 ( 1.521 0.783 0.537) 1.793 18.208 ( 1.184 0.502 0.012) 1.286 18.760 ( -1.569 -0.536 1.182) 2.036 18.773 ( -2.201 -1.798 1.335) 3.141 18.941 ( 1.607 1.329 -0.738) 2.212 18.981 ( -0.137 -2.515 -0.991) 2.707 19.342 ( -1.668 0.133 2.878) 3.329 19.388 ( -3.225 -4.191 3.605) 6.400 19.834 ( 4.513 1.878 -1.785) 5.204 19.860 ( 3.456 -0.796 -2.909) 4.587 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 1.196 1.958 -0.006) 2.294 1.544 ( -5.334 -10.054 3.050) 11.783 1.804 ( 0.613 7.095 -8.866) 11.372 1.923 ( 2.663 -4.578 -3.470) 6.331 2.088 ( 4.865 5.055 6.381) 9.484 2.136 ( 0.130 0.146 6.616) 6.619 2.236 ( -2.171 3.844 0.345) 4.429 2.362 ( -2.637 -6.550 -2.450) 7.474 2.445 ( 1.869 10.270 -1.108) 10.497 2.581 ( -1.907 -0.863 -3.998) 4.513 2.678 ( 4.235 1.866 2.158) 5.106 2.718 ( 5.970 0.381 3.552) 6.957 2.810 ( -4.775 12.583 2.969) 13.782 2.853 ( -2.268 0.860 -2.345) 3.373 2.947 ( 1.974 -8.956 -5.333) 10.609 3.053 ( -6.015 -6.752 -0.448) 9.054 3.076 ( -6.165 6.662 -3.557) 9.749 3.191 ( -2.610 -4.108 -7.196) 8.687 3.430 ( 4.768 2.002 1.027) 5.272 3.447 ( 3.799 0.557 -0.350) 3.855 3.604 ( -0.395 2.199 4.329) 4.871 3.658 ( -1.480 -2.911 6.009) 6.839 3.814 ( 4.819 1.651 -1.607) 5.341 3.837 ( 0.443 2.599 -4.367) 5.102 3.946 ( -2.838 4.981 2.460) 6.239 4.007 ( 0.925 0.424 -1.356) 1.696 4.070 ( 1.456 0.268 1.048) 1.814 4.128 ( -0.624 -1.691 2.055) 2.733 4.158 ( -1.680 2.273 4.361) 5.197 4.223 ( -2.393 -4.661 7.251) 8.946 4.245 ( -1.481 -0.067 6.711) 6.872 4.283 ( 0.427 -0.024 4.402) 4.422 4.538 ( 2.383 0.946 -0.892) 2.715 4.591 ( 1.680 -5.197 -1.302) 5.615 4.703 ( 0.103 2.317 -4.412) 4.984 4.761 ( -0.179 -2.214 -5.262) 5.711 5.139 ( 0.710 4.888 3.928) 6.311 5.252 ( -0.309 -5.229 1.003) 5.333 5.332 ( -0.117 0.007 1.186) 1.192 5.366 ( -1.478 -2.982 -0.666) 3.394 5.422 ( 1.980 0.834 -1.253) 2.487 5.484 ( -0.144 -5.068 -2.130) 5.499 5.709 ( 0.428 1.393 0.068) 1.459 5.741 ( 0.067 -1.593 1.535) 2.213 5.874 ( -0.605 2.357 -5.851) 6.337 5.971 ( -1.858 -6.282 -11.681) 13.393 6.168 ( -3.176 5.319 -8.527) 10.540 6.278 ( -4.151 -5.042 -11.198) 12.964 6.444 ( 1.502 6.209 10.196) 12.032 6.575 ( 0.830 -6.238 11.137) 12.791 6.641 ( 2.320 2.732 2.881) 4.598 6.699 ( 2.417 -2.723 0.944) 3.761 6.833 ( 1.238 2.342 5.127) 5.771 6.886 ( 1.065 -2.358 4.705) 5.370 7.044 ( 0.471 4.361 0.950) 4.489 7.136 ( -0.667 -4.361 0.194) 4.416 7.291 ( -1.231 2.786 -0.683) 3.122 7.346 ( 0.104 -2.588 -0.856) 2.728 7.410 ( 3.156 1.599 -3.026) 4.655 7.453 ( 1.492 -2.411 -2.515) 3.790 7.688 ( -1.735 3.015 1.271) 3.703 7.715 ( -2.370 1.961 2.625) 4.044 7.767 ( 0.287 -0.857 -1.197) 1.499 7.800 ( -0.364 -2.400 0.963) 2.611 7.929 ( 1.322 0.408 -2.738) 3.067 7.942 ( 1.155 -0.562 -1.874) 2.272 8.128 ( -1.532 1.188 -2.117) 2.871 8.136 ( -2.307 1.199 -2.276) 3.455 8.191 ( 0.906 1.169 1.299) 1.968 8.236 ( 1.690 -1.461 1.004) 2.449 8.281 ( -0.860 2.637 0.265) 2.786 8.330 ( -0.874 -2.565 -1.872) 3.294 8.503 ( -1.117 1.403 1.560) 2.377 8.522 ( -0.602 -0.264 1.295) 1.452 8.588 ( 0.120 0.454 -0.857) 0.978 8.621 ( 1.335 -2.529 -1.116) 3.070 9.054 ( 0.290 3.415 0.219) 3.434 9.092 ( 1.207 1.407 0.013) 1.854 9.133 ( -0.554 -1.276 0.897) 1.656 9.167 ( -0.068 -2.970 0.509) 3.014 13.308 ( 0.768 12.402 1.461) 12.511 13.465 ( -0.314 12.385 -2.637) 12.666 13.575 ( 0.126 -10.704 2.391) 10.968 13.754 ( -0.567 -12.628 -2.260) 12.841 16.949 ( 1.666 -0.048 3.600) 3.967 16.964 ( 1.672 -1.305 3.159) 3.805 17.035 ( -2.834 -0.217 4.809) 5.586 17.050 ( -2.819 -1.593 5.418) 6.312 17.292 ( -2.592 0.555 -5.320) 5.944 17.296 ( -2.448 0.189 -5.634) 6.146 17.444 ( 1.536 -0.096 -4.550) 4.804 17.458 ( 2.434 -1.128 -3.264) 4.224 17.666 ( 1.014 0.620 4.407) 4.564 17.680 ( -0.049 -0.565 4.460) 4.496 17.960 ( 1.859 1.129 1.523) 2.656 17.982 ( 0.660 -0.683 1.867) 2.095 18.037 ( 2.034 -0.043 -3.587) 4.124 18.041 ( 1.994 -0.548 -3.486) 4.053 18.197 ( -1.106 1.210 -1.638) 2.318 18.207 ( -1.073 0.363 -1.177) 1.634 18.751 ( -1.018 -0.886 1.427) 1.965 18.760 ( -0.183 -1.570 1.149) 1.954 18.960 ( 0.497 -0.336 -0.894) 1.077 18.962 ( 0.100 -0.552 -1.118) 1.250 19.372 ( 0.384 -1.222 5.235) 5.390 19.392 ( -1.526 -2.968 6.105) 6.957 19.830 ( -0.890 2.032 -5.653) 6.073 19.859 ( 0.525 -0.887 -5.053) 5.157 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 6.101 -0.569 2.562) 6.642 1.575 ( 5.546 -7.686 2.019) 9.691 1.751 ( 2.644 14.007 -8.853) 16.779 1.962 ( 2.685 -4.077 -4.198) 6.438 2.169 ( -0.421 0.580 2.862) 2.950 2.205 ( 3.146 -2.076 -0.268) 3.779 2.260 ( -2.757 3.988 3.181) 5.798 2.327 ( 0.302 1.245 4.089) 4.285 2.469 ( 1.732 5.793 -1.037) 6.135 2.566 ( 5.262 -1.689 3.240) 6.406 2.638 ( -4.292 3.540 -6.966) 8.915 2.786 ( 5.534 3.782 -1.530) 6.875 2.831 ( 1.001 2.631 1.271) 3.089 2.848 ( -0.578 -9.310 -5.356) 10.756 2.947 ( 1.251 4.067 6.249) 7.561 2.969 ( -1.934 7.770 2.524) 8.395 3.049 ( 4.067 -4.697 -0.312) 6.221 3.131 ( 1.090 -2.289 0.159) 2.541 3.435 ( -1.573 0.209 -1.998) 2.551 3.496 ( 2.348 -3.372 -3.905) 5.668 3.600 ( -2.479 0.502 -0.681) 2.619 3.664 ( -2.027 -2.807 -0.249) 3.471 3.770 ( -1.842 10.357 -2.803) 10.886 3.893 ( -2.618 3.710 1.599) 4.814 3.946 ( 4.220 -0.183 2.390) 4.853 3.991 ( -4.258 -2.498 1.664) 5.210 4.069 ( -2.971 1.121 1.220) 3.402 4.144 ( 1.178 -0.929 -1.423) 2.067 4.183 ( -0.843 -0.285 7.178) 7.233 4.216 ( -4.739 -3.616 6.127) 8.548 4.264 ( -1.424 2.393 4.232) 5.066 4.337 ( -0.013 -3.026 3.515) 4.638 4.557 ( -0.364 1.872 0.073) 1.909 4.630 ( 2.980 -1.027 -1.753) 3.606 4.652 ( -0.269 0.259 -3.948) 3.966 4.723 ( 2.034 -2.894 -4.384) 5.633 5.187 ( -0.336 2.355 3.664) 4.368 5.232 ( -3.272 -2.389 0.672) 4.107 5.284 ( -3.431 1.593 -1.456) 4.054 5.330 ( -0.387 -3.371 2.672) 4.319 5.433 ( -0.716 -1.618 -3.263) 3.711 5.459 ( 0.892 -3.360 -1.219) 3.684 5.724 ( 1.105 1.778 -0.853) 2.260 5.758 ( 0.218 -0.825 -3.415) 3.520 5.861 ( 0.550 -1.056 -2.002) 2.329 5.890 ( 1.963 -3.205 1.404) 4.013 6.032 ( -1.368 -0.604 -7.286) 7.437 6.063 ( -5.248 -3.441 -10.651) 12.362 6.597 ( 1.262 5.432 10.739) 12.101 6.670 ( 2.410 0.700 2.263) 3.379 6.708 ( -0.131 -1.297 0.271) 1.332 6.735 ( 4.139 -3.865 3.955) 6.907 6.934 ( 3.048 1.884 3.010) 4.680 6.962 ( 2.442 -0.503 0.462) 2.535 7.063 ( -0.339 4.227 2.532) 4.939 7.132 ( 0.478 -1.752 0.275) 1.837 7.239 ( -2.543 2.925 -1.778) 4.264 7.324 ( -0.831 -4.297 -1.194) 4.537 7.440 ( 2.195 1.158 -2.976) 3.875 7.469 ( 2.948 -1.524 -1.922) 3.835 7.644 ( -4.633 3.478 2.619) 6.358 7.694 ( -3.001 -1.105 2.842) 4.279 7.754 ( -0.413 -0.180 -1.811) 1.867 7.789 ( -0.660 -2.835 -0.791) 3.016 7.911 ( -0.279 1.844 -2.123) 2.826 7.937 ( 0.205 -0.558 -1.149) 1.294 8.054 ( -3.731 0.403 -1.134) 3.921 8.065 ( -2.929 -0.658 -1.378) 3.303 8.221 ( -0.098 2.838 0.851) 2.965 8.267 ( 1.076 0.315 -0.855) 1.410 8.300 ( 2.626 -0.233 1.278) 2.929 8.304 ( 0.679 -1.683 -1.159) 2.154 8.482 ( -1.785 0.355 0.576) 1.908 8.499 ( -2.302 -1.334 0.959) 2.828 8.610 ( 1.974 2.066 0.319) 2.875 8.651 ( 2.109 -1.724 -1.091) 2.934 9.059 ( -0.014 2.470 0.284) 2.486 9.103 ( 0.484 -0.875 -1.466) 1.774 9.135 ( -0.552 0.946 1.807) 2.113 9.175 ( 0.412 -2.087 0.507) 2.187 13.354 ( 1.684 12.131 2.096) 12.425 13.418 ( -1.049 12.938 -3.161) 13.360 13.607 ( 0.016 -11.158 2.648) 11.468 13.705 ( -1.427 -13.096 -2.521) 13.413 17.032 ( -1.676 0.093 4.146) 4.473 17.040 ( -1.546 -0.587 5.359) 5.608 17.087 ( 6.796 1.334 5.546) 8.872 17.109 ( 5.177 -0.840 5.724) 7.764 17.221 ( 1.698 0.404 -6.263) 6.502 17.234 ( 2.807 -0.692 -5.298) 6.035 17.434 ( 2.278 -0.137 -4.706) 5.230 17.461 ( 1.993 -2.473 -4.718) 5.687 17.693 ( -2.694 0.429 4.935) 5.639 17.705 ( -2.646 -0.601 5.268) 5.926 17.980 ( -1.777 1.770 -3.092) 3.981 18.005 ( -0.140 -0.492 -2.332) 2.388 18.047 ( 2.588 0.325 -2.407) 3.549 18.052 ( 2.896 0.108 -2.026) 3.536 18.153 ( -1.423 1.258 -0.370) 1.935 18.175 ( -0.232 -0.657 0.234) 0.735 18.757 ( 0.425 0.301 1.210) 1.317 18.787 ( 1.368 -2.404 1.674) 3.233 18.935 ( -0.870 1.233 -0.878) 1.746 18.973 ( 1.045 -2.447 -1.186) 2.913 19.436 ( -1.255 -1.947 7.248) 7.609 19.443 ( 0.047 -2.473 6.366) 6.829 19.720 ( -3.243 3.277 -6.566) 8.023 19.781 ( -2.064 -2.596 -6.200) 7.031 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 3.268 7.970 1.824) 8.805 1.736 ( 7.297 -0.328 4.389) 8.521 1.782 ( 6.910 4.125 1.290) 8.150 1.948 ( -0.620 1.888 -1.174) 2.308 2.102 ( -3.487 -1.576 -2.774) 4.726 2.179 ( 2.650 16.467 -7.774) 18.402 2.227 ( -4.110 -6.514 -0.205) 7.705 2.453 ( 4.762 -5.540 1.954) 7.563 2.517 ( 3.998 -0.092 -0.245) 4.007 2.607 ( 3.125 1.690 -2.133) 4.144 2.717 ( 5.314 -4.696 -1.416) 7.232 2.752 ( -2.396 -9.875 -2.966) 10.585 2.814 ( -4.702 12.597 8.052) 15.673 2.871 ( 3.417 5.286 0.834) 6.349 3.014 ( 4.117 0.054 -0.641) 4.167 3.052 ( -1.725 -2.480 0.164) 3.025 3.100 ( 3.262 5.375 6.467) 9.019 3.235 ( 3.305 -5.546 2.321) 6.860 3.365 ( -0.178 4.124 -3.537) 5.436 3.495 ( 2.670 -2.722 -6.218) 7.294 3.542 ( -2.505 3.852 -0.693) 4.647 3.613 ( -1.049 -2.706 0.871) 3.030 3.705 ( -3.496 11.706 2.486) 12.467 3.825 ( -4.954 -3.638 -0.397) 6.159 3.853 ( -8.718 -3.394 1.885) 9.543 4.013 ( -2.298 -11.273 2.320) 11.737 4.051 ( 1.275 6.526 -1.523) 6.822 4.139 ( -0.378 -1.526 -1.295) 2.037 4.192 ( -0.390 4.164 2.229) 4.739 4.229 ( -0.157 1.350 1.757) 2.221 4.277 ( -0.792 -0.277 0.464) 0.958 4.354 ( -0.424 -5.265 1.599) 5.519 4.521 ( -2.217 5.508 -0.490) 5.958 4.631 ( 1.650 2.551 -2.535) 3.957 4.661 ( 0.942 -4.285 -0.516) 4.417 4.741 ( 2.080 -4.713 -1.386) 5.334 5.151 ( -3.045 0.009 -1.071) 3.228 5.167 ( -2.740 -1.463 0.844) 3.219 5.283 ( 0.754 6.669 1.825) 6.955 5.358 ( -1.582 -0.195 -3.426) 3.779 5.375 ( 0.999 -3.574 0.152) 3.714 5.472 ( 0.843 -8.424 -0.034) 8.466 5.714 ( 0.346 0.510 -0.758) 0.976 5.754 ( 0.872 -3.369 1.365) 3.738 5.836 ( -1.166 4.090 0.658) 4.304 5.924 ( -0.871 -2.779 -3.396) 4.474 5.979 ( 1.450 -2.655 6.157) 6.860 6.001 ( 1.279 -3.838 0.264) 4.054 6.655 ( -0.329 1.204 1.401) 1.876 6.666 ( -2.146 0.017 -2.345) 3.178 6.781 ( 3.610 3.617 0.831) 5.177 6.849 ( 2.963 -2.723 2.696) 4.844 6.950 ( 0.676 0.739 -4.468) 4.579 6.966 ( -1.252 -0.220 -0.634) 1.421 7.083 ( 0.428 5.239 0.075) 5.257 7.167 ( 2.081 -0.441 -0.645) 2.223 7.191 ( -0.094 2.771 -1.243) 3.039 7.293 ( -0.905 -3.943 -2.023) 4.523 7.439 ( 1.147 2.112 -3.091) 3.915 7.485 ( 0.039 -2.018 -2.190) 2.978 7.591 ( -3.996 3.028 4.085) 6.468 7.656 ( -3.538 -3.351 3.312) 5.892 7.740 ( 1.452 0.505 -0.357) 1.578 7.781 ( 1.294 -3.172 -0.768) 3.511 7.883 ( -0.363 3.174 -1.544) 3.548 7.935 ( 0.513 -1.346 -0.536) 1.537 7.987 ( -3.251 0.664 1.265) 3.551 8.022 ( -2.484 -2.017 3.393) 4.664 8.205 ( -1.084 3.093 -0.595) 3.331 8.270 ( 0.840 -2.540 -1.822) 3.237 8.327 ( 1.449 1.602 -0.610) 2.244 8.358 ( 1.166 -1.131 0.957) 1.885 8.458 ( -0.703 0.871 0.345) 1.171 8.480 ( -0.923 -1.379 1.788) 2.439 8.642 ( 0.819 1.744 0.223) 1.940 8.673 ( 1.454 -1.135 -0.943) 2.072 9.059 ( 0.016 1.534 -0.182) 1.545 9.087 ( -0.251 -0.979 -1.656) 1.940 9.143 ( -0.136 1.904 0.832) 2.082 9.185 ( 0.152 -1.956 0.061) 1.963 13.372 ( -0.181 14.149 -1.333) 14.213 13.404 ( 0.990 9.361 0.481) 9.426 13.612 ( -0.946 -9.632 0.811) 9.712 13.674 ( -0.498 -13.686 -0.249) 13.698 17.041 ( -1.933 0.381 4.447) 4.864 17.054 ( -2.422 -0.980 5.282) 5.893 17.184 ( 3.814 4.546 -3.099) 6.694 17.218 ( 4.902 3.532 -4.207) 7.362 17.320 ( 6.989 -2.368 3.681) 8.247 17.362 ( 7.615 -3.914 3.117) 9.111 17.432 ( 1.421 0.019 -3.010) 3.329 17.451 ( 2.671 -1.880 -2.873) 4.350 17.673 ( -4.453 0.363 4.547) 6.375 17.683 ( -4.745 -0.461 4.483) 6.544 17.873 ( -2.867 2.640 -5.977) 7.135 17.920 ( -1.521 -1.596 -6.985) 7.325 18.066 ( 2.357 0.273 -2.742) 3.626 18.078 ( 1.794 -0.835 -2.035) 2.839 18.158 ( 0.132 2.021 1.400) 2.462 18.191 ( -0.116 -1.071 0.988) 1.461 18.790 ( 1.490 1.469 1.135) 2.380 18.832 ( 1.027 -2.192 1.698) 2.957 18.912 ( -0.568 1.763 -0.739) 1.994 18.976 ( 0.724 -4.149 -1.466) 4.459 19.463 ( -3.138 -1.383 5.912) 6.834 19.483 ( -2.062 -3.111 5.039) 6.271 19.616 ( -1.192 3.780 -3.902) 5.563 19.695 ( -0.583 -3.784 -4.070) 5.587 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 11.217 0.000 24.221) 26.692 1.080 ( -12.141 0.000 26.533) 29.178 1.337 ( -9.365 0.000 -24.079) 25.836 1.434 ( 0.076 0.000 31.458) 31.458 1.590 ( 10.336 0.000 -24.294) 26.402 1.886 ( -3.382 0.000 -11.314) 11.809 2.171 ( -1.230 0.000 3.515) 3.724 2.249 ( 3.951 0.000 -4.028) 5.642 2.290 ( -0.139 0.000 -0.759) 0.771 2.290 ( -7.454 0.000 -4.659) 8.790 2.515 ( -8.293 0.000 5.961) 10.213 2.526 ( 0.467 0.000 9.979) 9.990 2.692 ( 9.696 0.000 -6.398) 11.617 2.775 ( 3.158 0.000 -12.003) 12.411 2.922 ( -2.530 0.000 4.642) 5.286 2.975 ( -2.504 0.000 3.428) 4.246 3.033 ( 1.752 0.000 -0.134) 1.757 3.141 ( 2.106 0.000 -6.858) 7.174 3.360 ( -0.217 0.000 0.280) 0.355 3.391 ( 1.932 0.000 0.072) 1.933 3.498 ( 2.574 0.000 6.877) 7.343 3.614 ( -2.054 0.000 -3.905) 4.412 3.765 ( -0.792 0.000 6.641) 6.689 3.871 ( 1.028 0.000 -2.715) 2.903 3.941 ( 6.397 0.000 0.042) 6.397 3.964 ( -4.722 0.000 0.071) 4.723 4.130 ( 2.357 0.000 -2.956) 3.781 4.150 ( -5.577 0.000 -3.262) 6.461 4.255 ( 4.787 0.000 3.067) 5.685 4.324 ( -0.071 0.000 -0.282) 0.291 4.377 ( 0.985 0.000 -1.631) 1.906 4.436 ( -0.389 0.000 -3.677) 3.698 4.569 ( -1.199 0.000 2.015) 2.345 4.578 ( -0.524 0.000 0.975) 1.107 4.759 ( -3.134 0.000 1.372) 3.421 4.775 ( 1.813 0.000 -0.584) 1.905 5.132 ( -3.684 0.000 5.155) 6.336 5.181 ( 4.409 0.000 2.588) 5.113 5.313 ( -0.330 0.000 1.869) 1.897 5.443 ( -2.475 0.000 -8.473) 8.827 5.802 ( -1.812 0.000 1.044) 2.092 5.854 ( -0.642 0.000 -4.367) 4.414 6.001 ( -3.779 0.000 1.347) 4.012 6.003 ( 3.547 0.000 0.928) 3.667 6.165 ( 1.782 0.000 1.206) 2.152 6.217 ( -0.159 0.000 -2.910) 2.914 6.378 ( -1.781 0.000 4.030) 4.406 6.436 ( 1.768 0.000 -2.200) 2.823 6.514 ( 5.837 0.000 7.334) 9.373 6.586 ( -1.822 0.000 0.272) 1.842 6.689 ( 2.507 0.000 -3.342) 4.178 6.690 ( -2.949 0.000 -3.112) 4.288 6.852 ( -0.725 0.000 -0.067) 0.728 6.867 ( 1.914 0.000 -1.654) 2.530 7.218 ( 1.398 0.000 3.562) 3.826 7.234 ( 0.521 0.000 0.982) 1.111 7.273 ( 0.013 0.000 1.236) 1.236 7.311 ( -0.138 0.000 -2.281) 2.285 7.486 ( 6.279 0.000 2.072) 6.612 7.523 ( -7.885 0.000 -0.740) 7.919 7.629 ( 0.284 0.000 0.527) 0.599 7.645 ( -0.293 0.000 -1.540) 1.567 7.681 ( -3.647 0.000 5.480) 6.583 7.766 ( 3.370 0.000 -2.948) 4.477 7.965 ( 1.760 0.000 -0.236) 1.776 7.972 ( -3.375 0.000 -1.109) 3.553 8.054 ( -0.744 0.000 1.379) 1.567 8.099 ( -0.113 0.000 -2.581) 2.583 8.218 ( 1.093 0.000 -0.090) 1.096 8.227 ( -0.565 0.000 -1.010) 1.157 8.342 ( 0.017 0.000 1.393) 1.393 8.348 ( 0.131 0.000 0.709) 0.721 8.438 ( -4.702 0.000 -0.633) 4.745 8.464 ( 4.140 0.000 -2.960) 5.090 8.728 ( -3.119 0.000 1.023) 3.283 8.741 ( 3.960 0.000 0.011) 3.960 8.837 ( 2.697 0.000 1.682) 3.178 8.872 ( -3.965 0.000 -2.205) 4.537 9.282 ( 1.854 0.000 1.845) 2.616 9.306 ( -1.249 0.000 -0.698) 1.430 12.509 ( -0.286 0.000 0.128) 0.314 12.512 ( 0.301 0.000 -0.200) 0.362 14.136 ( -1.849 0.000 6.042) 6.319 14.266 ( 2.680 0.000 -7.143) 7.629 16.987 ( 2.459 0.000 5.665) 6.175 17.086 ( 0.713 0.000 4.944) 4.995 17.097 ( -1.038 0.000 -3.060) 3.232 17.128 ( -3.584 0.000 3.389) 4.933 17.144 ( -4.328 0.000 3.834) 5.782 17.207 ( -3.502 0.000 -4.247) 5.505 17.254 ( 4.111 0.000 -6.233) 7.467 17.275 ( 2.793 0.000 -7.117) 7.645 17.909 ( 2.885 0.000 9.163) 9.607 17.932 ( -1.136 0.000 3.372) 3.558 17.993 ( 0.361 0.000 -3.083) 3.104 18.051 ( -2.432 0.000 -4.912) 5.481 18.156 ( 0.279 0.000 0.494) 0.568 18.160 ( 0.491 0.000 -0.107) 0.502 18.224 ( -0.363 0.000 2.579) 2.605 18.265 ( 0.541 0.000 -1.521) 1.615 18.725 ( -0.535 0.000 1.175) 1.291 18.753 ( 0.432 0.000 -1.715) 1.769 19.178 ( -3.595 0.000 4.305) 5.609 19.263 ( 8.064 0.000 -4.140) 9.065 19.486 ( -0.630 0.000 6.147) 6.179 19.638 ( -2.121 0.000 -8.873) 9.123 19.870 ( -0.780 0.000 5.371) 5.428 19.961 ( 0.804 0.000 -4.033) 4.113 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.080 0.000 -20.169) 20.169 1.210 ( -4.132 0.000 23.838) 24.194 1.236 ( 3.745 0.000 25.866) 26.136 1.580 ( 14.212 0.000 -23.282) 27.277 1.798 ( 9.219 0.000 -16.440) 18.848 1.905 ( 12.660 0.000 16.878) 21.098 2.093 ( -9.216 0.000 1.157) 9.288 2.191 ( -6.069 0.000 5.080) 7.914 2.217 ( -9.216 0.000 8.767) 12.720 2.315 ( 7.251 0.000 -2.671) 7.727 2.477 ( 4.501 0.000 2.733) 5.265 2.658 ( 3.777 0.000 4.914) 6.198 2.707 ( 2.309 0.000 -12.066) 12.285 2.730 ( 2.050 0.000 -2.512) 3.242 2.949 ( -3.390 0.000 0.546) 3.434 2.981 ( 2.765 0.000 3.792) 4.693 3.078 ( 0.308 0.000 1.289) 1.325 3.091 ( 0.298 0.000 -7.924) 7.930 3.368 ( 1.466 0.000 0.899) 1.719 3.376 ( -4.661 0.000 -2.746) 5.409 3.519 ( 0.673 0.000 -7.098) 7.130 3.581 ( -1.972 0.000 6.057) 6.370 3.790 ( -1.938 0.000 -3.992) 4.438 3.791 ( -3.263 0.000 2.438) 4.073 3.885 ( -2.236 0.000 -5.068) 5.539 4.028 ( -0.807 0.000 1.559) 1.755 4.064 ( 1.067 0.000 1.594) 1.918 4.206 ( 3.362 0.000 4.266) 5.431 4.242 ( -0.851 0.000 -4.667) 4.744 4.320 ( -2.663 0.000 -4.876) 5.556 4.377 ( 3.160 0.000 1.209) 3.383 4.414 ( 0.172 0.000 0.867) 0.884 4.561 ( -1.414 0.000 1.055) 1.764 4.571 ( -1.629 0.000 0.743) 1.790 4.755 ( 0.441 0.000 2.358) 2.398 4.836 ( 3.231 0.000 0.793) 3.327 5.081 ( -5.438 0.000 1.355) 5.604 5.195 ( -1.640 0.000 -3.651) 4.002 5.350 ( 0.740 0.000 -3.513) 3.590 5.403 ( 1.715 0.000 9.734) 9.884 5.733 ( -5.940 0.000 2.575) 6.475 5.749 ( -7.166 0.000 -0.027) 7.166 6.008 ( 2.347 0.000 0.868) 2.502 6.107 ( 2.869 0.000 2.651) 3.906 6.150 ( -2.162 0.000 -2.420) 3.245 6.190 ( 1.039 0.000 -3.222) 3.385 6.371 ( -1.400 0.000 3.280) 3.567 6.402 ( -4.176 0.000 -1.742) 4.525 6.475 ( -3.521 0.000 -6.176) 7.110 6.639 ( 3.237 0.000 0.885) 3.356 6.688 ( 2.807 0.000 -0.456) 2.844 6.729 ( 1.490 0.000 -0.832) 1.707 6.871 ( -2.685 0.000 -0.187) 2.691 6.874 ( 3.314 0.000 0.153) 3.318 7.117 ( -5.879 0.000 -0.076) 5.880 7.211 ( -4.933 0.000 -2.841) 5.693 7.237 ( -1.884 0.000 2.116) 2.833 7.271 ( -0.068 0.000 -1.081) 1.083 7.429 ( -0.524 0.000 -0.663) 0.846 7.564 ( -1.293 0.000 -0.024) 1.294 7.621 ( -1.890 0.000 1.193) 2.235 7.627 ( -0.259 0.000 -0.906) 0.942 7.679 ( -2.249 0.000 4.208) 4.771 7.808 ( 3.749 0.000 -3.637) 5.223 7.937 ( -0.263 0.000 0.521) 0.584 8.012 ( 1.606 0.000 1.356) 2.101 8.072 ( -0.899 0.000 2.959) 3.092 8.086 ( 1.181 0.000 -0.834) 1.446 8.196 ( -1.271 0.000 -0.499) 1.366 8.251 ( 2.768 0.000 0.086) 2.770 8.349 ( -5.007 0.000 1.910) 5.359 8.357 ( -0.165 0.000 0.116) 0.201 8.358 ( 1.109 0.000 -1.472) 1.843 8.525 ( 3.782 0.000 -0.622) 3.833 8.668 ( -3.510 0.000 -0.130) 3.513 8.782 ( -2.250 0.000 -0.581) 2.324 8.808 ( 2.287 0.000 -1.105) 2.540 8.912 ( 2.495 0.000 3.072) 3.958 9.263 ( -1.731 0.000 -1.560) 2.331 9.317 ( 0.556 0.000 0.164) 0.580 12.506 ( -0.147 0.000 0.187) 0.238 12.517 ( 0.362 0.000 -0.213) 0.420 14.204 ( 1.486 0.000 7.911) 8.049 14.283 ( 6.316 0.000 -8.743) 10.786 17.047 ( 2.943 0.000 -5.893) 6.587 17.117 ( -2.538 0.000 5.259) 5.839 17.118 ( 4.257 0.000 3.479) 5.498 17.150 ( -2.926 0.000 6.846) 7.445 17.169 ( 2.805 0.000 -3.758) 4.689 17.173 ( 3.013 0.000 1.954) 3.591 17.260 ( 2.978 0.000 -5.969) 6.671 17.337 ( 9.136 0.000 1.310) 9.230 17.902 ( -5.281 0.000 -7.354) 9.054 17.923 ( -3.171 0.000 3.191) 4.499 17.951 ( -2.576 0.000 -3.429) 4.289 18.002 ( -1.618 0.000 6.572) 6.768 18.161 ( 0.029 0.000 -0.474) 0.474 18.173 ( 1.623 0.000 -0.241) 1.641 18.235 ( -1.038 0.000 2.180) 2.414 18.254 ( 0.218 0.000 -2.188) 2.199 18.748 ( 1.646 0.000 1.290) 2.091 18.759 ( 1.820 0.000 -1.054) 2.103 19.075 ( -8.338 0.000 0.009) 8.338 19.226 ( -3.950 0.000 -4.776) 6.197 19.546 ( 0.303 0.000 -5.012) 5.021 19.597 ( 1.614 0.000 8.347) 8.501 19.888 ( -2.426 0.000 3.547) 4.297 19.914 ( -0.930 0.000 -3.919) 4.028 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 24.945 0.000 0.740) 24.956 1.388 ( -2.749 0.000 20.548) 20.731 1.557 ( 5.483 0.000 18.510) 19.305 1.650 ( 10.910 0.000 -11.892) 16.138 1.883 ( 15.129 0.000 -14.895) 21.231 1.913 ( -13.492 0.000 9.689) 16.610 1.938 ( -9.523 0.000 6.648) 11.614 2.130 ( -5.093 0.000 9.589) 10.858 2.284 ( 6.346 0.000 -5.189) 8.197 2.407 ( 5.600 0.000 -5.590) 7.913 2.611 ( -3.064 0.000 -5.346) 6.162 2.621 ( -0.269 0.000 -12.563) 12.566 2.810 ( 5.946 0.000 6.546) 8.843 2.845 ( 3.360 0.000 4.555) 5.660 2.865 ( 3.450 0.000 0.617) 3.505 2.916 ( -8.472 0.000 -3.285) 9.087 2.965 ( -9.844 0.000 -8.103) 12.750 3.068 ( 3.124 0.000 -2.598) 4.063 3.218 ( -5.536 0.000 4.578) 7.183 3.473 ( 7.532 0.000 3.099) 8.145 3.571 ( 8.564 0.000 -3.698) 9.328 3.578 ( -3.390 0.000 5.420) 6.393 3.650 ( -8.031 0.000 -7.106) 10.724 3.703 ( -4.774 0.000 -1.925) 5.147 3.864 ( 4.764 0.000 -0.389) 4.780 4.021 ( -1.295 0.000 1.851) 2.259 4.097 ( -0.041 0.000 0.614) 0.615 4.236 ( 0.285 0.000 2.151) 2.170 4.237 ( 0.131 0.000 -3.412) 3.415 4.339 ( 3.107 0.000 1.440) 3.424 4.409 ( -0.744 0.000 2.285) 2.403 4.435 ( 1.932 0.000 0.149) 1.938 4.538 ( -1.048 0.000 0.537) 1.178 4.548 ( 1.618 0.000 -2.232) 2.757 4.822 ( -0.381 0.000 5.021) 5.035 4.869 ( -1.672 0.000 1.929) 2.553 4.947 ( -4.088 0.000 -4.261) 5.905 5.070 ( -5.365 0.000 -5.985) 8.038 5.400 ( 2.319 0.000 2.407) 3.343 5.538 ( 0.709 0.000 11.877) 11.898 5.633 ( -3.081 0.000 3.310) 4.522 5.642 ( -4.574 0.000 -0.731) 4.632 6.074 ( -5.422 0.000 -2.425) 5.940 6.076 ( 2.987 0.000 1.270) 3.245 6.115 ( -2.421 0.000 -0.314) 2.442 6.193 ( 2.328 0.000 -4.579) 5.137 6.249 ( -8.117 0.000 2.992) 8.651 6.335 ( 2.120 0.000 -4.467) 4.944 6.501 ( 3.088 0.000 6.217) 6.942 6.648 ( -5.424 0.000 2.011) 5.784 6.708 ( 3.130 0.000 -4.409) 5.407 6.737 ( 2.704 0.000 -1.323) 3.010 6.824 ( -0.662 0.000 -1.946) 2.056 6.961 ( 3.362 0.000 -2.016) 3.920 7.018 ( -5.225 0.000 -8.402) 9.894 7.142 ( 4.248 0.000 -0.490) 4.276 7.223 ( -1.936 0.000 -3.341) 3.862 7.229 ( -1.178 0.000 1.702) 2.070 7.453 ( 2.247 0.000 0.831) 2.395 7.507 ( -2.887 0.000 -0.316) 2.904 7.592 ( -2.877 0.000 2.659) 3.918 7.619 ( 0.742 0.000 -1.408) 1.591 7.682 ( -1.929 0.000 4.412) 4.816 7.817 ( 1.989 0.000 -4.497) 4.917 7.964 ( 1.651 0.000 2.104) 2.674 8.041 ( 0.117 0.000 1.014) 1.021 8.066 ( -2.476 0.000 2.623) 3.607 8.109 ( 1.143 0.000 0.320) 1.187 8.180 ( 0.119 0.000 -0.755) 0.764 8.230 ( -4.279 0.000 -2.037) 4.739 8.346 ( 1.974 0.000 -0.743) 2.109 8.354 ( 0.566 0.000 -1.934) 2.015 8.355 ( -0.535 0.000 5.024) 5.052 8.574 ( 0.282 0.000 -0.322) 0.428 8.605 ( -0.754 0.000 -1.101) 1.334 8.730 ( -2.040 0.000 -0.795) 2.189 8.863 ( 3.198 0.000 0.849) 3.308 8.980 ( 0.659 0.000 3.378) 3.442 9.220 ( -0.709 0.000 -1.690) 1.833 9.307 ( -0.580 0.000 -1.843) 1.932 12.507 ( -0.036 0.000 0.308) 0.310 12.520 ( 0.225 0.000 -0.337) 0.405 14.307 ( -1.893 0.000 10.159) 10.333 14.339 ( 8.304 0.000 -6.961) 10.836 17.073 ( 4.159 0.000 -3.918) 5.714 17.123 ( -2.397 0.000 4.821) 5.384 17.165 ( -0.516 0.000 4.545) 4.574 17.169 ( 1.390 0.000 -2.521) 2.879 17.200 ( 1.009 0.000 -3.957) 4.084 17.229 ( 4.437 0.000 0.643) 4.483 17.302 ( 3.139 0.000 0.141) 3.142 17.570 ( 8.675 0.000 5.293) 10.162 17.690 ( -6.371 0.000 -10.861) 12.592 17.872 ( -4.682 0.000 1.321) 4.865 17.884 ( -0.660 0.000 -0.963) 1.168 17.992 ( -4.036 0.000 3.500) 5.343 18.157 ( 0.033 0.000 -0.144) 0.148 18.205 ( 1.846 0.000 -1.104) 2.151 18.230 ( -1.836 0.000 2.320) 2.959 18.231 ( -0.032 0.000 -1.993) 1.993 18.804 ( 3.297 0.000 0.327) 3.313 18.811 ( 3.680 0.000 0.805) 3.767 18.942 ( -4.116 0.000 -0.629) 4.163 19.077 ( -6.914 0.000 -3.028) 7.548 19.541 ( 2.768 0.000 -1.829) 3.318 19.655 ( -3.743 0.000 6.092) 7.150 19.858 ( -2.779 0.000 1.740) 3.279 19.868 ( -0.274 0.000 -2.362) 2.378 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -14.703 0.000 17.389) 22.772 1.576 ( -20.261 0.000 14.586) 24.965 1.669 ( 24.562 0.000 6.546) 25.420 1.742 ( 11.741 0.000 -11.978) 16.773 1.951 ( 1.668 0.000 11.650) 11.768 1.961 ( -0.586 0.000 7.367) 7.390 2.050 ( 11.472 0.000 -4.260) 12.237 2.125 ( -14.909 0.000 -8.013) 16.926 2.230 ( 4.529 0.000 7.105) 8.425 2.269 ( -7.373 0.000 -9.361) 11.916 2.449 ( -6.876 0.000 -7.263) 10.001 2.529 ( 4.954 0.000 -7.971) 9.385 2.689 ( -9.085 0.000 2.174) 9.341 2.772 ( 1.080 0.000 -3.863) 4.011 2.809 ( 5.280 0.000 -0.621) 5.317 2.862 ( -0.048 0.000 -5.006) 5.006 3.107 ( 2.911 0.000 0.661) 2.985 3.110 ( 0.872 0.000 -1.448) 1.690 3.284 ( 6.753 0.000 6.017) 9.045 3.385 ( -8.371 0.000 -4.945) 9.723 3.576 ( -7.828 0.000 2.126) 8.112 3.607 ( -1.965 0.000 4.473) 4.886 3.661 ( 8.997 0.000 -3.125) 9.524 3.711 ( 6.939 0.000 -4.888) 8.488 3.985 ( 5.062 0.000 3.219) 5.999 4.053 ( 2.763 0.000 1.244) 3.031 4.059 ( -3.865 0.000 0.823) 3.952 4.166 ( -2.467 0.000 -4.560) 5.184 4.258 ( -0.225 0.000 2.835) 2.844 4.331 ( -1.157 0.000 -5.030) 5.162 4.440 ( -0.749 0.000 4.496) 4.558 4.477 ( 0.869 0.000 2.023) 2.201 4.589 ( 1.503 0.000 3.381) 3.700 4.596 ( 4.653 0.000 -2.000) 5.065 4.714 ( -3.536 0.000 -1.551) 3.861 4.794 ( -3.898 0.000 -5.012) 6.349 4.947 ( -0.803 0.000 2.521) 2.646 4.962 ( -0.629 0.000 0.013) 0.630 5.469 ( 4.660 0.000 2.483) 5.280 5.515 ( -5.143 0.000 -1.298) 5.304 5.708 ( 3.613 0.000 10.693) 11.286 5.755 ( 5.648 0.000 8.536) 10.236 5.905 ( -10.949 0.000 -5.084) 12.071 5.927 ( -1.674 0.000 -8.298) 8.465 6.142 ( 2.070 0.000 0.206) 2.080 6.166 ( -0.787 0.000 -3.251) 3.345 6.349 ( 5.444 0.000 11.377) 12.613 6.397 ( 3.738 0.000 0.298) 3.750 6.514 ( -8.195 0.000 -0.231) 8.198 6.599 ( -0.787 0.000 6.892) 6.937 6.702 ( -3.143 0.000 -8.887) 9.427 6.729 ( 1.199 0.000 -0.907) 1.503 6.779 ( -1.068 0.000 -4.657) 4.777 6.818 ( 2.152 0.000 -7.000) 7.324 7.079 ( 3.674 0.000 0.975) 3.801 7.116 ( -3.814 0.000 -3.108) 4.920 7.218 ( -1.620 0.000 1.035) 1.922 7.230 ( 2.786 0.000 -0.471) 2.826 7.468 ( -1.760 0.000 1.110) 2.081 7.495 ( 1.708 0.000 -1.220) 2.099 7.577 ( -1.557 0.000 3.278) 3.629 7.627 ( 1.731 0.000 -1.926) 2.590 7.693 ( -2.345 0.000 5.874) 6.325 7.801 ( 1.148 0.000 -4.894) 5.027 8.037 ( 3.201 0.000 2.724) 4.203 8.043 ( -1.034 0.000 1.463) 1.792 8.046 ( -1.850 0.000 2.442) 3.064 8.100 ( -1.526 0.000 -2.527) 2.952 8.164 ( 0.390 0.000 -0.843) 0.929 8.179 ( 1.112 0.000 -1.792) 2.109 8.339 ( -0.912 0.000 0.982) 1.340 8.346 ( 0.067 0.000 -0.778) 0.781 8.439 ( 3.099 0.000 3.382) 4.587 8.518 ( -1.373 0.000 -4.147) 4.369 8.637 ( 1.501 0.000 1.862) 2.391 8.680 ( -1.864 0.000 -2.116) 2.820 8.942 ( 2.728 0.000 2.956) 4.022 8.979 ( -2.663 0.000 0.020) 2.663 9.219 ( 1.043 0.000 1.020) 1.459 9.264 ( -1.281 0.000 -2.949) 3.215 12.510 ( -0.017 0.000 0.395) 0.395 12.518 ( 0.037 0.000 -0.437) 0.438 14.306 ( -7.298 0.000 7.761) 10.653 14.455 ( 10.537 0.000 -7.115) 12.714 17.104 ( 0.716 0.000 0.692) 0.996 17.119 ( -2.433 0.000 3.942) 4.633 17.124 ( -3.385 0.000 -2.258) 4.069 17.178 ( -0.124 0.000 -2.451) 2.454 17.237 ( 3.398 0.000 3.672) 5.003 17.308 ( -0.147 0.000 -3.577) 3.580 17.332 ( 3.663 0.000 3.798) 5.276 17.480 ( -4.102 0.000 -9.262) 10.130 17.746 ( 6.843 0.000 1.647) 7.038 17.775 ( -5.197 0.000 -1.160) 5.325 17.935 ( 4.696 0.000 1.188) 4.844 17.938 ( -3.732 0.000 1.016) 3.868 18.160 ( -0.208 0.000 0.895) 0.919 18.188 ( -0.942 0.000 -1.853) 2.079 18.213 ( -2.201 0.000 2.218) 3.125 18.245 ( 1.893 0.000 -0.893) 2.093 18.873 ( -0.314 0.000 0.954) 1.005 18.888 ( 3.556 0.000 -0.254) 3.565 18.904 ( 2.446 0.000 0.891) 2.603 18.925 ( -6.097 0.000 -1.681) 6.324 19.589 ( -6.370 0.000 2.527) 6.853 19.621 ( 6.800 0.000 -0.754) 6.841 19.833 ( -1.557 0.000 1.392) 2.089 19.863 ( 1.684 0.000 -1.501) 2.255 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -30.673 0.000 -4.144) 30.952 1.248 ( -19.626 0.000 20.184) 28.152 1.518 ( -26.159 0.000 16.311) 30.828 1.794 ( 6.444 0.000 -19.416) 20.457 1.950 ( -0.740 0.000 -12.829) 12.850 2.078 ( 4.657 0.000 -5.286) 7.044 2.101 ( 9.514 0.000 2.066) 9.736 2.140 ( -0.540 0.000 0.728) 0.906 2.270 ( 3.533 0.000 0.699) 3.601 2.306 ( -2.049 0.000 5.556) 5.921 2.386 ( 0.202 0.000 10.366) 10.368 2.511 ( 1.631 0.000 -2.163) 2.709 2.738 ( 4.769 0.000 7.561) 8.939 2.826 ( 2.501 0.000 4.288) 4.964 2.897 ( 11.269 0.000 -3.589) 11.827 2.924 ( 4.436 0.000 -4.430) 6.269 2.980 ( -10.767 0.000 -3.674) 11.377 3.110 ( 2.470 0.000 -4.611) 5.231 3.293 ( 1.983 0.000 -3.007) 3.602 3.429 ( -6.930 0.000 4.778) 8.417 3.510 ( 5.592 0.000 6.829) 8.827 3.549 ( -6.256 0.000 -1.319) 6.394 3.722 ( 1.600 0.000 -5.646) 5.868 3.734 ( 4.494 0.000 -4.371) 6.269 3.923 ( -3.242 0.000 -7.336) 8.021 4.041 ( -0.548 0.000 -1.665) 1.753 4.115 ( -0.195 0.000 -0.805) 0.828 4.175 ( 2.855 0.000 3.328) 4.385 4.277 ( -1.781 0.000 4.337) 4.688 4.288 ( 1.272 0.000 -1.237) 1.774 4.462 ( -0.710 0.000 1.007) 1.232 4.497 ( -3.459 0.000 -2.106) 4.050 4.498 ( 1.510 0.000 -1.589) 2.192 4.576 ( -2.979 0.000 -4.217) 5.163 4.810 ( 7.416 0.000 2.913) 7.968 4.835 ( 3.303 0.000 6.352) 7.160 4.962 ( 1.544 0.000 4.368) 4.633 4.970 ( -0.365 0.000 -4.357) 4.372 5.444 ( -0.297 0.000 -1.162) 1.199 5.609 ( 5.289 0.000 2.150) 5.709 5.682 ( -5.997 0.000 -1.228) 6.121 5.751 ( 0.082 0.000 -8.467) 8.468 5.908 ( 4.324 0.000 11.487) 12.274 6.051 ( 8.395 0.000 6.079) 10.365 6.104 ( -2.599 0.000 -2.366) 3.515 6.169 ( 1.177 0.000 0.312) 1.218 6.303 ( -6.648 0.000 -2.993) 7.290 6.349 ( -3.209 0.000 -6.518) 7.265 6.617 ( -0.825 0.000 1.028) 1.318 6.619 ( -3.302 0.000 3.441) 4.769 6.676 ( 6.631 0.000 0.666) 6.664 6.701 ( -0.312 0.000 11.855) 11.859 6.753 ( 4.389 0.000 -1.510) 4.641 6.820 ( 1.045 0.000 -2.662) 2.860 6.998 ( -5.532 0.000 -1.518) 5.736 7.123 ( -0.714 0.000 1.511) 1.671 7.192 ( -0.560 0.000 -0.236) 0.607 7.255 ( 0.829 0.000 -1.105) 1.381 7.451 ( -1.111 0.000 0.651) 1.287 7.510 ( 1.496 0.000 -0.426) 1.556 7.588 ( -0.228 0.000 1.702) 1.718 7.644 ( 2.332 0.000 -2.269) 3.254 7.709 ( -2.748 0.000 6.631) 7.178 7.765 ( 0.151 0.000 -4.244) 4.247 8.006 ( -2.083 0.000 -1.499) 2.567 8.040 ( -0.910 0.000 1.357) 1.633 8.090 ( 1.344 0.000 0.079) 1.346 8.123 ( 2.543 0.000 0.572) 2.606 8.178 ( 1.666 0.000 -1.441) 2.203 8.198 ( 2.729 0.000 -0.145) 2.733 8.337 ( -0.353 0.000 0.891) 0.958 8.337 ( -0.836 0.000 0.014) 0.836 8.459 ( 0.565 0.000 -5.604) 5.633 8.540 ( 4.010 0.000 3.193) 5.126 8.615 ( -2.566 0.000 -2.420) 3.527 8.688 ( 1.282 0.000 2.992) 3.255 8.900 ( -3.952 0.000 -2.099) 4.475 9.006 ( 0.813 0.000 1.377) 1.599 9.212 ( -0.995 0.000 -1.551) 1.842 9.262 ( 1.241 0.000 2.467) 2.762 12.513 ( -0.108 0.000 0.361) 0.377 12.514 ( -0.017 0.000 -0.404) 0.404 14.219 ( -7.843 0.000 5.564) 9.616 14.537 ( 6.505 0.000 -13.019) 14.553 17.022 ( -5.767 0.000 0.835) 5.827 17.110 ( -2.575 0.000 4.447) 5.138 17.122 ( -0.722 0.000 2.452) 2.556 17.128 ( -4.165 0.000 1.107) 4.310 17.271 ( 1.924 0.000 -6.223) 6.513 17.315 ( 0.897 0.000 -0.799) 1.201 17.353 ( -0.061 0.000 -8.293) 8.293 17.466 ( 4.024 0.000 10.932) 11.649 17.665 ( -4.043 0.000 -3.519) 5.360 17.880 ( -1.890 0.000 -0.485) 1.951 17.885 ( 6.648 0.000 -0.031) 6.648 18.036 ( 5.217 0.000 -0.989) 5.310 18.156 ( -1.128 0.000 -0.180) 1.143 18.165 ( -1.175 0.000 2.281) 2.565 18.195 ( -1.671 0.000 2.002) 2.608 18.266 ( 1.384 0.000 -1.319) 1.912 18.818 ( -4.141 0.000 -0.632) 4.189 18.827 ( -2.614 0.000 -0.778) 2.728 18.931 ( 1.805 0.000 -0.045) 1.806 19.017 ( 5.276 0.000 2.992) 6.066 19.513 ( -3.039 0.000 1.316) 3.312 19.743 ( 5.989 0.000 -2.546) 6.508 19.827 ( -0.660 0.000 1.696) 1.820 19.895 ( 3.466 0.000 -1.960) 3.982 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -18.138 0.000 9.811) 20.622 1.108 ( -18.165 0.000 25.136) 31.013 1.334 ( -18.501 0.000 28.512) 33.989 1.679 ( 5.816 0.000 -23.122) 23.842 1.690 ( -4.666 0.000 -20.651) 21.172 2.051 ( -7.252 0.000 0.868) 7.304 2.167 ( 7.671 0.000 -4.078) 8.687 2.241 ( -6.972 0.000 2.946) 7.569 2.306 ( 3.243 0.000 -5.339) 6.247 2.326 ( 8.282 0.000 0.704) 8.312 2.519 ( 1.861 0.000 4.199) 4.593 2.541 ( -2.385 0.000 7.573) 7.940 2.651 ( -9.509 0.000 -9.180) 13.218 2.840 ( -1.229 0.000 -5.956) 6.081 2.883 ( 2.637 0.000 5.640) 6.226 2.940 ( 1.122 0.000 4.811) 4.940 3.090 ( -1.014 0.000 -6.181) 6.264 3.124 ( 7.267 0.000 -2.343) 7.635 3.342 ( 3.546 0.000 0.357) 3.564 3.365 ( -2.677 0.000 3.943) 4.765 3.423 ( -2.721 0.000 0.169) 2.726 3.647 ( 0.455 0.000 2.764) 2.802 3.721 ( 0.862 0.000 1.734) 1.937 3.801 ( 4.862 0.000 -0.021) 4.862 3.856 ( 4.299 0.000 -5.939) 7.332 4.028 ( -0.800 0.000 1.383) 1.597 4.104 ( 0.538 0.000 -0.316) 0.624 4.219 ( 1.384 0.000 1.639) 2.145 4.254 ( -1.656 0.000 -5.601) 5.841 4.268 ( -2.908 0.000 2.102) 3.588 4.427 ( 1.441 0.000 -1.316) 1.952 4.461 ( -0.826 0.000 -7.135) 7.183 4.539 ( 2.284 0.000 3.110) 3.859 4.552 ( 0.915 0.000 2.231) 2.411 4.828 ( -4.573 0.000 -6.349) 7.824 4.837 ( -4.488 0.000 1.228) 4.653 5.013 ( 6.901 0.000 7.089) 9.893 5.092 ( 2.003 0.000 7.049) 7.328 5.376 ( -3.192 0.000 -4.935) 5.878 5.576 ( -2.751 0.000 -7.264) 7.767 5.751 ( 6.808 0.000 1.196) 6.912 5.806 ( 8.489 0.000 -4.213) 9.477 6.021 ( -3.605 0.000 -1.026) 3.749 6.045 ( -1.548 0.000 9.655) 9.778 6.146 ( 0.667 0.000 -2.044) 2.150 6.185 ( 0.454 0.000 -3.142) 3.174 6.300 ( 6.350 0.000 8.900) 10.933 6.332 ( 1.526 0.000 4.495) 4.747 6.484 ( -3.629 0.000 -5.603) 6.676 6.595 ( -1.934 0.000 2.275) 2.986 6.703 ( -0.457 0.000 -2.238) 2.284 6.784 ( -2.563 0.000 -1.905) 3.193 6.831 ( 4.811 0.000 2.415) 5.384 6.887 ( -2.689 0.000 -0.912) 2.840 7.087 ( 11.524 0.000 11.811) 16.502 7.112 ( 2.462 0.000 0.387) 2.492 7.221 ( 1.247 0.000 3.124) 3.363 7.258 ( 1.312 0.000 -0.509) 1.407 7.436 ( -0.014 0.000 -1.144) 1.144 7.547 ( 1.752 0.000 1.085) 2.060 7.606 ( 0.598 0.000 1.349) 1.475 7.660 ( 1.392 0.000 -2.687) 3.026 7.714 ( -3.667 0.000 5.919) 6.963 7.741 ( 1.362 0.000 -2.204) 2.590 7.964 ( -0.393 0.000 -1.796) 1.838 8.027 ( -1.283 0.000 -0.023) 1.283 8.112 ( 0.810 0.000 -0.795) 1.135 8.121 ( -1.084 0.000 -4.232) 4.369 8.197 ( 1.651 0.000 -0.989) 1.924 8.240 ( -1.054 0.000 1.109) 1.530 8.330 ( 0.482 0.000 1.001) 1.111 8.341 ( -0.014 0.000 0.533) 0.533 8.436 ( 2.691 0.000 -4.939) 5.625 8.533 ( -3.901 0.000 -1.622) 4.225 8.649 ( 4.522 0.000 1.911) 4.909 8.742 ( 0.483 0.000 3.274) 3.310 8.813 ( -2.167 0.000 -1.300) 2.527 8.971 ( -3.126 0.000 -2.831) 4.217 9.224 ( 1.566 0.000 2.121) 2.636 9.306 ( 0.954 0.000 1.336) 1.641 12.511 ( 0.088 0.000 -0.301) 0.314 12.512 ( -0.249 0.000 0.221) 0.333 14.147 ( -5.289 0.000 5.652) 7.741 14.400 ( -4.793 0.000 -13.273) 14.112 16.951 ( -3.426 0.000 3.710) 5.050 17.071 ( -3.600 0.000 3.782) 5.222 17.108 ( -2.122 0.000 3.909) 4.448 17.130 ( -1.785 0.000 3.885) 4.275 17.251 ( -3.675 0.000 -3.753) 5.253 17.254 ( 3.030 0.000 -6.798) 7.443 17.299 ( 2.346 0.000 -7.722) 8.071 17.440 ( -11.047 0.000 -7.538) 13.374 17.720 ( 6.370 0.000 10.294) 12.106 17.894 ( 1.507 0.000 2.627) 3.028 17.979 ( 4.140 0.000 -2.429) 4.800 18.097 ( 2.746 0.000 -3.441) 4.402 18.147 ( -0.265 0.000 1.002) 1.037 18.153 ( -1.513 0.000 1.837) 2.380 18.202 ( -0.460 0.000 2.982) 3.017 18.269 ( 0.473 0.000 -1.379) 1.458 18.748 ( -2.663 0.000 0.071) 2.663 18.777 ( -1.181 0.000 -1.629) 2.012 19.043 ( 9.699 0.000 3.630) 10.356 19.136 ( 2.663 0.000 4.353) 5.103 19.490 ( -1.401 0.000 1.116) 1.791 19.750 ( -0.057 0.000 -6.890) 6.890 19.838 ( -0.904 0.000 3.523) 3.637 19.950 ( 3.904 0.000 -2.750) 4.775 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 6.850 9.882 18.966) 22.456 1.112 ( 2.367 4.781 25.194) 25.753 1.345 ( -2.886 0.959 -20.083) 20.312 1.596 ( -4.953 4.051 -20.708) 21.674 1.659 ( -5.846 17.021 23.405) 29.524 2.004 ( 1.314 7.216 -5.448) 9.136 2.169 ( 3.972 1.399 -1.506) 4.472 2.209 ( -5.581 -0.580 -5.131) 7.603 2.318 ( 0.455 4.222 5.664) 7.079 2.439 ( -0.403 9.121 -7.808) 12.014 2.541 ( -7.576 3.893 9.565) 12.808 2.614 ( -0.215 5.398 5.409) 7.644 2.701 ( 5.312 1.593 -5.887) 8.088 2.795 ( 4.829 2.117 -11.464) 12.618 2.925 ( 0.201 0.936 3.342) 3.476 2.979 ( -3.773 0.157 0.186) 3.781 3.066 ( 0.899 3.507 3.412) 4.975 3.170 ( 0.691 1.242 -4.318) 4.546 3.300 ( 0.462 -4.267 1.104) 4.432 3.370 ( 4.010 -2.112 -2.274) 5.071 3.520 ( -0.977 0.321 3.084) 3.251 3.575 ( -0.289 -3.668 -2.767) 4.604 3.787 ( 0.989 1.370 5.971) 6.206 3.870 ( 3.023 -0.206 1.001) 3.191 3.932 ( -2.870 -1.547 -2.466) 4.088 3.975 ( 1.113 1.643 -1.495) 2.484 4.078 ( 1.988 -3.618 -1.617) 4.434 4.144 ( -4.836 -0.428 -5.729) 7.509 4.274 ( 3.676 1.141 3.394) 5.132 4.308 ( 0.851 -1.448 2.694) 3.175 4.380 ( -0.287 -1.014 -3.441) 3.599 4.411 ( -0.750 -0.731 -3.608) 3.757 4.536 ( -0.568 -2.492 1.866) 3.165 4.567 ( -0.326 -1.040 -0.673) 1.280 4.796 ( -2.867 3.336 2.406) 5.013 4.830 ( 1.353 3.358 -0.530) 3.659 5.129 ( -0.783 -0.768 3.162) 3.347 5.139 ( 0.851 -3.476 3.171) 4.782 5.353 ( 0.583 3.039 2.513) 3.987 5.456 ( -1.534 1.250 -6.725) 7.010 5.714 ( -4.253 -6.251 2.005) 7.822 5.780 ( 2.585 -5.364 -4.460) 7.440 5.983 ( 4.074 -2.539 2.471) 5.400 6.025 ( -3.011 -1.483 -1.859) 3.837 6.183 ( -2.278 -0.656 2.792) 3.663 6.214 ( 2.256 1.421 -1.162) 2.909 6.354 ( -0.088 -3.057 2.147) 3.737 6.384 ( -1.245 -3.242 -2.508) 4.284 6.482 ( 5.570 -2.990 7.941) 10.150 6.599 ( -2.691 -0.840 -1.322) 3.114 6.631 ( -1.395 -1.404 0.796) 2.134 6.698 ( 2.026 0.345 -4.020) 4.515 6.862 ( 0.417 1.814 1.398) 2.328 6.918 ( 1.136 2.573 -3.774) 4.707 7.125 ( 0.637 -8.747 1.000) 8.827 7.142 ( -1.193 -11.434 0.273) 11.500 7.215 ( 2.663 -1.607 4.748) 5.676 7.281 ( -2.203 0.291 -2.374) 3.252 7.454 ( 3.593 -1.512 2.733) 4.761 7.495 ( -3.387 -1.111 -0.327) 3.579 7.620 ( -0.372 -0.324 1.659) 1.731 7.657 ( -0.722 0.955 -0.832) 1.458 7.710 ( -1.792 2.106 3.082) 4.141 7.786 ( 2.264 1.455 -3.364) 4.308 7.947 ( 0.891 -1.233 1.071) 1.860 7.972 ( -1.500 -0.184 -1.170) 1.911 8.046 ( 0.514 -0.398 1.055) 1.239 8.083 ( -0.313 -1.316 -2.103) 2.501 8.226 ( -0.214 0.397 -0.185) 0.487 8.232 ( -0.406 -0.101 -0.728) 0.840 8.337 ( 0.985 -0.216 1.281) 1.631 8.351 ( -0.916 0.339 0.093) 0.981 8.446 ( -1.993 0.504 -0.603) 2.143 8.465 ( 2.234 -0.037 -2.070) 3.046 8.711 ( -3.125 -1.323 1.657) 3.776 8.735 ( 3.675 -0.605 -0.517) 3.760 8.856 ( 2.012 1.936 1.318) 3.087 8.891 ( -3.342 1.737 -2.432) 4.483 9.267 ( 1.586 -1.320 1.786) 2.729 9.288 ( -0.939 -1.403 -0.291) 1.713 12.619 ( 0.228 9.517 1.833) 9.695 12.682 ( -0.155 13.315 -5.410) 14.373 14.103 ( -1.470 -3.279 5.444) 6.523 14.218 ( 1.986 -4.577 -6.283) 8.023 17.022 ( 2.627 2.624 4.323) 5.698 17.049 ( 1.242 -0.931 3.686) 3.999 17.129 ( -2.814 0.377 -3.948) 4.862 17.146 ( -4.250 -0.135 -3.643) 5.600 17.186 ( -2.397 3.321 3.617) 5.465 17.197 ( -2.905 3.751 6.462) 8.017 17.320 ( 3.157 4.220 -6.543) 8.402 17.333 ( 2.233 4.687 -7.513) 9.133 17.885 ( 2.559 -2.411 7.851) 8.602 17.912 ( -1.048 -1.963 3.881) 4.473 17.964 ( 0.981 -3.159 -2.481) 4.134 18.034 ( -2.289 -2.076 -4.838) 5.741 18.126 ( -0.845 -2.215 1.053) 2.594 18.143 ( 1.350 -1.852 -0.772) 2.418 18.165 ( 0.957 -3.943 3.843) 5.589 18.229 ( -0.020 -2.680 -2.538) 3.691 18.747 ( -0.252 1.766 0.669) 1.905 18.764 ( 0.412 0.981 -1.127) 1.550 19.142 ( -3.383 -3.212 4.269) 6.324 19.230 ( 5.968 -3.212 -4.630) 8.208 19.491 ( 0.827 0.468 5.685) 5.764 19.619 ( -2.602 -1.741 -7.251) 7.898 19.835 ( -0.826 -2.948 5.657) 6.433 19.926 ( 0.856 -3.300 -3.894) 5.176 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.618 8.016 -17.942) 19.661 1.200 ( 2.824 5.555 17.131) 18.229 1.441 ( 9.201 -5.646 -17.249) 20.349 1.482 ( 3.365 14.342 21.186) 25.804 1.951 ( 3.238 2.818 10.354) 11.208 1.981 ( 2.721 6.140 -0.978) 6.787 2.071 ( 3.118 6.834 -5.136) 9.100 2.203 ( -3.297 2.114 3.536) 5.277 2.316 ( -7.901 5.634 4.625) 10.750 2.388 ( 3.586 7.038 -3.535) 8.654 2.546 ( 2.342 6.768 7.755) 10.556 2.674 ( 1.485 0.715 -0.458) 1.710 2.719 ( 3.664 0.617 0.259) 3.725 2.756 ( 1.748 3.931 -10.396) 11.251 2.933 ( -1.612 -2.260 0.178) 2.781 3.008 ( 1.573 2.143 3.514) 4.406 3.094 ( -0.854 2.673 -2.728) 3.914 3.130 ( -0.334 2.342 -1.119) 2.617 3.290 ( -0.932 -4.125 -1.645) 4.538 3.355 ( -1.650 -4.080 -2.440) 5.032 3.489 ( 0.827 -2.934 -1.870) 3.576 3.605 ( -1.754 1.380 1.682) 2.795 3.765 ( -4.959 -2.014 -5.891) 7.959 3.816 ( -0.382 2.023 1.417) 2.500 3.919 ( -1.448 2.986 -1.210) 3.533 4.006 ( 1.102 -5.150 0.677) 5.310 4.026 ( -1.510 -0.241 1.748) 2.323 4.174 ( 2.732 -1.379 1.828) 3.565 4.258 ( -0.712 -1.233 -5.319) 5.506 4.317 ( -2.380 1.051 -1.907) 3.225 4.377 ( 1.341 -1.640 1.365) 2.520 4.391 ( 1.480 0.143 1.950) 2.453 4.525 ( -1.323 -2.863 0.693) 3.229 4.576 ( 0.554 0.461 0.857) 1.119 4.783 ( -0.641 2.158 2.600) 3.440 4.881 ( 2.166 2.605 0.593) 3.439 5.048 ( -4.804 -1.938 -0.217) 5.185 5.211 ( 0.894 -0.099 -1.512) 1.759 5.377 ( 0.111 2.063 -3.625) 4.172 5.427 ( 1.607 2.633 6.692) 7.369 5.620 ( -6.617 -6.279 2.674) 9.506 5.767 ( -2.602 -1.756 -0.419) 3.167 5.980 ( 1.101 -2.827 -1.953) 3.608 6.059 ( 0.157 -6.042 0.141) 6.046 6.124 ( -2.839 -0.001 3.423) 4.447 6.216 ( -0.465 1.225 -2.790) 3.082 6.319 ( -5.227 -7.032 1.933) 8.972 6.396 ( -0.024 1.134 -0.855) 1.420 6.441 ( -2.885 -3.132 -4.071) 5.891 6.628 ( 1.533 -0.814 0.730) 1.883 6.683 ( 3.077 0.948 1.796) 3.687 6.729 ( 5.084 -2.297 -2.644) 6.174 6.867 ( -4.388 2.240 -3.121) 5.832 6.892 ( 1.277 0.290 0.551) 1.421 7.071 ( -1.000 -4.296 1.783) 4.758 7.111 ( -3.285 -9.303 -0.449) 9.876 7.199 ( -2.192 -0.068 -3.977) 4.541 7.303 ( 2.523 1.077 2.791) 3.913 7.438 ( -0.580 0.830 -2.441) 2.643 7.527 ( -0.061 -2.582 1.035) 2.782 7.620 ( -1.937 0.019 2.585) 3.231 7.638 ( 0.108 1.140 -1.314) 1.743 7.712 ( -1.747 2.498 3.817) 4.885 7.797 ( 2.464 -0.326 -3.549) 4.333 7.950 ( 0.314 0.602 -0.593) 0.901 7.999 ( 2.376 -0.958 1.531) 2.985 8.036 ( -1.501 -1.736 -0.921) 2.473 8.098 ( 2.144 -0.658 0.754) 2.366 8.197 ( -2.641 0.462 0.514) 2.730 8.229 ( 0.433 -1.654 0.267) 1.730 8.338 ( 0.174 0.095 -1.083) 1.101 8.351 ( -3.502 -0.095 2.885) 4.539 8.393 ( 1.139 1.569 -2.214) 2.943 8.529 ( 3.602 0.145 -0.339) 3.620 8.656 ( -3.619 -0.814 0.528) 3.747 8.777 ( 0.957 -1.108 -1.524) 2.113 8.829 ( -0.469 2.484 -0.340) 2.551 8.922 ( 2.281 1.012 3.090) 3.972 9.252 ( -1.482 -1.035 -1.433) 2.307 9.302 ( 0.738 -1.295 0.056) 1.491 12.613 ( -1.627 9.653 -0.506) 9.803 12.648 ( -0.373 11.047 0.476) 11.063 14.161 ( 1.235 -4.220 5.870) 7.334 14.229 ( 5.244 -4.922 -6.410) 9.634 17.015 ( -0.290 -1.363 -2.631) 2.978 17.060 ( 0.232 -3.801 -0.657) 3.864 17.148 ( 0.384 2.955 2.873) 4.139 17.177 ( 1.214 1.684 5.658) 6.027 17.182 ( -0.986 3.357 5.035) 6.131 17.282 ( 5.248 4.545 2.764) 7.472 17.303 ( 2.529 4.109 -6.405) 8.019 17.355 ( 6.859 2.231 -1.617) 7.392 17.855 ( -4.538 -4.016 -2.318) 6.488 17.887 ( -5.876 -4.123 -3.724) 8.087 17.958 ( -0.829 0.243 -0.425) 0.963 17.993 ( -0.702 -1.057 4.838) 5.002 18.121 ( -0.346 -3.121 -0.218) 3.148 18.156 ( 1.056 -1.979 -0.576) 2.316 18.190 ( -0.420 -2.849 -1.501) 3.248 18.207 ( -0.059 -3.495 0.396) 3.518 18.756 ( 1.219 1.020 -0.084) 1.592 18.786 ( 2.316 1.699 -0.195) 2.879 19.062 ( -7.062 -1.322 1.556) 7.351 19.197 ( -3.013 -2.790 -4.560) 6.137 19.521 ( -0.223 -2.082 -3.004) 3.662 19.616 ( 2.797 1.326 5.592) 6.391 19.836 ( -2.953 -4.084 1.751) 5.336 19.904 ( -0.002 -1.682 -2.064) 2.662 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 23.316 5.161 -0.279) 23.882 1.421 ( -0.078 4.494 14.948) 15.609 1.499 ( 12.889 -7.015 -14.751) 20.807 1.728 ( 0.929 9.579 18.448) 20.807 1.839 ( -7.930 1.095 9.428) 12.368 2.048 ( -1.058 8.895 2.208) 9.225 2.130 ( -8.078 9.293 4.851) 13.235 2.166 ( 4.289 7.597 -2.288) 9.019 2.275 ( 5.414 -1.022 -2.871) 6.213 2.428 ( 2.502 2.341 -5.221) 6.244 2.608 ( -4.541 -2.014 -4.034) 6.400 2.647 ( -1.722 3.342 -10.502) 11.155 2.751 ( -0.467 -2.582 -2.510) 3.631 2.866 ( 6.542 1.211 4.551) 8.061 2.900 ( -4.631 0.843 2.770) 5.462 2.933 ( -4.734 -0.841 -5.808) 7.539 2.979 ( -3.227 5.308 -1.725) 6.447 3.135 ( 3.694 5.412 -3.450) 7.405 3.253 ( -2.633 2.576 4.137) 5.539 3.362 ( 5.460 -7.708 -1.605) 9.581 3.489 ( -3.028 -5.031 2.805) 6.507 3.585 ( -1.142 0.817 3.789) 4.041 3.704 ( 4.319 2.884 -1.291) 5.351 3.825 ( -4.208 7.137 -4.114) 9.251 3.854 ( 4.642 0.449 -2.057) 5.097 4.006 ( -2.617 -1.861 0.423) 3.239 4.031 ( -1.010 -5.493 2.101) 5.967 4.180 ( -2.123 -2.710 3.205) 4.703 4.205 ( 2.455 -4.371 -4.732) 6.893 4.311 ( -0.348 0.041 -2.167) 2.196 4.403 ( -0.730 -1.745 2.615) 3.227 4.460 ( 1.148 0.962 2.747) 3.129 4.522 ( 0.556 -0.978 1.618) 1.971 4.597 ( 3.059 3.208 -0.643) 4.479 4.820 ( -0.696 -0.208 3.375) 3.452 4.873 ( -3.626 -0.808 -0.063) 3.715 4.974 ( -1.078 3.539 -2.036) 4.223 5.116 ( -4.232 3.366 -5.821) 7.945 5.388 ( 0.314 -1.092 0.856) 1.423 5.535 ( 0.944 -0.761 9.215) 9.294 5.582 ( 2.047 -2.353 1.904) 3.654 5.685 ( -5.419 1.522 1.753) 5.895 5.999 ( 0.052 -5.211 -3.346) 6.193 6.038 ( -0.574 -5.377 1.323) 5.567 6.108 ( -4.561 -0.477 0.695) 4.638 6.163 ( -1.410 -2.542 -4.488) 5.347 6.223 ( -3.793 -2.890 6.428) 8.004 6.303 ( 0.766 -3.108 -6.339) 7.101 6.481 ( -0.207 -1.572 3.999) 4.302 6.630 ( 1.004 -2.409 -4.261) 4.997 6.710 ( 0.158 0.093 0.087) 0.203 6.766 ( -0.674 3.474 -2.939) 4.600 6.828 ( 3.377 -0.020 1.304) 3.620 6.922 ( 2.448 -2.270 -1.703) 3.748 7.000 ( -3.707 -1.710 -5.973) 7.235 7.089 ( -1.976 -5.328 -0.607) 5.715 7.180 ( 4.213 2.734 -0.033) 5.023 7.345 ( -0.183 5.026 -0.680) 5.076 7.434 ( 2.107 -1.808 -0.000) 2.776 7.492 ( -2.819 -1.573 0.243) 3.237 7.603 ( -2.412 1.129 2.925) 3.956 7.639 ( 1.319 1.579 -1.555) 2.579 7.722 ( -1.900 2.886 4.834) 5.942 7.807 ( 2.406 0.052 -3.576) 4.310 7.962 ( 1.127 -0.532 0.230) 1.267 8.000 ( -1.954 -3.398 0.552) 3.959 8.059 ( 2.282 -0.054 0.934) 2.466 8.137 ( 0.612 1.120 0.511) 1.375 8.158 ( -1.301 -1.313 0.287) 1.870 8.215 ( -2.237 -1.260 -1.747) 3.105 8.301 ( -1.741 -1.567 1.826) 2.970 8.340 ( 0.163 -0.477 -0.995) 1.115 8.420 ( 1.956 2.659 0.510) 3.340 8.572 ( -0.189 -0.301 -0.232) 0.425 8.597 ( -0.896 -0.509 -0.523) 1.155 8.741 ( -1.627 0.255 -2.140) 2.700 8.873 ( 2.793 1.272 1.962) 3.642 8.990 ( 0.785 0.867 3.377) 3.574 9.212 ( -0.577 -0.677 -1.632) 1.858 9.297 ( -0.403 -0.942 -1.680) 1.968 12.591 ( -0.372 8.137 0.226) 8.149 12.637 ( -1.099 10.144 0.133) 10.205 14.237 ( 1.196 -6.358 4.220) 7.724 14.287 ( 4.381 -4.976 -1.867) 6.888 17.026 ( 3.202 -3.290 -1.743) 4.910 17.086 ( 2.853 -4.498 -0.720) 5.375 17.146 ( -2.604 2.185 3.467) 4.855 17.170 ( -3.780 1.930 4.492) 6.179 17.281 ( 1.056 4.543 -1.568) 4.921 17.298 ( 4.660 2.021 -2.353) 5.598 17.334 ( 0.570 3.708 0.451) 3.778 17.575 ( 8.714 0.520 5.835) 10.500 17.656 ( -6.158 -3.391 -10.558) 12.684 17.813 ( -0.861 -4.457 1.102) 4.672 17.921 ( -2.839 2.115 0.056) 3.541 17.990 ( -3.544 -0.510 3.331) 4.890 18.106 ( 0.283 -4.198 -2.146) 4.723 18.151 ( -0.435 -4.897 -3.045) 5.783 18.182 ( 1.583 -1.980 -0.527) 2.589 18.206 ( -1.554 -2.549 1.911) 3.545 18.799 ( 3.344 0.283 0.118) 3.358 18.842 ( 3.799 1.468 -0.140) 4.075 18.958 ( -4.665 0.950 1.152) 4.898 19.066 ( -5.990 -1.105 -3.119) 6.843 19.527 ( 2.755 -1.375 -0.602) 3.137 19.678 ( -2.317 1.884 4.015) 5.004 19.799 ( -1.877 -4.148 1.488) 4.789 19.871 ( -0.879 -1.021 -2.010) 2.420 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -17.305 -1.738 13.678) 22.127 1.631 ( 14.373 -6.021 -12.788) 20.159 1.702 ( 22.629 2.601 8.335) 24.255 1.745 ( -17.921 9.862 8.018) 21.971 1.911 ( 3.443 1.888 9.581) 10.354 2.102 ( -0.491 7.896 8.742) 11.790 2.122 ( 0.498 4.877 -2.276) 5.405 2.181 ( -8.941 3.997 2.312) 10.063 2.283 ( 3.832 5.725 0.782) 6.933 2.338 ( -6.662 5.361 -6.087) 10.496 2.478 ( -2.613 1.337 -5.143) 5.921 2.504 ( 3.192 -1.420 -5.692) 6.679 2.644 ( -5.225 -1.753 -1.787) 5.794 2.727 ( 2.211 -2.468 -7.999) 8.658 2.845 ( -0.242 -0.206 -1.887) 1.913 2.849 ( 1.547 2.121 -2.811) 3.846 3.115 ( -0.976 1.175 1.881) 2.423 3.170 ( 3.751 2.279 -3.544) 5.642 3.284 ( 0.440 0.833 5.089) 5.175 3.367 ( -2.108 -1.820 -3.984) 4.861 3.584 ( 4.347 -0.181 8.492) 9.542 3.614 ( -2.020 3.536 5.613) 6.934 3.731 ( -0.621 1.839 -6.093) 6.395 3.752 ( 2.876 7.416 -6.310) 10.153 3.936 ( 5.111 -4.816 0.537) 7.043 3.959 ( -2.689 -7.850 -1.820) 8.495 4.078 ( 3.955 1.115 5.205) 6.631 4.166 ( -2.710 -1.855 0.604) 3.339 4.229 ( -4.223 -1.625 -3.413) 5.668 4.240 ( 4.096 -3.549 -1.864) 5.731 4.422 ( -0.069 -2.179 3.539) 4.157 4.471 ( -0.382 -1.322 -0.280) 1.405 4.578 ( 2.337 0.209 4.461) 5.040 4.657 ( -0.408 2.199 -2.233) 3.160 4.752 ( -2.741 2.110 -1.147) 3.645 4.782 ( -1.681 -0.078 -2.435) 2.960 4.989 ( 1.377 4.378 1.903) 4.968 5.016 ( -2.649 4.421 -1.432) 5.349 5.451 ( 4.581 -1.420 4.291) 6.435 5.522 ( -5.081 -0.419 -2.940) 5.886 5.677 ( 2.595 -2.662 9.821) 10.501 5.772 ( 6.404 0.531 6.135) 8.884 5.879 ( -5.933 -2.998 -6.081) 9.010 5.903 ( -5.809 -2.027 -5.075) 7.976 6.089 ( 1.034 -4.602 1.721) 5.021 6.147 ( 0.444 -1.977 -4.697) 5.115 6.283 ( 3.246 -6.443 5.623) 9.147 6.361 ( 0.382 -2.266 1.366) 2.673 6.430 ( -2.291 -4.947 2.605) 6.042 6.603 ( -0.110 -4.954 -3.740) 6.208 6.689 ( -3.502 5.037 -0.256) 6.140 6.759 ( 3.055 1.002 -3.519) 4.767 6.843 ( -2.075 6.329 0.338) 6.670 6.892 ( 1.155 3.949 -4.213) 5.889 7.001 ( 3.663 -5.089 -0.489) 6.290 7.019 ( -2.845 -5.592 -2.107) 6.618 7.266 ( 2.503 2.690 1.781) 4.083 7.300 ( -2.828 4.391 -1.510) 5.436 7.456 ( -1.487 -1.173 1.096) 2.188 7.478 ( 1.903 -1.779 -0.897) 2.755 7.593 ( -2.183 1.108 3.691) 4.429 7.653 ( 2.158 1.942 -2.442) 3.794 7.729 ( -2.554 2.888 4.888) 6.225 7.814 ( 2.000 1.596 -3.759) 4.547 7.975 ( -1.279 -3.617 1.414) 4.089 7.997 ( 1.864 -3.077 -0.289) 3.609 8.094 ( -0.513 2.131 2.293) 3.172 8.129 ( -1.756 1.740 -0.323) 2.493 8.136 ( -0.530 -1.673 -0.255) 1.773 8.177 ( 2.369 -0.752 -2.670) 3.648 8.295 ( -1.741 -2.558 2.383) 3.905 8.342 ( 2.050 -0.999 -2.430) 3.333 8.470 ( 1.390 2.172 2.388) 3.515 8.520 ( -1.107 0.138 -2.634) 2.860 8.628 ( 1.364 -0.819 2.137) 2.664 8.682 ( -1.839 -0.073 -3.030) 3.545 8.952 ( 2.451 1.027 3.269) 4.213 8.993 ( -2.214 1.272 -0.131) 2.557 9.214 ( 1.031 -0.501 1.067) 1.566 9.258 ( -1.221 -0.619 -2.779) 3.098 12.601 ( 0.476 8.315 0.815) 8.368 12.617 ( -0.230 9.066 -0.843) 9.108 14.249 ( -5.975 -5.307 6.255) 10.149 14.369 ( 8.286 -7.828 -5.711) 12.750 17.084 ( 2.159 -2.230 1.143) 3.307 17.110 ( -4.389 -0.637 0.608) 4.477 17.118 ( -2.040 0.088 1.372) 2.460 17.147 ( 2.818 -1.328 -0.965) 3.261 17.281 ( -0.799 1.963 3.462) 4.059 17.310 ( -3.108 0.370 1.559) 3.497 17.361 ( 3.766 2.008 -1.614) 4.563 17.477 ( -1.485 -0.457 -9.359) 9.487 17.756 ( 6.315 1.009 3.156) 7.131 17.798 ( -4.403 1.907 -0.920) 4.886 17.927 ( 4.332 -1.031 1.649) 4.748 17.942 ( -3.253 0.239 0.766) 3.351 18.087 ( -1.374 -6.175 -0.667) 6.361 18.112 ( 0.188 -5.428 -2.705) 6.068 18.190 ( -1.867 -2.006 1.557) 3.152 18.210 ( 1.714 -2.569 -0.401) 3.114 18.881 ( 4.050 -0.314 0.948) 4.172 18.890 ( -3.669 -0.139 0.413) 3.695 18.923 ( 1.919 1.489 -0.239) 2.441 18.933 ( -2.219 0.945 -1.678) 2.938 19.600 ( -1.996 0.376 2.027) 2.870 19.625 ( 2.108 0.563 -0.554) 2.251 19.799 ( -0.828 -3.131 2.520) 4.103 19.848 ( 0.968 -1.478 -2.457) 3.026 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -21.257 -4.293 13.833) 25.723 1.246 ( -27.850 6.278 -3.066) 28.713 1.730 ( 4.646 -0.464 -13.148) 13.952 1.779 ( -18.999 15.943 14.978) 28.974 1.944 ( 0.995 -4.773 -7.263) 8.747 2.108 ( 4.513 9.418 -10.038) 14.485 2.156 ( 3.030 3.134 7.287) 8.492 2.258 ( 1.083 3.925 3.514) 5.378 2.286 ( 3.380 2.436 -6.787) 7.964 2.338 ( 0.185 4.222 3.514) 5.496 2.419 ( -0.024 3.708 8.435) 9.214 2.534 ( 3.304 2.743 1.070) 4.426 2.704 ( 6.464 -1.646 2.721) 7.204 2.824 ( 7.913 -6.005 -1.055) 9.989 2.862 ( 1.069 1.930 3.353) 4.014 2.937 ( 10.149 2.204 -2.043) 10.585 3.032 ( -6.135 3.352 -1.237) 7.100 3.140 ( -0.918 3.050 -4.355) 5.395 3.299 ( -1.939 1.054 -0.579) 2.282 3.335 ( -2.267 -7.181 0.123) 7.531 3.558 ( -2.667 4.953 0.424) 5.642 3.627 ( -3.049 1.555 0.764) 3.507 3.688 ( 1.556 2.211 -1.284) 2.993 3.831 ( 5.615 3.680 -5.900) 8.938 3.868 ( -1.559 -1.964 -4.075) 4.785 4.002 ( 2.770 -3.811 -0.642) 4.755 4.081 ( -1.869 -5.837 -3.151) 6.891 4.145 ( -2.256 -3.133 1.751) 4.239 4.223 ( 3.656 1.784 3.204) 5.179 4.294 ( 2.188 -1.147 -2.645) 3.619 4.421 ( -0.960 -2.993 0.745) 3.230 4.497 ( 2.138 -0.106 0.444) 2.186 4.550 ( -3.529 -0.657 -2.184) 4.202 4.595 ( -3.519 3.809 -0.741) 5.238 4.807 ( 4.928 -1.898 4.902) 7.205 4.838 ( 4.313 1.061 1.959) 4.854 4.957 ( -2.905 3.058 -0.455) 4.243 5.044 ( 2.018 4.211 1.785) 4.999 5.415 ( -1.847 -2.183 -1.476) 3.217 5.598 ( 2.134 -1.105 0.258) 2.417 5.668 ( -4.368 -2.438 -2.037) 5.401 5.738 ( 0.874 -1.288 -2.615) 3.043 5.874 ( 3.401 -3.346 6.250) 7.863 6.030 ( 6.556 -2.556 5.445) 8.897 6.095 ( -0.669 -4.994 -0.575) 5.071 6.109 ( 0.804 -0.508 -0.420) 1.040 6.220 ( -5.705 -6.011 -2.246) 8.587 6.397 ( 1.423 1.136 -2.739) 3.289 6.461 ( 0.249 -8.019 2.569) 8.425 6.600 ( -1.252 -0.284 -0.822) 1.525 6.680 ( 3.488 -2.322 4.747) 6.332 6.770 ( 0.338 4.117 -2.031) 4.603 6.822 ( -0.761 5.958 1.801) 6.271 6.876 ( 0.306 4.253 -0.638) 4.312 6.932 ( -2.659 -3.921 -0.597) 4.775 7.073 ( 2.699 -5.164 0.322) 5.836 7.205 ( -4.622 3.219 -1.519) 5.834 7.316 ( 0.532 2.908 1.761) 3.441 7.436 ( -1.588 -1.375 0.146) 2.106 7.501 ( 1.752 -1.253 -0.666) 2.255 7.590 ( -1.418 0.217 2.674) 3.034 7.668 ( 2.023 1.945 -2.696) 3.891 7.725 ( -2.856 2.131 4.809) 5.986 7.806 ( 1.023 3.181 -3.640) 4.941 7.962 ( -1.285 -3.262 0.400) 3.529 8.029 ( 2.473 -4.093 -1.770) 5.099 8.066 ( -2.644 0.884 0.473) 2.827 8.108 ( -0.720 -1.547 1.532) 2.293 8.183 ( 2.679 -0.358 1.442) 3.064 8.200 ( 2.893 0.735 -2.988) 4.223 8.289 ( -0.738 -1.930 1.829) 2.759 8.360 ( 1.760 -0.358 -1.759) 2.514 8.454 ( -1.245 0.177 -2.346) 2.662 8.558 ( 3.664 1.208 1.710) 4.220 8.612 ( -2.277 -0.252 -2.938) 3.725 8.680 ( 1.012 -0.880 3.573) 3.817 8.922 ( -3.271 2.054 -2.422) 4.559 9.014 ( 0.765 0.771 1.440) 1.804 9.205 ( -1.122 -0.639 -1.440) 1.934 9.256 ( 1.079 -0.564 2.187) 2.503 12.597 ( -0.284 7.812 -0.237) 7.821 12.645 ( 3.122 11.148 -0.612) 11.593 14.172 ( -6.795 -4.497 4.473) 9.295 14.429 ( 4.216 -9.449 -9.413) 13.987 17.014 ( -4.005 -0.762 -0.530) 4.112 17.063 ( -3.654 -2.115 1.076) 4.356 17.143 ( -0.240 1.971 3.803) 4.290 17.180 ( -0.572 2.599 2.017) 3.340 17.266 ( -0.499 -0.449 -1.080) 1.272 17.332 ( 1.773 1.752 -1.762) 3.053 17.401 ( 0.755 2.776 -5.396) 6.115 17.449 ( 4.204 -1.401 7.715) 8.897 17.679 ( -4.830 1.396 -4.055) 6.459 17.849 ( -0.974 -1.635 -2.130) 2.857 17.917 ( 4.474 1.891 0.490) 4.882 18.032 ( 4.209 -1.617 -0.181) 4.513 18.051 ( -1.929 -6.960 2.426) 7.619 18.107 ( 0.153 -5.202 0.168) 5.207 18.168 ( -1.762 -1.515 0.998) 2.529 18.235 ( 1.456 -2.595 -0.811) 3.084 18.811 ( -3.289 -0.143 -0.973) 3.432 18.837 ( -3.811 0.850 0.370) 3.922 18.985 ( 5.031 1.862 -1.014) 5.459 19.010 ( 4.126 0.196 1.788) 4.501 19.517 ( -3.618 0.359 0.512) 3.672 19.730 ( 4.496 -1.254 -1.083) 4.791 19.799 ( -1.231 -2.475 1.741) 3.267 19.867 ( 3.304 -2.629 -1.854) 4.611 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -13.379 10.130 9.953) 19.511 1.040 ( -14.147 0.422 20.587) 24.983 1.563 ( -1.593 -1.670 -18.287) 18.432 1.629 ( -16.506 20.510 23.657) 35.394 1.912 ( -0.501 10.582 -18.079) 20.954 2.008 ( 1.328 -1.942 -2.481) 3.418 2.168 ( 0.235 1.608 -2.386) 2.886 2.273 ( -0.920 0.881 0.448) 1.350 2.318 ( -3.378 1.553 0.847) 3.813 2.433 ( 9.447 9.240 -3.381) 13.640 2.543 ( 2.571 1.329 6.118) 6.768 2.577 ( -3.466 4.669 5.692) 8.138 2.736 ( -4.873 6.458 -7.152) 10.798 2.823 ( 1.102 1.096 -3.051) 3.424 2.911 ( 0.436 -1.052 -1.748) 2.086 2.958 ( 0.187 3.276 8.159) 8.794 3.095 ( 0.999 1.337 -5.185) 5.447 3.167 ( 5.905 2.617 -2.379) 6.883 3.246 ( 0.925 -5.573 2.469) 6.166 3.307 ( -0.585 -4.492 1.209) 4.689 3.522 ( -0.802 4.972 -1.834) 5.360 3.619 ( -2.237 -3.531 4.721) 6.305 3.686 ( 4.383 -0.990 -3.155) 5.491 3.814 ( 0.674 -0.455 -1.518) 1.722 3.912 ( 4.678 4.935 -1.400) 6.942 4.022 ( -1.589 -3.194 -0.662) 3.629 4.080 ( 3.049 -0.701 -1.514) 3.476 4.164 ( 2.370 -3.303 2.396) 4.719 4.240 ( -0.292 -0.560 -4.284) 4.330 4.284 ( -1.256 0.747 1.190) 1.884 4.422 ( -0.067 -1.890 -2.286) 2.967 4.478 ( -1.618 0.133 -4.351) 4.644 4.526 ( 0.365 -0.727 -0.875) 1.195 4.555 ( 0.262 0.860 2.646) 2.794 4.830 ( -2.429 0.753 -2.763) 3.755 4.867 ( -2.964 1.725 2.099) 4.021 5.001 ( 4.752 -0.258 4.512) 6.558 5.118 ( 1.088 1.671 5.964) 6.289 5.371 ( -2.010 -0.701 -2.253) 3.100 5.557 ( -2.204 -1.866 -4.873) 5.665 5.661 ( 5.962 -5.460 -0.181) 8.087 5.804 ( 3.273 -2.394 -4.042) 5.725 5.918 ( -2.187 -4.793 4.386) 6.855 6.068 ( 0.376 -4.663 -0.601) 4.717 6.136 ( 1.514 -2.234 3.672) 4.557 6.180 ( 1.628 0.136 1.876) 2.488 6.242 ( 3.783 -2.696 8.038) 9.283 6.355 ( 2.545 1.368 -3.123) 4.254 6.497 ( -2.858 -2.289 -3.828) 5.297 6.551 ( -0.458 -1.233 3.843) 4.062 6.716 ( 0.102 -0.601 -2.403) 2.480 6.743 ( -5.011 -1.198 1.045) 5.257 6.834 ( 3.093 2.257 -0.959) 3.947 6.903 ( 1.574 -0.597 -0.528) 1.765 7.026 ( 6.372 -4.115 9.235) 11.950 7.112 ( 0.366 -5.402 -1.452) 5.606 7.130 ( 0.206 1.021 1.563) 1.878 7.326 ( -1.045 3.725 0.470) 3.897 7.407 ( -0.483 -2.418 -0.069) 2.467 7.527 ( 0.231 -1.888 0.763) 2.049 7.601 ( 0.052 -0.011 2.190) 2.190 7.672 ( 0.778 1.328 -1.966) 2.497 7.719 ( -2.359 0.936 3.804) 4.573 7.786 ( 0.862 3.433 -3.114) 4.715 7.943 ( -0.635 -2.228 0.096) 2.319 8.019 ( -2.299 -0.136 -0.437) 2.344 8.045 ( 0.899 -3.650 -2.099) 4.306 8.104 ( -0.702 -1.951 0.210) 2.084 8.224 ( 2.114 0.798 -2.202) 3.156 8.228 ( 0.731 -0.773 0.348) 1.119 8.311 ( 0.410 -0.872 2.122) 2.330 8.364 ( -0.549 1.646 0.385) 1.778 8.422 ( 1.961 -1.061 -3.939) 4.526 8.536 ( -3.435 0.050 -1.296) 3.672 8.653 ( 4.411 0.256 0.934) 4.516 8.727 ( -0.513 -1.531 3.512) 3.866 8.846 ( -1.481 3.057 -1.826) 3.856 8.983 ( -2.775 1.038 -2.874) 4.127 9.214 ( 1.356 -0.932 2.086) 2.657 9.290 ( 0.282 -1.232 1.373) 1.866 12.599 ( 0.393 8.198 0.534) 8.224 12.699 ( 4.130 13.824 -4.378) 15.077 14.108 ( -4.425 -3.756 4.784) 7.522 14.321 ( -3.646 -6.869 -9.436) 12.227 16.969 ( -0.784 1.098 1.414) 1.954 17.021 ( -1.612 -2.123 1.860) 3.250 17.165 ( -2.838 2.678 6.366) 7.466 17.179 ( -2.618 3.735 4.416) 6.349 17.235 ( -0.724 1.350 -4.598) 4.847 17.304 ( -0.318 2.728 -5.294) 5.964 17.346 ( 0.431 3.516 -6.161) 7.107 17.465 ( -8.362 2.394 -8.865) 12.420 17.694 ( 6.965 -2.582 10.242) 12.652 17.854 ( 3.031 -3.644 1.278) 4.910 17.973 ( 0.827 -1.809 -1.398) 2.431 18.079 ( 1.798 -3.604 2.165) 4.572 18.085 ( 1.352 -2.792 -0.135) 3.105 18.122 ( 0.462 -3.477 1.773) 3.930 18.144 ( -1.411 -1.700 0.619) 2.295 18.245 ( 0.620 -2.315 -1.482) 2.818 18.758 ( -1.414 0.862 -0.370) 1.697 18.786 ( -1.829 0.891 -0.127) 2.038 19.084 ( 7.768 2.001 -0.702) 8.052 19.111 ( 2.498 -2.324 4.011) 5.266 19.479 ( -1.681 -0.939 1.022) 2.180 19.728 ( -1.149 -1.968 -4.885) 5.391 19.800 ( -1.187 -3.120 3.691) 4.976 19.920 ( 3.322 -2.905 -2.232) 4.945 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 2.926 14.016 7.648) 16.233 1.311 ( 15.077 14.891 20.422) 29.430 1.400 ( -2.932 5.242 -11.147) 12.662 1.734 ( -13.685 9.466 -21.883) 27.491 2.024 ( -4.528 12.041 11.814) 17.467 2.069 ( 3.025 1.062 1.649) 3.605 2.199 ( -8.157 5.434 3.526) 10.416 2.308 ( 5.667 6.012 -1.619) 8.419 2.436 ( -0.537 7.433 8.959) 11.653 2.630 ( 0.970 3.220 1.261) 3.592 2.650 ( 0.984 8.234 -4.275) 9.330 2.697 ( -3.651 6.093 0.618) 7.130 2.754 ( -3.321 1.707 -2.476) 4.480 2.832 ( 3.562 0.642 -7.076) 7.948 2.993 ( 3.888 5.244 0.744) 6.570 3.002 ( -6.427 -0.501 0.183) 6.449 3.102 ( -1.410 -2.269 3.202) 4.170 3.161 ( 3.963 3.641 1.939) 5.720 3.255 ( 3.603 -1.461 -1.202) 4.069 3.329 ( 4.957 -0.185 -10.101) 11.254 3.446 ( -10.356 -6.394 3.258) 12.600 3.500 ( 6.765 -3.514 -3.293) 8.304 3.813 ( 4.702 2.249 3.959) 6.546 3.877 ( -0.508 -1.676 2.163) 2.783 3.916 ( 0.379 1.669 -1.936) 2.584 3.976 ( -5.143 -1.019 -4.491) 6.903 4.041 ( 2.219 0.360 2.033) 3.031 4.131 ( -3.170 -0.664 -3.795) 4.989 4.271 ( 4.548 -0.564 2.349) 5.150 4.283 ( -0.077 -2.869 6.669) 7.261 4.342 ( -1.665 -1.383 -3.728) 4.311 4.403 ( -2.035 -1.519 -3.008) 3.937 4.488 ( 0.164 -1.871 -0.032) 1.878 4.535 ( 1.071 -1.901 -2.288) 3.162 4.848 ( -2.773 0.752 1.626) 3.301 4.866 ( 1.207 -0.310 0.199) 1.262 5.069 ( -0.929 -2.255 2.670) 3.616 5.104 ( 0.643 -1.333 -0.658) 1.620 5.371 ( 1.304 -2.452 4.084) 4.939 5.457 ( -0.856 -2.872 -4.545) 5.444 5.631 ( -4.203 -0.640 3.619) 5.583 5.698 ( 4.450 -2.053 -3.215) 5.861 5.862 ( 1.688 -8.903 2.980) 9.539 5.918 ( -0.803 -7.506 -2.721) 8.024 6.104 ( -1.963 -4.194 8.731) 9.883 6.254 ( -2.161 -5.486 -4.109) 7.187 6.283 ( 3.999 2.750 -1.076) 4.971 6.345 ( -0.307 -2.046 0.956) 2.279 6.395 ( 3.280 -3.579 4.821) 6.842 6.543 ( -3.555 -3.868 -1.705) 5.523 6.651 ( 1.207 1.241 1.299) 2.164 6.736 ( -0.127 3.268 -3.938) 5.119 6.871 ( -0.452 -4.337 0.971) 4.468 6.914 ( -1.499 0.188 -0.773) 1.697 6.976 ( 2.218 -3.059 -0.203) 3.784 7.028 ( 1.111 1.169 -4.769) 5.034 7.215 ( 1.814 0.834 4.398) 4.830 7.286 ( -3.076 0.205 -2.937) 4.258 7.428 ( 1.151 -1.356 3.033) 3.516 7.476 ( -0.190 -0.922 -0.950) 1.337 7.614 ( -1.324 -0.150 3.244) 3.507 7.684 ( 0.399 1.315 -2.828) 3.144 7.756 ( -0.997 2.255 2.244) 3.334 7.814 ( 0.952 1.055 -3.093) 3.404 7.916 ( -0.045 -1.745 2.518) 3.064 7.954 ( 0.815 -1.127 -1.171) 1.818 8.047 ( 1.075 -0.077 0.493) 1.185 8.061 ( -0.015 -0.039 -0.405) 0.407 8.210 ( -3.791 -1.688 1.225) 4.326 8.235 ( 2.294 -0.094 -1.428) 2.704 8.343 ( 1.266 0.922 0.474) 1.636 8.360 ( -1.253 0.289 -0.793) 1.511 8.451 ( 3.364 -0.117 0.087) 3.367 8.463 ( -2.802 0.294 -0.957) 2.975 8.684 ( -2.609 -1.284 2.518) 3.847 8.720 ( 2.964 -0.829 -1.108) 3.271 8.911 ( 0.859 3.251 0.150) 3.366 8.936 ( -2.160 2.562 -2.300) 4.064 9.234 ( 1.225 -1.893 1.752) 2.855 9.255 ( -0.697 -1.802 -0.451) 1.984 12.853 ( 0.333 12.581 3.398) 13.036 12.946 ( -0.090 11.853 -6.396) 13.469 14.003 ( -0.723 -6.476 4.076) 7.686 14.086 ( 0.866 -8.196 -4.348) 9.318 17.048 ( 0.777 1.107 3.360) 3.622 17.083 ( 3.702 3.014 2.478) 5.378 17.118 ( 0.296 -0.293 -1.913) 1.958 17.159 ( -7.263 1.010 -2.881) 7.879 17.266 ( -2.554 3.686 5.415) 7.030 17.299 ( -5.354 4.982 4.028) 8.349 17.406 ( 4.388 3.279 -5.172) 7.534 17.421 ( 1.824 3.847 -8.193) 9.233 17.818 ( -0.181 -3.870 5.205) 6.489 17.844 ( -1.279 -4.572 3.482) 5.888 17.879 ( 5.355 -4.025 -0.554) 6.722 17.945 ( -1.525 -6.072 -2.266) 6.658 18.085 ( -1.120 -1.506 -0.377) 1.915 18.091 ( 1.330 -2.049 -1.391) 2.811 18.132 ( 0.422 -0.059 2.385) 2.423 18.188 ( 0.122 -1.325 -2.700) 3.010 18.784 ( 0.993 1.609 0.018) 1.891 18.787 ( -0.501 1.239 -0.296) 1.369 19.061 ( -3.037 -4.438 3.846) 6.611 19.143 ( 3.667 -5.005 -4.393) 7.602 19.503 ( 2.764 0.719 3.365) 4.414 19.571 ( -3.642 -2.726 -3.625) 5.817 19.763 ( -1.168 -4.016 4.644) 6.250 19.838 ( 1.273 -4.984 -3.084) 5.997 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -2.275 10.125 -12.657) 16.367 1.397 ( 3.511 6.597 -10.254) 12.688 1.408 ( 6.584 10.701 3.195) 12.964 1.799 ( 9.660 15.157 19.890) 26.808 1.917 ( -9.632 -2.071 -1.948) 10.043 2.152 ( -0.019 9.022 9.613) 13.184 2.167 ( -0.367 0.258 1.627) 1.687 2.360 ( 1.200 9.319 -1.389) 9.498 2.467 ( -2.233 8.739 3.155) 9.556 2.544 ( -2.697 8.299 -3.973) 9.588 2.647 ( -2.300 -1.977 -4.655) 5.556 2.741 ( 2.178 1.836 0.979) 3.012 2.750 ( 3.133 9.908 11.945) 15.833 2.841 ( -0.370 -3.218 -0.631) 3.300 2.900 ( -0.004 5.870 -6.101) 8.467 3.005 ( -5.408 -3.344 4.865) 8.006 3.127 ( -1.924 0.742 -3.536) 4.093 3.201 ( 3.930 -1.345 -3.070) 5.165 3.243 ( -2.031 -1.095 -0.995) 2.513 3.261 ( 3.963 2.750 -5.240) 7.122 3.405 ( 1.262 -5.035 -0.808) 5.253 3.625 ( 3.767 0.214 1.512) 4.064 3.720 ( -7.489 -0.323 -5.658) 9.392 3.889 ( 0.880 3.774 0.974) 3.996 3.901 ( -0.521 -2.536 -0.763) 2.699 3.990 ( -3.073 3.256 0.416) 4.497 4.007 ( 1.367 -1.981 4.108) 4.761 4.135 ( 0.176 -3.444 1.911) 3.943 4.239 ( -2.233 1.657 -6.766) 7.315 4.322 ( -0.882 -3.645 1.733) 4.132 4.337 ( -0.238 -1.396 -2.242) 2.652 4.390 ( 2.444 -0.730 5.860) 6.391 4.466 ( -1.037 -2.426 -0.320) 2.658 4.581 ( 3.832 -0.147 -0.789) 3.915 4.814 ( -2.031 0.257 2.222) 3.022 4.885 ( -0.884 -2.006 0.222) 2.203 5.034 ( -1.060 0.153 1.495) 1.839 5.177 ( 4.083 -2.142 -1.076) 4.734 5.388 ( -0.844 -2.274 -3.921) 4.611 5.446 ( 1.999 -3.085 3.620) 5.160 5.547 ( -6.174 0.154 1.174) 6.286 5.736 ( 1.333 0.143 -1.708) 2.172 5.867 ( 0.376 -8.009 -2.120) 8.293 5.911 ( -0.073 -7.067 0.515) 7.086 6.124 ( -6.823 -9.691 6.613) 13.572 6.155 ( -2.413 2.075 2.290) 3.921 6.209 ( -3.625 -1.538 -5.794) 7.005 6.367 ( -2.578 -3.587 -6.716) 8.038 6.416 ( 1.783 0.084 0.033) 1.786 6.602 ( 5.378 -2.798 5.392) 8.113 6.675 ( -0.283 -1.476 -6.254) 6.432 6.716 ( 1.657 2.150 3.733) 4.615 6.879 ( -0.756 -5.847 1.468) 6.075 6.900 ( 0.314 -2.061 0.994) 2.310 6.940 ( -2.543 2.628 -3.524) 5.078 7.050 ( 3.615 1.404 -0.663) 3.935 7.218 ( -0.189 1.407 -2.766) 3.109 7.307 ( 2.424 -0.389 4.481) 5.110 7.453 ( 0.197 -0.007 -3.064) 3.070 7.469 ( -0.011 -2.881 0.811) 2.993 7.630 ( -1.249 1.042 4.477) 4.763 7.668 ( 0.850 1.617 -2.619) 3.193 7.753 ( -1.489 1.366 2.355) 3.103 7.815 ( 1.981 1.721 -1.983) 3.289 7.928 ( 0.338 -2.121 -0.543) 2.215 7.976 ( 1.135 -1.300 -1.529) 2.306 8.033 ( -0.586 0.839 -0.737) 1.261 8.073 ( 1.403 -0.569 -0.195) 1.527 8.166 ( -1.965 -2.565 2.073) 3.839 8.242 ( -0.701 1.854 0.064) 1.983 8.339 ( -1.535 -0.773 0.766) 1.881 8.371 ( -0.737 2.591 -0.946) 2.855 8.408 ( 1.168 -0.102 -1.119) 1.621 8.522 ( 3.132 -0.864 0.167) 3.253 8.644 ( -3.408 -0.384 1.295) 3.665 8.744 ( 1.141 -1.925 -2.096) 3.066 8.895 ( -0.579 3.642 0.224) 3.694 8.953 ( 1.757 2.034 2.515) 3.681 9.224 ( -1.126 -1.648 -1.299) 2.382 9.269 ( 0.852 -1.985 0.212) 2.170 12.845 ( -2.737 12.109 -0.686) 12.434 12.905 ( -0.350 13.227 0.387) 13.237 14.031 ( 0.355 -8.406 1.693) 8.582 14.100 ( 3.628 -7.450 -1.840) 8.488 17.003 ( -3.407 -0.292 -0.975) 3.556 17.020 ( -2.093 0.254 -1.012) 2.338 17.191 ( 3.807 0.360 2.521) 4.580 17.218 ( 1.444 2.232 5.315) 5.943 17.243 ( -5.312 2.673 5.716) 8.248 17.357 ( 6.200 3.206 6.212) 9.344 17.382 ( 1.854 3.062 -5.713) 6.741 17.435 ( 2.996 4.625 -4.204) 6.931 17.749 ( -5.020 -6.011 0.623) 7.856 17.764 ( -7.855 -6.796 -4.457) 11.303 17.937 ( 3.536 -2.256 -2.270) 4.770 17.963 ( -0.091 -1.757 1.687) 2.437 18.058 ( -0.486 -3.000 -0.208) 3.046 18.107 ( 0.154 -1.852 -1.229) 2.229 18.156 ( 0.454 -0.821 0.237) 0.968 18.161 ( -0.237 -0.460 -0.733) 0.897 18.779 ( 0.585 0.955 -0.584) 1.263 18.817 ( 2.227 1.336 -0.325) 2.617 19.016 ( -4.981 -3.229 3.146) 6.718 19.122 ( -1.137 -4.207 -3.995) 5.912 19.470 ( -1.572 -2.621 -0.905) 3.188 19.640 ( 4.967 0.861 2.446) 5.603 19.738 ( -3.550 -5.266 1.987) 6.655 19.852 ( 1.613 -3.077 -2.204) 4.115 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 15.062 2.624 -5.750) 16.334 1.451 ( 13.169 4.985 -6.226) 15.396 1.559 ( -5.978 7.096 5.094) 10.585 1.781 ( 2.938 2.149 3.668) 5.168 2.064 ( -0.197 12.358 16.776) 20.837 2.149 ( -4.040 2.721 5.036) 7.006 2.209 ( 2.011 -1.597 0.356) 2.593 2.326 ( -10.902 10.328 8.176) 17.099 2.442 ( 0.924 10.334 -8.151) 13.194 2.485 ( -0.051 3.578 -2.250) 4.227 2.509 ( -7.847 -6.277 0.920) 10.091 2.709 ( -4.356 -1.117 -2.795) 5.295 2.778 ( 1.669 8.913 -10.408) 13.804 2.838 ( -1.633 -4.123 -1.334) 4.631 2.919 ( -4.258 1.903 -0.722) 4.720 2.987 ( -2.313 4.625 -1.373) 5.350 3.089 ( 4.121 4.611 0.939) 6.255 3.188 ( 1.432 -5.887 -6.306) 8.745 3.246 ( 6.710 1.924 -0.085) 6.981 3.308 ( 0.662 2.213 1.397) 2.699 3.413 ( -0.783 -1.792 3.825) 4.296 3.638 ( 0.508 2.162 3.244) 3.932 3.702 ( 4.522 0.934 1.853) 4.975 3.861 ( -2.746 -0.154 1.772) 3.272 3.905 ( 2.159 -2.390 -0.175) 3.225 3.957 ( -3.098 -1.048 -5.117) 6.073 4.018 ( -0.931 6.397 -1.704) 6.685 4.125 ( 0.369 -0.615 0.921) 1.167 4.186 ( -1.041 1.055 1.960) 2.457 4.279 ( -1.043 -3.828 -2.693) 4.795 4.348 ( -0.621 -3.190 2.918) 4.367 4.448 ( -0.207 -1.445 -0.102) 1.463 4.504 ( 1.850 -1.578 4.684) 5.277 4.644 ( 4.149 0.963 -0.844) 4.342 4.805 ( -2.258 -1.741 0.845) 2.974 4.839 ( -3.014 -2.191 -0.501) 3.760 5.058 ( 0.981 3.511 1.818) 4.074 5.181 ( -0.473 3.032 -4.257) 5.248 5.356 ( -0.045 -2.059 -0.458) 2.110 5.495 ( 0.830 -2.935 2.640) 4.034 5.521 ( 1.938 -4.047 2.043) 4.930 5.719 ( -1.702 1.950 0.685) 2.677 5.885 ( -1.924 -6.033 -2.409) 6.775 5.892 ( 2.062 -8.178 -0.079) 8.434 5.996 ( -6.984 -8.296 -0.325) 10.849 6.097 ( -0.765 -5.054 -4.051) 6.522 6.214 ( -2.640 -1.720 -7.509) 8.144 6.231 ( 0.245 0.749 10.385) 10.415 6.423 ( -1.681 -3.307 -5.164) 6.358 6.601 ( -1.724 -0.046 -1.609) 2.359 6.716 ( 3.746 0.607 0.756) 3.869 6.796 ( 2.061 -1.071 2.901) 3.717 6.867 ( -1.148 3.923 -2.149) 4.618 6.889 ( 0.599 -3.619 1.795) 4.083 6.928 ( 0.089 -1.033 1.801) 2.078 7.086 ( 0.961 3.244 -3.496) 4.865 7.236 ( 3.509 2.522 0.079) 4.322 7.378 ( 1.530 -3.363 1.149) 3.869 7.432 ( 0.152 2.692 -1.957) 3.332 7.447 ( -1.722 -2.444 0.159) 2.994 7.638 ( -2.443 2.317 3.893) 5.147 7.667 ( 1.358 1.066 -1.854) 2.533 7.755 ( -0.837 0.811 2.752) 2.988 7.847 ( 2.579 2.463 -1.330) 3.806 7.911 ( -1.064 -3.659 -1.190) 3.992 7.953 ( 0.014 -1.337 -1.008) 1.674 8.066 ( 2.292 0.362 0.178) 2.327 8.108 ( 3.370 -1.370 -1.473) 3.925 8.149 ( -2.001 -1.019 0.804) 2.385 8.222 ( -1.796 2.121 0.461) 2.817 8.285 ( -3.916 -0.251 1.938) 4.376 8.343 ( 0.260 0.867 -3.224) 3.349 8.453 ( 2.479 0.603 0.794) 2.672 8.562 ( -0.200 -0.683 0.652) 0.965 8.592 ( -1.449 0.077 -0.300) 1.482 8.721 ( -0.658 -2.068 -3.030) 3.727 8.920 ( 1.387 3.103 2.589) 4.273 9.013 ( 0.991 1.403 3.007) 3.463 9.193 ( -0.304 -1.186 -1.380) 1.844 9.270 ( -0.227 -1.688 -1.185) 2.075 12.805 ( -0.734 11.973 0.244) 11.998 12.888 ( -1.812 13.507 -0.005) 13.628 14.065 ( 1.968 -10.132 1.160) 10.386 14.150 ( 1.722 -8.095 -0.140) 8.278 16.977 ( 1.084 -1.305 0.448) 1.754 17.019 ( 1.956 -1.904 0.526) 2.779 17.195 ( -4.561 2.046 3.925) 6.356 17.205 ( -4.557 1.031 4.910) 6.778 17.324 ( 2.742 0.443 -0.341) 2.798 17.344 ( 0.325 1.492 -2.466) 2.900 17.396 ( -2.996 1.538 -1.761) 3.800 17.547 ( -4.997 -6.764 -9.185) 12.453 17.595 ( 8.100 1.508 7.300) 11.008 17.723 ( 1.338 -2.993 2.466) 4.102 17.952 ( -1.205 0.086 0.916) 1.516 17.962 ( -0.478 -1.912 0.287) 1.991 18.036 ( -0.934 -2.155 -2.795) 3.651 18.067 ( -0.104 -2.880 -5.507) 6.215 18.148 ( 0.322 -0.996 -0.203) 1.066 18.174 ( -0.670 0.137 1.517) 1.664 18.801 ( 2.225 -0.315 -0.195) 2.256 18.862 ( 3.019 0.467 -0.489) 3.093 18.954 ( -4.011 -1.540 2.019) 4.747 19.037 ( -3.753 -1.655 -2.734) 4.929 19.486 ( 2.470 -2.466 1.719) 3.891 19.697 ( -1.182 -4.487 2.630) 5.334 19.721 ( -0.908 0.857 0.853) 1.513 19.833 ( 0.263 -2.343 -3.704) 4.391 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -14.033 1.348 4.340) 14.750 1.491 ( 14.583 -6.213 -8.533) 18.002 1.794 ( 17.321 5.852 6.523) 19.412 1.893 ( -12.880 5.007 -1.920) 13.951 2.070 ( 1.664 10.972 8.094) 13.736 2.191 ( 2.588 0.952 6.018) 6.620 2.223 ( -6.299 1.743 5.285) 8.405 2.235 ( -3.476 0.554 2.303) 4.207 2.348 ( -0.782 -1.807 -0.411) 2.011 2.407 ( -0.279 1.159 -5.165) 5.301 2.510 ( -3.601 8.518 3.110) 9.757 2.570 ( -2.255 6.040 2.026) 6.758 2.690 ( -3.378 5.714 -2.407) 7.061 2.804 ( 0.885 -1.117 -2.107) 2.544 2.819 ( -0.053 8.194 -8.672) 11.931 2.884 ( 4.120 1.903 -7.392) 8.674 3.105 ( -3.686 -2.574 0.448) 4.518 3.165 ( 2.957 -2.942 -4.662) 6.256 3.324 ( -1.541 2.405 2.503) 3.798 3.363 ( 2.925 2.692 -0.840) 4.063 3.573 ( 5.643 -1.152 8.564) 10.320 3.700 ( 2.717 -1.107 0.380) 2.958 3.778 ( -8.529 1.485 -1.597) 8.804 3.817 ( 4.844 -2.123 0.030) 5.289 3.828 ( -1.516 -1.053 0.823) 2.021 3.922 ( 1.442 7.462 -6.274) 9.856 4.065 ( 4.814 -0.946 2.611) 5.557 4.124 ( -3.355 -1.334 -2.749) 4.537 4.203 ( -1.078 2.496 5.181) 5.851 4.264 ( 3.313 0.934 -2.048) 4.005 4.356 ( -2.058 -3.700 4.215) 5.974 4.438 ( 1.075 -1.669 -3.015) 3.610 4.571 ( 0.569 -1.468 5.035) 5.275 4.661 ( -2.728 -1.068 -4.057) 5.004 4.763 ( 2.119 -1.291 0.406) 2.514 4.778 ( -2.836 -1.254 -0.868) 3.220 5.101 ( 1.025 5.151 1.869) 5.574 5.125 ( -1.840 6.218 -1.672) 6.697 5.415 ( 4.357 -1.997 4.213) 6.381 5.478 ( -4.636 -3.637 -1.995) 6.221 5.601 ( 2.951 -4.748 5.393) 7.768 5.724 ( -1.769 -6.154 -4.427) 7.785 5.805 ( 0.852 -3.570 1.516) 3.971 5.841 ( -4.172 -3.860 -1.523) 5.885 5.990 ( 3.388 -3.901 2.480) 5.732 6.070 ( -3.307 -5.917 -7.230) 9.910 6.121 ( 2.202 -7.972 3.789) 9.097 6.268 ( -3.481 -7.053 -10.739) 13.311 6.414 ( 4.165 3.961 11.839) 13.161 6.562 ( -1.261 1.402 -1.644) 2.502 6.762 ( -2.932 0.597 -1.052) 3.172 6.802 ( 1.895 3.534 -1.908) 4.441 6.876 ( 2.248 -3.208 -0.088) 3.918 6.901 ( 0.852 -3.210 -0.400) 3.345 6.966 ( 0.405 4.593 3.414) 5.737 7.037 ( -1.350 4.884 -3.848) 6.363 7.304 ( 0.994 0.612 2.225) 2.513 7.373 ( -1.327 1.837 -4.262) 4.827 7.414 ( -0.000 -2.646 2.188) 3.433 7.441 ( 0.504 -0.757 -0.493) 1.035 7.621 ( -3.235 1.958 3.989) 5.496 7.687 ( 2.980 1.455 -2.543) 4.179 7.776 ( -0.734 1.185 3.822) 4.068 7.851 ( 0.706 0.780 -3.692) 3.839 7.908 ( 0.146 -2.424 1.684) 2.955 7.943 ( -0.017 -1.676 -1.450) 2.216 8.095 ( -1.208 -1.791 0.290) 2.180 8.114 ( 0.807 -1.564 -0.980) 2.014 8.159 ( -0.447 2.066 0.936) 2.312 8.186 ( 0.847 2.081 -1.395) 2.644 8.259 ( -1.595 -0.667 3.023) 3.483 8.322 ( 1.678 -0.721 -3.609) 4.045 8.508 ( 0.663 1.367 1.388) 2.058 8.523 ( -0.708 0.192 -0.560) 0.923 8.607 ( 0.668 -1.124 2.023) 2.409 8.668 ( -1.136 -1.338 -3.596) 4.002 8.982 ( 1.587 1.824 3.273) 4.069 9.025 ( -1.187 1.726 -0.451) 2.143 9.199 ( 0.909 -0.958 1.188) 1.777 9.239 ( -1.038 -1.235 -2.295) 2.805 12.819 ( 0.471 12.346 1.540) 12.450 12.851 ( -0.090 13.040 -1.705) 13.151 14.099 ( -2.889 -9.198 3.697) 10.326 14.170 ( 3.786 -10.889 -3.374) 12.012 17.047 ( 3.479 -1.108 3.632) 5.150 17.085 ( 0.091 -1.445 2.833) 3.182 17.123 ( -2.698 0.510 -2.259) 3.556 17.142 ( -1.216 0.384 -1.644) 2.080 17.278 ( -4.533 -2.148 5.533) 7.468 17.306 ( -5.503 -1.233 4.067) 6.953 17.392 ( 3.712 0.440 -4.754) 6.048 17.449 ( 3.305 -2.382 -8.755) 9.656 17.785 ( 4.469 1.626 6.712) 8.226 17.813 ( 0.378 -1.401 4.876) 5.087 17.917 ( -1.523 1.481 -1.645) 2.687 17.945 ( -1.191 0.063 0.477) 1.285 17.974 ( -1.085 -3.742 -4.715) 6.116 18.018 ( 1.428 -3.479 -5.322) 6.516 18.162 ( -0.250 -0.543 0.838) 1.030 18.168 ( 0.169 -0.983 0.284) 1.037 18.857 ( 2.644 -1.696 0.961) 3.285 18.868 ( -3.106 -2.051 0.247) 3.730 18.944 ( -3.200 0.570 -0.720) 3.329 18.953 ( 4.010 0.453 -1.334) 4.250 19.582 ( 3.841 -1.968 3.521) 5.569 19.646 ( -4.175 1.063 -2.896) 5.191 19.716 ( -0.987 -4.678 4.888) 6.837 19.809 ( 1.110 -2.127 -4.453) 5.058 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -12.880 4.267 4.883) 14.420 1.432 ( -21.543 11.284 -3.853) 24.623 1.675 ( 10.138 -3.363 -6.371) 12.437 1.892 ( -5.777 1.387 -5.602) 8.165 2.095 ( -6.762 2.354 6.814) 9.884 2.212 ( -2.587 7.367 5.493) 9.547 2.281 ( 2.403 5.705 3.079) 6.913 2.290 ( -0.611 2.253 -1.751) 2.918 2.374 ( 0.710 4.863 2.501) 5.515 2.432 ( 9.355 5.772 3.430) 11.515 2.540 ( 2.740 4.284 0.604) 5.121 2.623 ( 4.934 5.696 2.805) 8.041 2.692 ( 3.551 2.965 3.414) 5.749 2.784 ( 3.264 2.998 -3.234) 5.486 2.909 ( 8.880 -0.472 1.502) 9.019 2.946 ( 5.980 1.928 -2.181) 6.651 3.044 ( -4.078 -3.045 3.738) 6.315 3.161 ( -0.567 -3.107 -3.119) 4.439 3.275 ( -5.507 3.408 -1.161) 6.579 3.366 ( 0.053 5.645 -3.216) 6.497 3.562 ( -2.810 -3.012 -8.236) 9.208 3.617 ( -5.842 -3.032 2.961) 7.217 3.784 ( 1.833 2.908 -3.210) 4.703 3.863 ( 3.198 2.619 2.698) 4.936 3.882 ( 0.840 0.090 0.898) 1.233 3.948 ( 1.957 -1.067 -2.569) 3.401 3.986 ( 0.082 1.724 -2.847) 3.329 4.109 ( -1.370 0.179 -0.327) 1.420 4.222 ( 0.870 -2.634 2.683) 3.859 4.301 ( 0.776 1.198 -4.287) 4.518 4.359 ( -0.556 -2.429 2.773) 3.728 4.469 ( 3.479 -2.020 -2.338) 4.653 4.539 ( -3.417 -1.130 0.179) 3.603 4.623 ( -4.191 -0.891 1.864) 4.673 4.776 ( 3.974 -1.560 2.058) 4.739 4.830 ( 2.705 -1.830 0.991) 3.413 5.064 ( -2.984 6.201 -0.052) 6.881 5.133 ( 0.153 4.231 1.309) 4.432 5.363 ( -3.651 -2.978 -0.901) 4.797 5.550 ( 2.827 -4.102 -0.730) 5.035 5.572 ( -5.000 -5.992 -3.840) 8.698 5.696 ( 2.967 -3.040 5.980) 7.335 5.808 ( 0.326 -1.845 1.233) 2.243 5.900 ( 2.089 -9.629 1.501) 9.967 5.966 ( 0.303 -6.401 -1.683) 6.626 6.089 ( -2.771 -6.632 -3.812) 8.136 6.111 ( 2.479 -0.522 4.389) 5.068 6.238 ( 3.088 -9.671 5.610) 11.599 6.496 ( 1.400 4.765 -9.549) 10.763 6.597 ( 4.445 0.849 2.432) 5.137 6.678 ( -4.476 1.720 3.712) 6.064 6.828 ( 1.269 -1.560 -1.647) 2.600 6.861 ( -0.428 3.904 -1.850) 4.341 6.933 ( 0.958 -1.953 -2.254) 3.133 6.967 ( -2.187 4.264 -1.801) 5.119 7.006 ( 0.230 2.015 3.754) 4.267 7.276 ( -3.947 3.090 -3.376) 6.044 7.326 ( -0.603 -2.083 3.406) 4.038 7.431 ( -0.712 1.203 0.706) 1.566 7.459 ( 1.864 -2.110 -1.098) 3.022 7.603 ( -2.396 1.125 3.636) 4.497 7.714 ( 2.419 2.346 -3.276) 4.699 7.777 ( -2.699 2.128 2.247) 4.106 7.839 ( 1.110 -1.550 -1.813) 2.631 7.914 ( -0.809 -0.229 0.252) 0.878 7.939 ( 1.230 -4.269 -0.835) 4.521 8.065 ( -1.546 -1.964 0.908) 2.659 8.080 ( -3.574 0.094 0.096) 3.576 8.166 ( 2.218 -0.364 -0.599) 2.326 8.226 ( 1.947 1.387 0.059) 2.391 8.280 ( 0.671 1.007 2.471) 2.751 8.336 ( 2.981 -1.371 -2.839) 4.339 8.464 ( -2.567 0.513 -0.396) 2.647 8.578 ( 2.229 0.653 1.107) 2.573 8.604 ( -0.643 -0.702 -2.797) 2.954 8.654 ( 0.510 -1.450 3.017) 3.386 8.974 ( -1.913 2.710 -2.368) 4.075 9.035 ( 0.654 1.198 1.214) 1.827 9.187 ( -1.356 -1.092 -1.052) 2.034 9.240 ( 0.924 -1.035 1.561) 2.089 12.809 ( -0.679 12.336 -0.087) 12.355 12.898 ( 4.681 12.678 -0.988) 13.551 14.043 ( -4.667 -7.881 2.191) 9.417 14.201 ( 1.753 -12.135 -3.899) 12.865 17.004 ( -2.370 0.108 -2.004) 3.106 17.039 ( -2.652 -0.161 -1.301) 2.959 17.181 ( 1.050 1.348 4.649) 4.953 17.224 ( 4.818 1.658 1.419) 5.289 17.255 ( -3.961 -0.892 5.060) 6.487 17.331 ( 3.630 -2.599 7.311) 8.567 17.409 ( 2.722 -1.149 -2.384) 3.796 17.446 ( 3.456 0.028 -5.752) 6.710 17.723 ( -6.297 2.782 -4.657) 8.311 17.827 ( -2.337 -0.303 -7.305) 7.675 17.901 ( -2.930 -5.425 5.846) 8.496 17.951 ( 2.661 -0.713 3.497) 4.452 17.997 ( 2.720 -1.912 0.119) 3.327 18.017 ( 3.081 -1.853 -2.703) 4.498 18.148 ( -0.857 -0.597 0.122) 1.051 18.193 ( 1.339 -0.917 -0.144) 1.630 18.803 ( -2.478 -0.770 -0.354) 2.619 18.856 ( -3.051 0.802 0.114) 3.157 18.962 ( 3.854 -2.222 1.758) 4.783 19.024 ( 4.439 -0.541 -2.134) 4.955 19.524 ( -4.001 0.337 -1.962) 4.469 19.692 ( 1.977 -2.431 2.018) 3.726 19.734 ( -1.875 -3.782 3.201) 5.298 19.797 ( 2.588 -3.810 -2.783) 5.381 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.876 16.386 8.466) 18.667 1.176 ( -7.037 12.029 7.215) 15.693 1.599 ( -5.492 5.150 -11.122) 13.431 1.898 ( 7.022 -2.355 1.102) 7.488 2.066 ( -8.487 15.507 11.539) 21.110 2.144 ( -5.700 3.915 -8.864) 11.242 2.234 ( 0.657 7.969 -2.967) 8.529 2.276 ( -1.576 2.187 0.876) 2.835 2.384 ( -3.136 4.392 6.193) 8.214 2.560 ( 1.083 0.677 5.027) 5.187 2.658 ( 8.317 10.555 -8.186) 15.735 2.721 ( -0.383 8.817 3.433) 9.469 2.800 ( 2.856 0.555 0.560) 2.962 2.856 ( 3.970 -1.542 -0.838) 4.341 2.955 ( -1.632 6.216 0.034) 6.427 3.049 ( -0.276 1.697 4.540) 4.854 3.071 ( -0.806 -3.590 -5.640) 6.734 3.109 ( 4.589 -2.822 -1.194) 5.518 3.189 ( 0.140 -0.930 4.372) 4.472 3.302 ( 0.568 3.518 -5.729) 6.747 3.498 ( 1.582 -6.663 -9.085) 11.377 3.558 ( -3.310 -0.754 6.184) 7.054 3.736 ( -0.170 5.302 -4.029) 6.662 3.863 ( -1.086 3.660 0.845) 3.910 3.915 ( 0.922 -2.550 -0.519) 2.761 3.962 ( 2.550 -1.869 2.403) 3.971 4.097 ( 4.910 1.170 -0.449) 5.068 4.110 ( 1.358 -1.073 -0.878) 1.941 4.232 ( -0.833 0.111 -4.121) 4.206 4.255 ( -1.151 -4.187 3.001) 5.278 4.373 ( 0.440 -2.312 -0.812) 2.490 4.454 ( -1.411 -1.794 -0.629) 2.367 4.511 ( -0.643 -1.678 -3.847) 4.246 4.558 ( -2.505 -0.736 1.427) 2.975 4.845 ( 1.017 -0.260 -0.373) 1.114 4.867 ( 0.276 -1.642 1.453) 2.211 5.035 ( -0.446 3.376 1.239) 3.623 5.137 ( -1.789 0.197 2.194) 2.838 5.331 ( -0.757 -3.253 1.892) 3.838 5.505 ( -0.831 -3.725 -1.128) 3.980 5.559 ( 3.811 -4.821 -0.467) 6.163 5.739 ( -2.496 -1.904 -2.801) 4.207 5.827 ( 0.373 -5.063 1.490) 5.290 5.930 ( 1.320 -7.027 -0.590) 7.174 6.032 ( 0.413 -5.957 7.584) 9.652 6.108 ( 5.822 -7.483 7.910) 12.347 6.217 ( 2.823 -1.838 3.597) 4.928 6.323 ( 2.058 -5.554 -3.038) 6.656 6.438 ( 1.071 2.379 -3.300) 4.207 6.591 ( -3.512 1.835 -2.182) 4.523 6.671 ( -0.379 -1.404 0.088) 1.457 6.787 ( -1.665 3.725 -3.035) 5.086 6.877 ( -0.054 -1.166 -0.442) 1.248 6.909 ( 1.852 4.171 0.178) 4.567 6.952 ( 0.380 -2.137 -0.688) 2.277 7.035 ( 0.171 -1.357 0.885) 1.629 7.189 ( -1.827 2.848 -0.868) 3.493 7.356 ( -0.582 -2.128 1.081) 2.456 7.396 ( -1.681 2.938 0.394) 3.408 7.479 ( 0.298 -2.620 0.505) 2.685 7.607 ( -1.072 0.462 3.093) 3.306 7.709 ( 0.489 1.960 -3.139) 3.733 7.752 ( -1.548 1.695 2.268) 3.227 7.832 ( 0.631 -0.208 -2.961) 3.035 7.903 ( -0.917 -0.576 1.510) 1.858 7.955 ( 0.399 -3.879 -0.087) 3.900 8.034 ( -0.514 -0.464 -0.404) 0.802 8.058 ( -0.512 -1.112 1.222) 1.730 8.201 ( 2.566 -1.106 -1.489) 3.166 8.245 ( -0.414 0.750 0.293) 0.905 8.317 ( 0.547 1.145 1.735) 2.149 8.379 ( 3.571 -0.191 -0.903) 3.689 8.410 ( -2.198 0.064 -1.143) 2.478 8.534 ( -2.927 -0.261 -1.263) 3.199 8.658 ( 3.929 0.245 -0.226) 3.943 8.687 ( -0.876 -2.017 3.546) 4.173 8.921 ( -0.808 3.865 -2.139) 4.491 9.009 ( -2.113 1.437 -2.756) 3.758 9.189 ( 0.920 -1.385 1.940) 2.555 9.262 ( -0.055 -1.515 0.883) 1.755 12.815 ( 0.658 12.235 1.382) 12.330 12.966 ( 4.296 11.842 -4.579) 13.404 13.996 ( -2.605 -7.038 2.947) 8.063 14.148 ( -2.036 -9.771 -4.364) 10.894 16.989 ( 1.729 1.019 0.093) 2.009 17.011 ( 1.196 1.341 -0.593) 1.893 17.184 ( -4.695 -0.288 3.463) 5.841 17.227 ( -3.564 1.016 6.573) 7.546 17.323 ( 2.948 5.184 -0.550) 5.989 17.353 ( -1.079 1.666 -5.050) 5.426 17.410 ( -1.594 2.531 -3.436) 4.556 17.527 ( -4.840 3.237 -9.083) 10.789 17.618 ( 9.031 -4.432 9.236) 13.657 17.776 ( 4.393 -3.116 -3.427) 6.383 17.886 ( -3.490 -4.894 3.708) 7.063 17.982 ( -1.548 -6.192 1.663) 6.596 18.053 ( 2.759 -1.891 -0.492) 3.381 18.076 ( 3.131 0.660 0.667) 3.269 18.131 ( -1.193 -0.166 -0.176) 1.217 18.204 ( 0.630 -1.260 -1.603) 2.135 18.774 ( -0.330 0.586 -0.129) 0.685 18.811 ( -1.808 1.415 0.222) 2.307 19.045 ( 1.139 -3.842 3.460) 5.294 19.084 ( 5.367 -2.107 -3.429) 6.708 19.464 ( -0.925 -0.267 -0.131) 0.972 19.678 ( -3.303 -2.846 -1.268) 4.541 19.730 ( -0.790 -3.553 2.982) 4.705 19.837 ( 1.971 -4.988 -1.039) 5.463 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 5.333 16.120 3.949) 17.433 1.558 ( -6.880 10.992 -1.694) 13.078 1.675 ( 14.986 18.046 7.694) 24.687 1.935 ( -12.210 8.061 -13.512) 19.916 2.068 ( 7.626 0.150 2.542) 8.040 2.108 ( -5.924 2.648 -2.263) 6.872 2.369 ( -4.530 2.765 4.888) 7.215 2.388 ( 1.890 2.184 4.127) 5.037 2.548 ( -1.716 -3.581 5.162) 6.513 2.602 ( 0.987 -4.737 0.633) 4.880 2.688 ( -2.871 -3.121 -0.448) 4.264 2.737 ( -1.037 -0.881 -1.144) 1.778 2.801 ( -0.554 1.371 2.399) 2.818 2.922 ( -5.138 5.330 3.760) 8.303 2.977 ( 1.141 6.998 -7.698) 10.465 3.027 ( 1.583 -2.082 -4.541) 5.240 3.182 ( 4.593 2.554 0.400) 5.270 3.195 ( -1.547 5.733 -2.049) 6.282 3.303 ( 2.041 -1.211 4.695) 5.260 3.347 ( 6.701 3.376 1.498) 7.652 3.388 ( 0.464 3.635 -2.529) 4.453 3.460 ( -3.940 3.184 -9.336) 10.622 3.839 ( 1.763 -0.890 5.582) 5.921 3.880 ( -0.251 1.199 -0.249) 1.250 3.913 ( 1.309 0.818 1.481) 2.139 4.000 ( -3.361 -1.272 -4.936) 6.105 4.060 ( 0.330 2.291 3.820) 4.466 4.098 ( -4.416 -2.165 1.544) 5.154 4.225 ( 2.281 -4.352 -2.310) 5.429 4.237 ( 1.209 -5.832 -1.639) 6.177 4.254 ( 0.619 -2.464 3.977) 4.719 4.368 ( -3.974 -1.551 -2.727) 5.063 4.467 ( 1.642 0.370 1.869) 2.515 4.528 ( 0.982 1.942 -2.827) 3.568 4.805 ( -1.260 -4.579 1.125) 4.880 4.825 ( 0.886 -3.577 -0.780) 3.767 5.069 ( -4.177 2.201 0.198) 4.726 5.094 ( 3.153 0.582 -1.788) 3.671 5.289 ( 1.398 -4.248 3.331) 5.576 5.354 ( -1.463 -5.604 -3.603) 6.821 5.579 ( 5.562 -7.856 3.454) 10.226 5.613 ( -3.918 -7.056 -0.480) 8.085 5.735 ( -1.257 -1.004 3.680) 4.016 5.817 ( 0.837 -2.042 -4.280) 4.816 6.067 ( -2.667 1.164 8.457) 8.944 6.133 ( 6.615 -4.152 2.187) 8.110 6.271 ( 4.714 -3.912 8.780) 10.706 6.330 ( 2.175 -0.589 2.902) 3.674 6.398 ( -3.040 3.853 -10.666) 11.741 6.459 ( -6.448 -3.715 -0.449) 7.455 6.616 ( 1.200 -3.629 -0.649) 3.877 6.772 ( -2.307 -1.820 -10.258) 10.671 6.864 ( -2.054 3.358 1.466) 4.200 6.916 ( 2.860 2.154 -3.452) 4.974 6.989 ( -3.314 1.940 4.299) 5.764 7.075 ( 4.929 2.565 -4.692) 7.273 7.232 ( 2.366 0.413 2.580) 3.525 7.272 ( -3.936 -1.970 -1.357) 4.606 7.401 ( -1.474 -1.008 1.904) 2.610 7.455 ( 1.993 -1.341 -2.909) 3.773 7.625 ( -1.495 1.474 4.912) 5.342 7.706 ( 0.516 0.765 -2.489) 2.655 7.787 ( -0.852 0.742 0.725) 1.342 7.820 ( 2.332 -0.406 -1.852) 3.005 7.895 ( -0.591 0.159 3.319) 3.375 7.945 ( 1.055 0.308 -1.796) 2.106 8.039 ( 2.182 -0.626 3.482) 4.157 8.094 ( -0.731 2.390 -1.641) 2.990 8.156 ( -3.925 -2.885 3.575) 6.042 8.231 ( 2.182 0.200 -3.699) 4.299 8.346 ( 1.333 -1.872 0.361) 2.326 8.354 ( -1.425 -0.560 -0.523) 1.618 8.462 ( 1.815 1.614 1.135) 2.681 8.484 ( -1.675 1.755 -1.153) 2.686 8.661 ( -1.786 -0.847 2.556) 3.231 8.700 ( 1.951 -1.118 -1.358) 2.627 8.980 ( 0.001 3.332 -0.584) 3.383 8.991 ( -0.779 2.698 -1.650) 3.257 9.192 ( 0.881 -2.175 1.437) 2.752 9.213 ( -0.664 -2.323 -0.768) 2.535 13.116 ( 0.693 13.019 2.367) 13.251 13.173 ( -0.390 10.763 -3.470) 11.316 13.841 ( -0.518 -9.233 2.662) 9.623 13.891 ( 0.530 -10.693 -2.427) 10.978 17.085 ( -1.713 2.273 2.707) 3.928 17.126 ( 1.502 1.144 -0.848) 2.070 17.145 ( 3.923 2.488 2.133) 5.112 17.186 ( -6.447 1.876 -0.747) 6.756 17.312 ( -0.365 0.778 4.097) 4.186 17.376 ( -5.946 1.859 1.870) 6.504 17.437 ( 1.757 0.225 -4.680) 5.004 17.477 ( 3.307 1.001 -6.671) 7.513 17.740 ( -5.353 -3.073 4.310) 7.528 17.760 ( -1.070 -3.191 4.488) 5.610 17.817 ( 5.674 -2.209 -3.178) 6.869 17.838 ( 4.357 -3.379 -2.016) 5.871 18.060 ( 2.940 -0.488 -0.492) 3.020 18.075 ( -2.485 -0.196 -1.611) 2.968 18.136 ( -0.911 0.110 1.106) 1.437 18.165 ( 0.381 -1.070 -1.786) 2.116 18.807 ( 0.249 1.156 0.613) 1.332 18.820 ( 0.065 1.728 -0.600) 1.831 18.970 ( -2.623 -4.265 3.008) 5.841 19.036 ( 2.602 -5.198 -3.559) 6.816 19.513 ( -4.944 -0.747 1.484) 5.216 19.533 ( 4.112 0.355 -0.533) 4.162 19.671 ( -3.212 -4.769 4.097) 7.060 19.739 ( 3.559 -4.446 -2.816) 6.354 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -6.649 10.676 -1.452) 12.660 1.607 ( -2.285 13.215 -12.581) 18.389 1.704 ( 9.238 15.466 1.988) 18.124 1.905 ( -10.293 1.208 -4.264) 11.206 2.059 ( 9.699 6.091 9.220) 14.703 2.169 ( 1.104 3.460 1.700) 4.010 2.293 ( -6.055 4.424 5.299) 9.182 2.457 ( -2.587 -0.068 4.616) 5.292 2.470 ( -7.830 -10.769 -2.391) 13.528 2.595 ( 0.751 -0.351 -0.602) 1.024 2.680 ( 2.102 -7.465 0.008) 7.756 2.724 ( -2.169 1.743 5.665) 6.312 2.850 ( -5.132 11.465 5.672) 13.782 2.909 ( -3.913 -1.468 -0.056) 4.180 2.940 ( 5.134 -3.269 -0.655) 6.122 3.030 ( 1.116 6.742 6.098) 9.159 3.110 ( -2.743 1.698 -8.406) 9.004 3.177 ( 4.092 3.424 -5.615) 7.746 3.293 ( -0.046 5.051 -2.705) 5.730 3.339 ( -1.927 1.171 -2.849) 3.633 3.412 ( 4.052 7.325 -2.557) 8.753 3.604 ( 8.064 -0.469 0.354) 8.085 3.786 ( -3.815 4.232 1.456) 5.881 3.878 ( -0.501 -1.199 -2.905) 3.183 3.923 ( -1.077 0.477 -3.153) 3.365 3.980 ( 0.127 -3.053 6.779) 7.436 4.040 ( -2.607 4.060 1.948) 5.203 4.112 ( -0.679 0.730 5.743) 5.829 4.180 ( -0.306 -7.301 -2.798) 7.825 4.253 ( 0.849 -5.853 -0.370) 5.926 4.288 ( -0.585 -0.254 -4.519) 4.564 4.351 ( 1.222 -2.976 6.585) 7.329 4.466 ( -0.804 2.810 -1.172) 3.149 4.572 ( 4.585 -0.388 -1.646) 4.886 4.778 ( -2.177 -3.982 1.388) 4.746 4.827 ( -0.411 -3.407 -1.609) 3.790 5.038 ( -0.331 0.883 3.326) 3.457 5.166 ( 5.253 1.198 -0.784) 5.444 5.302 ( -0.184 -4.831 -2.513) 5.449 5.357 ( 2.162 -4.561 2.891) 5.817 5.510 ( -4.092 -4.736 -3.526) 7.184 5.657 ( 0.837 -9.212 0.161) 9.251 5.772 ( 0.776 -2.495 3.484) 4.354 5.812 ( 2.057 -0.837 -2.801) 3.575 5.988 ( -8.709 -1.899 -0.820) 8.951 6.174 ( -1.198 0.523 -10.607) 10.687 6.240 ( -3.475 3.860 5.594) 7.634 6.292 ( -2.726 -3.685 -8.186) 9.382 6.405 ( 2.516 -0.447 2.120) 3.320 6.541 ( 6.674 -2.358 9.327) 11.709 6.628 ( -1.035 -4.181 -7.414) 8.575 6.696 ( -0.020 -4.390 8.626) 9.679 6.831 ( -2.675 3.111 2.344) 4.725 6.923 ( 1.319 2.024 -2.595) 3.546 6.975 ( -2.371 1.356 2.122) 3.459 7.122 ( 5.059 4.177 -4.610) 8.019 7.220 ( 0.567 -1.718 -0.834) 1.992 7.309 ( 1.157 0.555 3.462) 3.692 7.394 ( -0.959 -3.119 1.031) 3.422 7.448 ( 0.860 -1.230 -2.427) 2.853 7.666 ( 0.290 2.397 4.446) 5.059 7.699 ( 0.890 1.367 -2.215) 2.751 7.772 ( -0.439 0.364 -0.988) 1.141 7.831 ( 0.813 -0.458 -0.800) 1.230 7.904 ( 0.442 -0.437 -0.469) 0.779 7.940 ( -1.689 -1.245 -2.196) 3.038 8.046 ( 1.378 -0.297 -1.676) 2.190 8.097 ( 0.537 2.484 0.452) 2.581 8.142 ( -0.718 1.248 2.809) 3.157 8.262 ( 1.495 -0.247 -0.575) 1.621 8.309 ( -1.494 -2.104 -0.097) 2.582 8.393 ( 1.136 -1.410 0.398) 1.854 8.439 ( -0.681 3.523 -1.872) 4.047 8.505 ( 1.560 -0.244 1.177) 1.969 8.638 ( -2.811 -0.291 1.643) 3.269 8.703 ( 0.200 -1.995 -2.128) 2.924 8.970 ( -0.191 3.589 0.531) 3.634 9.001 ( 1.263 2.525 1.158) 3.052 9.186 ( -0.815 -2.019 -0.995) 2.394 9.221 ( 0.722 -2.634 0.537) 2.784 13.092 ( -2.568 12.055 -0.649) 12.342 13.174 ( 0.925 13.031 0.139) 13.065 13.830 ( -1.115 -10.895 0.676) 10.973 13.925 ( 3.205 -9.728 -0.689) 10.265 17.016 ( -4.256 1.666 0.438) 4.591 17.048 ( -5.163 1.919 -0.673) 5.549 17.185 ( -0.397 -0.935 4.420) 4.535 17.226 ( 0.052 -0.944 4.865) 4.956 17.298 ( -2.202 2.237 1.571) 3.510 17.391 ( 1.448 -0.267 -5.065) 5.274 17.443 ( 5.785 3.089 5.300) 8.432 17.513 ( 1.168 2.716 -2.946) 4.174 17.634 ( -9.885 -4.584 -1.778) 11.041 17.647 ( -3.851 -4.330 1.706) 6.041 17.896 ( 5.194 -1.372 -3.990) 6.692 17.921 ( 3.392 -1.943 -2.508) 4.644 18.010 ( -1.560 -1.290 -1.247) 2.378 18.079 ( -1.651 -1.477 0.000) 2.215 18.156 ( 2.098 0.621 2.014) 2.974 18.168 ( 0.721 0.682 -1.287) 1.625 18.792 ( -0.717 0.470 -0.248) 0.893 18.844 ( 1.462 1.308 -0.137) 1.966 18.939 ( -3.294 -3.887 2.712) 5.771 19.035 ( 0.496 -4.185 -2.862) 5.094 19.428 ( -3.325 -1.103 1.983) 4.026 19.608 ( -2.895 -5.104 2.991) 6.587 19.673 ( 5.408 0.370 -0.488) 5.442 19.788 ( 3.648 -2.963 -3.628) 5.937 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 1.036 5.716 -2.676) 6.396 1.610 ( 0.468 5.171 -4.231) 6.698 1.689 ( 0.979 9.138 -2.392) 9.496 1.905 ( 7.931 7.820 2.115) 11.337 2.122 ( 2.393 -0.986 -1.138) 2.828 2.150 ( -10.141 -6.772 2.699) 12.490 2.227 ( -4.769 -1.071 6.039) 7.769 2.374 ( -7.267 -0.606 7.213) 10.257 2.488 ( 4.711 4.191 1.222) 6.422 2.567 ( -9.479 1.712 -4.810) 10.767 2.649 ( 1.741 3.589 3.649) 5.407 2.689 ( -9.601 2.946 -1.298) 10.127 2.751 ( -1.973 -0.160 3.622) 4.128 2.913 ( 0.183 0.086 3.902) 3.907 3.007 ( 4.348 5.255 -7.600) 10.211 3.035 ( 3.001 -7.143 -7.318) 10.657 3.086 ( -7.156 5.628 -3.844) 9.883 3.187 ( 1.782 5.656 -5.393) 8.016 3.290 ( 5.832 1.713 4.746) 7.712 3.303 ( 0.636 0.288 1.457) 1.616 3.471 ( 2.172 5.845 -0.834) 6.291 3.651 ( 3.324 1.638 0.744) 3.780 3.772 ( -3.104 1.537 -1.777) 3.893 3.872 ( -0.372 2.165 -0.249) 2.210 3.913 ( 2.713 1.877 2.378) 4.067 3.962 ( -1.721 3.089 -0.354) 3.554 4.072 ( -2.807 -3.953 8.191) 9.518 4.148 ( 3.618 -1.710 -2.188) 4.561 4.179 ( -0.780 4.217 1.737) 4.627 4.255 ( 0.383 -2.987 2.018) 3.625 4.284 ( 1.593 1.033 0.300) 1.922 4.413 ( 0.643 -2.774 0.546) 2.900 4.462 ( 0.206 -0.204 3.577) 3.589 4.632 ( 3.880 -2.022 -2.183) 4.890 4.736 ( -3.477 -5.049 -0.919) 6.199 4.787 ( -1.626 -2.870 -1.666) 3.695 5.102 ( 1.611 1.375 4.987) 5.418 5.250 ( 3.617 3.602 -1.699) 5.380 5.307 ( 2.175 -2.693 -0.400) 3.485 5.419 ( 2.485 -4.919 -0.004) 5.511 5.432 ( -0.666 -3.523 -0.588) 3.633 5.660 ( -0.983 -10.404 0.510) 10.463 5.735 ( -4.977 -2.516 -3.698) 6.692 5.836 ( 0.276 0.041 -0.275) 0.392 5.859 ( -0.778 -4.576 1.556) 4.896 6.015 ( -2.321 -2.889 -9.558) 10.251 6.116 ( -4.446 -3.478 -7.784) 9.615 6.289 ( 0.681 -0.503 -4.935) 5.007 6.408 ( -2.328 3.562 5.650) 7.073 6.612 ( 0.465 0.889 3.004) 3.167 6.707 ( 3.627 -2.130 1.836) 4.589 6.778 ( -0.320 -2.590 7.891) 8.312 6.824 ( -0.648 0.411 3.195) 3.286 6.914 ( -0.588 1.160 -2.033) 2.413 6.965 ( 0.352 3.185 3.328) 4.620 7.162 ( 2.647 3.050 -4.520) 6.061 7.268 ( 4.189 -0.811 0.753) 4.333 7.316 ( -1.290 -0.549 0.232) 1.421 7.376 ( -0.902 -3.718 -0.917) 3.934 7.468 ( 1.020 0.006 0.466) 1.122 7.685 ( -1.183 1.141 0.532) 1.727 7.699 ( -0.018 3.089 1.453) 3.413 7.767 ( 0.767 -0.135 -0.364) 0.860 7.845 ( -0.222 -0.756 1.868) 2.027 7.882 ( 0.435 -1.293 -3.786) 4.024 7.914 ( 1.644 -1.528 -1.835) 2.899 8.075 ( 1.462 0.827 -2.047) 2.648 8.097 ( 0.860 0.687 -1.070) 1.536 8.166 ( 0.902 2.220 1.232) 2.694 8.255 ( -1.651 0.511 1.059) 2.027 8.283 ( -2.090 -0.035 0.743) 2.218 8.360 ( -1.518 0.243 -3.210) 3.559 8.463 ( 2.471 1.088 0.824) 2.823 8.545 ( 0.752 -0.823 1.481) 1.853 8.596 ( -2.050 0.194 0.160) 2.065 8.670 ( -0.968 -2.608 -2.556) 3.778 8.988 ( 0.569 3.304 1.910) 3.858 9.044 ( 1.139 1.511 1.794) 2.607 9.166 ( -0.082 -1.344 -0.690) 1.513 9.228 ( -0.181 -2.440 -0.431) 2.485 13.059 ( -0.617 12.670 0.764) 12.708 13.170 ( -0.885 13.875 -1.130) 13.949 13.837 ( 0.759 -11.834 1.665) 11.974 13.961 ( 1.232 -10.368 -1.501) 10.548 16.973 ( -0.820 0.783 2.055) 2.348 17.001 ( -0.410 -0.159 1.885) 1.936 17.192 ( -4.293 -1.715 6.865) 8.277 17.223 ( -5.032 -0.181 6.144) 7.943 17.309 ( 0.370 -1.355 -3.131) 3.432 17.348 ( -2.380 -0.720 -4.846) 5.446 17.393 ( -3.849 -1.524 -5.263) 6.695 17.433 ( -3.683 -3.285 -6.217) 7.938 17.634 ( 5.610 2.156 8.031) 10.030 17.703 ( 3.212 0.284 5.117) 6.048 17.922 ( 1.325 -1.135 -2.022) 2.671 17.943 ( 2.574 -0.697 -3.024) 4.032 17.986 ( 0.490 -1.933 -2.946) 3.557 18.043 ( -1.841 -1.096 -0.370) 2.174 18.157 ( -0.050 1.724 -1.624) 2.369 18.195 ( -0.002 1.290 0.668) 1.453 18.788 ( 0.575 -0.807 -0.048) 0.992 18.854 ( -1.505 -1.653 1.243) 2.558 18.918 ( 0.345 -0.958 0.106) 1.023 18.999 ( -1.573 -2.028 -1.873) 3.178 19.440 ( 0.928 -1.548 4.522) 4.869 19.589 ( -2.600 -5.236 5.637) 8.121 19.743 ( 2.098 0.667 -3.895) 4.474 19.787 ( 2.071 -1.908 -5.890) 6.528 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 5.662 0.118 -1.035) 5.757 1.436 ( -3.512 3.721 -5.937) 7.837 1.864 ( 1.821 -3.076 4.942) 6.099 1.945 ( -2.340 -2.051 -3.259) 4.506 2.137 ( 6.590 0.305 8.010) 10.377 2.216 ( 3.606 3.634 4.878) 7.072 2.251 ( -6.188 2.953 -0.108) 6.858 2.294 ( -3.127 -1.213 5.302) 6.274 2.336 ( -2.814 6.143 -2.686) 7.271 2.466 ( -1.582 5.612 -8.397) 10.222 2.595 ( 1.013 -3.064 1.399) 3.518 2.671 ( 1.593 0.945 -3.482) 3.944 2.791 ( 0.347 6.613 8.630) 10.878 2.881 ( -6.319 6.981 1.235) 9.497 2.908 ( -6.848 1.191 3.117) 7.618 3.027 ( 4.519 6.836 -5.305) 9.762 3.042 ( 1.514 -3.902 -2.504) 4.878 3.114 ( -0.078 0.065 -8.692) 8.693 3.330 ( 2.005 0.577 2.304) 3.108 3.420 ( 2.627 -0.911 -3.822) 4.726 3.553 ( 5.636 1.882 3.505) 6.899 3.646 ( -4.352 -0.642 -6.268) 7.658 3.753 ( 0.788 1.701 4.634) 4.999 3.829 ( -1.531 1.876 -2.650) 3.590 3.961 ( 0.129 5.518 3.983) 6.807 4.015 ( 3.889 2.771 0.584) 4.811 4.069 ( -4.417 -0.023 4.981) 6.657 4.142 ( 0.412 1.641 -1.608) 2.334 4.263 ( -2.642 0.073 1.298) 2.944 4.272 ( 4.487 2.235 1.060) 5.124 4.311 ( -0.777 0.749 4.344) 4.476 4.410 ( 1.841 -0.380 -3.889) 4.320 4.519 ( -1.251 -2.858 6.174) 6.917 4.625 ( -0.809 -2.478 -4.703) 5.377 4.702 ( 2.626 -4.440 0.088) 5.159 4.724 ( -2.570 -3.612 -2.310) 4.998 5.176 ( 0.688 2.496 4.612) 5.289 5.245 ( -0.781 4.520 -3.156) 5.568 5.368 ( 1.770 -2.627 2.408) 3.979 5.401 ( -2.228 -3.221 -0.401) 3.937 5.491 ( 3.754 -5.545 1.450) 6.851 5.563 ( -4.250 -8.102 -4.736) 10.302 5.718 ( 2.082 -3.820 2.676) 5.108 5.780 ( -2.960 -2.255 -2.020) 4.234 5.926 ( -1.075 -5.172 -2.038) 5.662 5.947 ( 4.169 -2.508 2.772) 5.600 5.992 ( -0.961 -4.310 -2.908) 5.287 6.140 ( -3.562 -5.179 -12.073) 13.612 6.526 ( 3.046 5.889 10.202) 12.167 6.620 ( -1.456 3.122 0.428) 3.472 6.735 ( -0.703 -2.055 1.104) 2.437 6.832 ( 2.497 -0.281 -2.239) 3.366 6.861 ( -2.350 0.316 0.655) 2.460 6.885 ( 3.000 1.650 1.015) 3.571 7.036 ( 1.028 2.632 5.014) 5.755 7.121 ( -1.850 2.672 -3.777) 4.982 7.289 ( -2.325 -1.480 1.204) 3.007 7.338 ( 2.771 -2.079 -2.600) 4.332 7.399 ( 4.162 -1.053 1.138) 4.442 7.438 ( -3.029 -0.552 -2.015) 3.680 7.678 ( -2.990 3.000 3.314) 5.378 7.714 ( 1.619 1.521 0.257) 2.236 7.782 ( 0.252 -0.718 1.370) 1.567 7.839 ( -0.154 0.363 -1.968) 2.007 7.879 ( -0.083 -1.958 -0.147) 1.965 7.918 ( 0.778 -1.212 -2.311) 2.722 8.072 ( -0.408 -0.121 -0.526) 0.677 8.086 ( -0.185 -0.316 -1.588) 1.629 8.205 ( 1.126 1.508 1.784) 2.593 8.232 ( -1.958 2.420 -0.420) 3.141 8.262 ( 0.197 0.518 1.744) 1.830 8.309 ( 0.237 -0.813 -3.296) 3.403 8.527 ( 0.496 0.605 1.663) 1.838 8.531 ( -0.452 0.634 0.463) 0.906 8.586 ( -0.590 -0.872 0.924) 1.401 8.631 ( 0.384 -2.035 -2.939) 3.596 9.023 ( 0.559 2.062 2.388) 3.204 9.059 ( -0.011 1.518 -0.887) 1.759 9.177 ( 0.476 -1.192 1.350) 1.863 9.208 ( -0.623 -1.747 -1.462) 2.361 13.083 ( 1.104 13.148 2.118) 13.363 13.129 ( -0.860 13.863 -2.530) 14.118 13.880 ( 0.073 -11.918 3.207) 12.342 13.942 ( 0.066 -11.434 -3.125) 11.854 17.038 ( 3.622 0.080 5.135) 6.284 17.061 ( 1.940 -0.885 4.357) 4.851 17.140 ( -3.587 0.980 -2.675) 4.581 17.152 ( -2.917 0.570 -3.053) 4.260 17.216 ( -4.270 -3.184 4.192) 6.778 17.259 ( -4.781 -3.130 5.521) 7.946 17.359 ( 3.196 -2.786 -7.155) 8.317 17.402 ( 4.314 -2.282 -6.857) 8.417 17.779 ( 0.705 -0.681 7.376) 7.441 17.810 ( 0.018 -0.042 8.236) 8.237 17.924 ( 1.414 -0.232 -6.839) 6.988 17.958 ( 1.649 1.316 0.497) 2.167 17.965 ( 1.807 -1.516 -6.245) 6.675 17.982 ( -2.257 2.435 -1.988) 3.870 18.159 ( 0.931 0.434 0.706) 1.246 18.174 ( -1.583 0.770 -0.600) 1.860 18.817 ( -0.897 -2.501 0.847) 2.789 18.817 ( 0.178 -2.098 0.758) 2.238 18.947 ( -2.174 -0.221 -0.856) 2.347 18.950 ( 2.931 -0.482 -1.088) 3.164 19.534 ( 2.512 -2.169 6.408) 7.216 19.620 ( -1.826 -4.374 7.829) 9.152 19.664 ( -2.786 0.768 -6.708) 7.304 19.766 ( 1.467 -2.112 -6.913) 7.376 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.625 11.751 -2.770) 12.089 1.568 ( 6.774 -1.226 0.062) 6.884 1.715 ( -8.105 8.767 -4.476) 12.751 1.928 ( -2.706 -1.596 4.066) 5.139 2.064 ( -10.166 3.110 -0.102) 10.632 2.196 ( 2.272 -5.831 -3.008) 6.943 2.265 ( 2.472 -0.941 1.999) 3.315 2.416 ( 9.872 0.077 4.658) 10.916 2.485 ( 0.209 4.193 0.234) 4.204 2.557 ( 10.498 3.495 1.559) 11.174 2.619 ( 6.664 5.982 2.481) 9.292 2.708 ( 2.480 -9.359 -4.349) 10.614 2.780 ( -5.629 10.290 6.429) 13.375 2.859 ( 0.251 9.353 2.595) 9.709 2.917 ( 1.386 0.821 6.612) 6.805 2.963 ( -3.737 -1.704 -2.813) 4.978 3.086 ( 3.609 2.212 -3.990) 5.817 3.102 ( 3.704 2.970 0.668) 4.795 3.341 ( -1.077 2.311 -1.107) 2.780 3.429 ( 0.131 -4.180 -6.198) 7.477 3.495 ( -1.991 3.527 -5.601) 6.912 3.646 ( -6.257 3.319 0.609) 7.109 3.713 ( 4.923 -2.459 3.221) 6.377 3.867 ( 0.091 0.679 -0.185) 0.709 3.956 ( -1.692 1.490 -0.579) 2.328 4.028 ( -0.768 6.194 -1.647) 6.455 4.073 ( 1.089 3.867 2.702) 4.841 4.131 ( -6.246 -2.091 0.648) 6.618 4.169 ( 0.495 1.904 -0.350) 1.998 4.301 ( -1.865 -2.232 0.408) 2.937 4.337 ( -0.295 1.573 -1.017) 1.896 4.419 ( 1.835 -3.453 -3.321) 5.131 4.509 ( -0.761 -0.066 0.019) 0.764 4.589 ( -4.620 -2.214 1.716) 5.403 4.719 ( 4.159 -4.245 -0.093) 5.944 4.765 ( 3.192 -4.214 0.982) 5.377 5.176 ( -2.913 3.631 -2.729) 5.396 5.207 ( -1.633 3.602 2.626) 4.747 5.299 ( -4.553 -2.971 0.391) 5.451 5.439 ( -2.592 -5.527 -2.668) 6.663 5.455 ( 0.451 -5.346 -1.481) 5.566 5.601 ( 5.655 -7.199 6.653) 11.316 5.723 ( -0.249 -4.565 -2.958) 5.445 5.810 ( 1.677 -0.473 4.585) 4.905 5.853 ( -2.834 -3.150 -0.765) 4.305 5.960 ( -0.875 -5.267 -5.078) 7.369 6.049 ( 3.734 -5.849 -0.834) 6.989 6.092 ( 2.576 -3.780 9.929) 10.932 6.584 ( 1.199 3.352 -6.516) 7.425 6.654 ( 2.200 3.924 1.739) 4.823 6.710 ( -3.577 0.931 1.814) 4.118 6.819 ( 2.367 0.965 -2.565) 3.621 6.876 ( 1.766 -1.865 -1.158) 2.817 6.934 ( 1.901 2.535 -2.216) 3.867 7.042 ( -1.644 3.140 -3.761) 5.168 7.069 ( -3.177 2.811 5.087) 6.623 7.269 ( -1.780 -2.721 1.917) 3.775 7.324 ( -1.387 1.828 -3.720) 4.371 7.386 ( 1.454 -3.743 -1.089) 4.161 7.476 ( 1.761 0.526 0.177) 1.846 7.642 ( -3.577 2.798 3.480) 5.722 7.735 ( 1.077 -0.958 -1.737) 2.257 7.796 ( -1.999 -0.126 1.768) 2.671 7.812 ( 0.131 0.346 -1.098) 1.159 7.861 ( -1.402 -3.109 1.352) 3.669 7.907 ( 0.885 -0.461 -2.277) 2.486 8.049 ( -1.776 -0.078 0.639) 1.889 8.073 ( -1.103 0.111 1.022) 1.508 8.189 ( -0.441 1.923 -0.947) 2.189 8.255 ( 0.837 1.233 2.322) 2.759 8.285 ( 1.134 -1.017 -0.811) 1.726 8.329 ( 3.353 0.691 -0.160) 3.427 8.473 ( -2.938 0.501 -0.340) 3.000 8.565 ( -2.117 -1.979 0.656) 2.971 8.600 ( 3.221 0.634 0.644) 3.346 8.633 ( 1.264 -0.602 -0.634) 1.537 9.025 ( -0.861 2.246 -1.249) 2.710 9.060 ( 0.472 1.159 -0.114) 1.257 9.164 ( -1.352 -1.049 -0.276) 1.734 9.214 ( 0.813 -1.526 0.721) 1.874 13.080 ( -0.720 13.798 -1.035) 13.855 13.152 ( 2.940 12.188 0.459) 12.546 13.857 ( -2.783 -10.195 0.202) 10.570 13.946 ( 0.755 -12.773 -0.414) 12.802 17.025 ( -0.901 1.933 -2.628) 3.384 17.054 ( -0.552 1.491 -3.129) 3.510 17.191 ( -0.407 -0.431 5.014) 5.049 17.219 ( -2.609 -2.275 7.250) 8.034 17.250 ( 5.428 0.552 3.259) 6.355 17.267 ( 6.817 -2.745 6.933) 10.103 17.367 ( 3.994 -2.597 -5.271) 7.105 17.411 ( 3.832 -3.286 -6.196) 7.992 17.782 ( -6.219 2.482 -1.880) 6.954 17.816 ( -3.052 -0.863 -1.306) 3.430 17.853 ( -2.567 -0.016 0.122) 2.570 17.886 ( -0.630 -2.318 -2.083) 3.179 17.990 ( 2.571 -0.359 -2.413) 3.544 18.031 ( 3.618 1.634 0.796) 4.049 18.140 ( -0.909 0.333 0.293) 1.012 18.196 ( 1.071 0.547 0.672) 1.377 18.783 ( -1.141 -0.908 0.439) 1.523 18.861 ( 0.290 -0.901 0.555) 1.097 18.918 ( 0.606 -1.398 0.348) 1.563 18.993 ( 2.659 -2.070 -1.483) 3.682 19.537 ( -2.869 1.098 -4.956) 5.831 19.637 ( 0.398 -2.725 4.827) 5.558 19.654 ( -2.955 -3.612 6.878) 8.312 19.720 ( 1.426 -3.764 -5.344) 6.690 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 5.673 18.503 5.044) 19.999 1.484 ( -1.567 16.864 -2.527) 17.124 1.753 ( -5.490 9.020 -2.472) 10.845 1.861 ( 7.851 0.123 -0.867) 7.899 2.049 ( 0.504 -6.020 7.006) 9.251 2.223 ( -0.034 -0.678 0.662) 0.948 2.351 ( 2.131 -0.875 3.066) 3.836 2.424 ( -5.537 7.030 -4.483) 10.009 2.555 ( -2.035 8.469 6.388) 10.801 2.567 ( -0.593 0.708 -2.710) 2.863 2.689 ( 2.589 -8.766 -5.187) 10.510 2.767 ( -0.146 1.437 1.219) 1.890 2.870 ( 0.449 -5.623 0.926) 5.717 2.920 ( 6.690 2.144 5.207) 8.745 2.935 ( 5.162 7.842 -3.493) 10.017 2.975 ( 0.906 0.565 2.086) 2.344 3.097 ( 1.694 1.707 0.805) 2.536 3.213 ( 3.950 7.260 2.708) 8.697 3.238 ( -5.288 4.414 -8.443) 10.896 3.360 ( 1.675 -2.615 -2.802) 4.183 3.399 ( -4.113 6.057 -2.141) 7.628 3.601 ( -1.252 3.369 0.001) 3.595 3.819 ( -1.722 -4.984 3.075) 6.104 3.844 ( 1.617 4.399 -0.288) 4.696 3.878 ( -1.541 -1.625 -2.015) 3.013 4.006 ( 0.544 2.076 1.597) 2.675 4.113 ( 0.861 -0.602 -1.800) 2.084 4.135 ( -2.076 -2.461 -0.740) 3.304 4.144 ( 0.978 2.865 6.672) 7.327 4.250 ( -1.811 -0.576 -4.704) 5.073 4.290 ( -0.643 -5.933 -2.687) 6.545 4.419 ( 1.279 -1.421 -0.509) 1.978 4.470 ( -3.334 -0.061 -1.322) 3.587 4.546 ( -1.412 -0.310 0.914) 1.710 4.785 ( 1.888 -5.148 1.045) 5.582 4.818 ( 1.611 -3.628 -0.853) 4.060 5.100 ( -1.379 1.596 -2.713) 3.436 5.159 ( -4.588 3.509 0.171) 5.778 5.255 ( -1.355 -3.721 2.463) 4.663 5.402 ( -0.136 -5.490 -0.944) 5.572 5.454 ( 2.350 -5.122 0.546) 5.662 5.671 ( -1.206 -9.561 -1.650) 9.777 5.752 ( -3.913 1.263 1.577) 4.403 5.814 ( 5.061 -4.085 1.709) 6.724 5.931 ( 5.167 -3.707 4.911) 8.035 5.978 ( 1.926 -3.108 7.424) 8.276 6.134 ( 2.693 -4.942 4.202) 7.024 6.234 ( 2.259 -3.610 8.613) 9.608 6.524 ( 0.549 4.700 -9.426) 10.547 6.606 ( -4.074 0.722 -5.302) 6.725 6.656 ( -2.276 -0.923 -2.259) 3.337 6.856 ( 2.063 2.324 -1.387) 3.403 6.892 ( 2.923 0.635 -3.690) 4.750 6.902 ( -1.840 -0.056 -4.601) 4.956 7.022 ( 1.204 5.058 -0.921) 5.280 7.033 ( -2.987 1.380 2.924) 4.402 7.215 ( -1.865 -0.600 -0.905) 2.158 7.324 ( -0.255 -1.330 1.438) 1.975 7.410 ( 0.795 -2.026 -0.267) 2.193 7.454 ( -0.875 0.643 -2.648) 2.862 7.623 ( -2.708 1.417 4.134) 5.141 7.741 ( -2.072 0.548 -1.617) 2.685 7.760 ( 2.692 -0.681 -0.058) 2.777 7.809 ( -1.113 -0.629 1.245) 1.785 7.873 ( -0.120 -2.804 2.431) 3.713 7.922 ( 2.558 0.788 -0.925) 2.832 8.014 ( -2.350 -0.524 1.511) 2.843 8.081 ( 0.343 2.349 1.826) 2.995 8.183 ( 0.203 -0.905 -1.097) 1.436 8.261 ( -1.511 0.977 -0.100) 1.802 8.306 ( 1.711 -2.068 -0.128) 2.687 8.392 ( 1.229 -0.133 0.670) 1.406 8.421 ( -0.845 2.106 -0.354) 2.297 8.526 ( -1.766 -0.403 -0.732) 1.953 8.654 ( -0.268 -1.054 2.699) 2.909 8.661 ( 3.152 -0.078 -0.990) 3.305 8.996 ( -0.370 3.359 -1.848) 3.851 9.037 ( -1.376 1.219 -2.184) 2.855 9.162 ( 0.437 -1.208 1.377) 1.883 9.225 ( -0.133 -2.069 0.136) 2.078 13.078 ( 0.945 13.267 0.537) 13.312 13.194 ( 1.564 10.923 -1.620) 11.153 13.825 ( -0.811 -9.568 1.053) 9.659 13.929 ( -1.561 -11.512 -0.989) 11.660 17.029 ( 2.982 3.036 -0.997) 4.371 17.059 ( 3.710 2.949 -1.903) 5.107 17.173 ( -4.501 -0.646 3.776) 5.910 17.226 ( -3.434 -0.617 7.720) 8.472 17.350 ( 1.082 -2.143 -5.325) 5.841 17.376 ( 4.589 -0.397 -3.390) 5.719 17.456 ( 1.010 1.300 2.185) 2.735 17.537 ( 9.084 -3.172 5.990) 11.334 17.596 ( -4.098 4.021 -7.068) 9.106 17.740 ( 2.894 -0.338 -7.020) 7.600 17.812 ( -4.568 -2.269 4.168) 6.587 17.867 ( -2.869 -4.548 2.509) 5.934 18.018 ( 2.774 -0.927 -2.012) 3.550 18.085 ( 1.838 -1.038 -0.350) 2.140 18.141 ( -0.419 1.623 1.133) 2.023 18.194 ( -0.828 0.082 -1.418) 1.644 18.785 ( 0.664 0.644 0.488) 1.046 18.842 ( -1.358 1.625 -0.042) 2.118 18.961 ( 1.165 -4.166 1.794) 4.683 19.019 ( 2.255 -3.746 -2.509) 5.041 19.475 ( 0.918 1.377 -2.592) 3.075 19.618 ( -5.423 -2.673 2.923) 6.716 19.658 ( -0.406 -3.378 2.001) 3.947 19.729 ( 0.518 -5.251 0.116) 5.277 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -6.784 13.579 2.917) 15.457 1.855 ( 3.930 14.493 4.347) 15.632 1.946 ( 5.136 3.018 -0.296) 5.965 2.024 ( -0.969 3.440 -4.057) 5.407 2.117 ( 6.562 7.225 4.924) 10.932 2.203 ( -1.676 -0.230 1.370) 2.176 2.225 ( -0.915 -10.248 5.320) 11.583 2.357 ( -1.259 -13.202 -7.559) 15.265 2.414 ( 2.428 2.542 1.629) 3.874 2.514 ( -4.915 2.392 -4.441) 7.042 2.593 ( -6.917 -7.247 -4.026) 10.797 2.607 ( 5.045 -8.062 -4.686) 10.602 2.916 ( -0.896 4.071 1.282) 4.361 2.938 ( -1.225 -0.426 -0.725) 1.486 3.078 ( -2.450 4.340 3.500) 6.090 3.108 ( 5.029 0.208 0.129) 5.035 3.215 ( -0.396 2.849 2.694) 3.941 3.246 ( 1.813 1.019 -0.693) 2.192 3.345 ( -1.468 2.408 -1.063) 3.014 3.359 ( -0.515 1.744 -0.930) 2.043 3.585 ( 2.136 11.559 1.945) 11.915 3.642 ( -1.408 10.976 -3.738) 11.680 3.791 ( -1.905 -1.289 6.275) 6.683 3.840 ( 2.723 -4.968 2.200) 6.077 3.857 ( -0.406 -8.225 4.186) 9.238 3.930 ( -1.181 -8.722 -3.905) 9.629 4.054 ( 1.891 -0.349 -1.749) 2.599 4.082 ( 1.040 -0.506 -2.947) 3.166 4.131 ( -2.833 2.221 0.395) 3.622 4.166 ( -1.548 -1.215 -1.669) 2.580 4.279 ( 0.010 1.574 2.044) 2.580 4.322 ( -1.890 -2.615 -1.710) 3.652 4.526 ( -1.983 5.011 3.013) 6.175 4.591 ( 2.368 2.680 -3.154) 4.769 4.689 ( -0.502 -5.047 1.591) 5.315 4.729 ( 2.110 -5.271 -2.209) 6.093 5.121 ( 1.349 2.804 0.636) 3.175 5.147 ( -2.003 2.837 -1.971) 3.993 5.222 ( 1.345 -1.737 1.189) 2.498 5.259 ( -1.765 -3.512 -2.743) 4.793 5.439 ( 2.396 -3.869 1.379) 4.755 5.462 ( -1.129 -5.752 -0.889) 5.929 5.740 ( -1.181 0.709 1.615) 2.122 5.772 ( 0.748 -2.325 -1.688) 2.968 6.112 ( 7.707 1.718 7.872) 11.150 6.141 ( 1.201 3.898 8.908) 9.798 6.191 ( 3.229 -2.249 8.956) 9.783 6.275 ( 0.140 -5.069 6.427) 8.187 6.425 ( -6.289 1.286 -4.355) 7.757 6.461 ( -3.859 -0.511 -5.538) 6.770 6.588 ( -0.002 2.969 -8.859) 9.344 6.689 ( -0.818 -5.319 -12.671) 13.767 6.929 ( -1.235 2.329 1.323) 2.950 6.953 ( 0.187 0.157 -0.183) 0.305 7.053 ( -2.916 4.401 1.885) 5.606 7.113 ( 3.664 0.097 -3.526) 5.086 7.212 ( 0.483 -1.499 0.201) 1.587 7.227 ( 0.763 -1.851 -1.088) 2.279 7.397 ( -1.389 0.670 0.689) 1.689 7.422 ( 0.468 -1.631 -1.684) 2.391 7.668 ( -0.670 2.309 4.076) 4.732 7.705 ( -0.222 -1.053 1.252) 1.651 7.798 ( 0.531 0.494 -1.317) 1.504 7.809 ( 1.667 -0.543 -1.569) 2.353 7.928 ( 1.414 2.870 3.005) 4.390 7.968 ( -0.348 1.436 -0.633) 1.608 8.006 ( 1.650 -1.820 3.537) 4.306 8.054 ( -3.346 -4.173 -0.319) 5.358 8.195 ( 1.152 4.430 2.119) 5.044 8.257 ( 0.182 1.499 -3.259) 3.592 8.290 ( 0.858 -2.801 0.897) 3.064 8.320 ( -1.474 -2.514 -1.753) 3.401 8.502 ( 0.123 1.762 1.483) 2.307 8.516 ( -0.328 0.665 0.223) 0.774 8.654 ( -0.630 0.302 0.894) 1.134 8.674 ( 0.840 -1.367 -0.982) 1.881 9.038 ( -0.316 1.972 -0.483) 2.054 9.042 ( 0.326 1.800 -0.964) 2.068 9.153 ( 0.162 -1.191 0.462) 1.288 9.165 ( -0.491 -2.091 -0.797) 2.291 13.380 ( 0.916 12.337 0.460) 12.380 13.392 ( -0.545 10.449 -0.827) 10.496 13.636 ( -0.934 -10.199 1.375) 10.334 13.658 ( 0.860 -11.704 -0.808) 11.763 17.127 ( -3.454 1.611 3.517) 5.186 17.146 ( -0.213 0.018 2.686) 2.694 17.187 ( 1.774 2.510 -0.361) 3.095 17.224 ( -4.173 0.292 -3.342) 5.354 17.319 ( 5.243 1.138 4.177) 6.799 17.365 ( 0.340 -2.217 1.216) 2.552 17.441 ( -2.562 0.426 -4.305) 5.027 17.463 ( 0.156 -1.584 -5.283) 5.517 17.707 ( -6.965 -0.291 4.585) 8.344 17.717 ( -6.173 -1.175 4.679) 7.834 17.792 ( 7.976 -0.012 -3.956) 8.903 17.803 ( 8.556 -0.878 -4.326) 9.627 18.063 ( 2.731 0.611 -0.124) 2.801 18.074 ( -0.594 -0.193 -0.795) 1.011 18.135 ( -1.481 0.027 -0.324) 1.516 18.144 ( -1.022 -0.860 -1.247) 1.827 18.836 ( -1.060 1.744 1.338) 2.441 18.857 ( 0.151 1.516 -0.331) 1.559 18.898 ( -1.358 -2.016 1.222) 2.721 18.939 ( 1.935 -4.090 -2.380) 5.112 19.507 ( -6.508 0.934 3.841) 7.614 19.543 ( -0.883 -1.344 1.951) 2.529 19.606 ( 1.741 0.249 0.357) 1.795 19.657 ( 5.299 -3.571 -3.067) 7.088 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -10.984 14.710 4.857) 18.990 1.829 ( -5.837 4.994 -5.998) 9.746 1.969 ( -4.441 7.641 -4.437) 9.889 2.007 ( 1.011 6.754 -3.922) 7.875 2.067 ( 1.432 0.886 3.149) 3.571 2.151 ( -10.203 -8.936 1.245) 13.620 2.197 ( -3.089 -5.360 -1.444) 6.352 2.362 ( 4.155 -10.940 -2.387) 11.944 2.460 ( 6.029 5.710 2.371) 8.636 2.540 ( -0.284 -2.047 2.915) 3.573 2.564 ( 3.066 1.567 2.927) 4.520 2.736 ( -1.130 -9.269 -2.410) 9.643 2.769 ( 0.930 2.133 3.756) 4.418 2.849 ( -4.431 -4.481 1.595) 6.500 3.113 ( -5.556 10.556 3.110) 12.327 3.163 ( 3.119 3.945 -6.990) 8.611 3.206 ( -0.092 4.209 5.226) 6.711 3.236 ( 1.116 -0.838 -5.917) 6.079 3.339 ( -2.139 1.301 1.518) 2.927 3.392 ( 2.447 1.067 -0.433) 2.705 3.601 ( 0.664 11.120 -2.930) 11.518 3.679 ( 3.796 7.061 2.548) 8.412 3.776 ( -3.254 -3.686 3.067) 5.795 3.837 ( 1.168 -0.695 -0.514) 1.453 3.852 ( -2.495 -9.929 -2.089) 10.448 3.957 ( 3.907 -5.851 1.088) 7.120 4.040 ( -1.180 1.594 -2.595) 3.266 4.087 ( 1.352 -1.342 -1.000) 2.152 4.137 ( 1.768 3.365 3.520) 5.181 4.195 ( 2.890 -1.509 3.811) 5.015 4.287 ( -0.761 0.188 0.544) 0.954 4.296 ( -1.382 -1.410 4.100) 4.550 4.516 ( -1.870 2.565 1.849) 3.673 4.593 ( 0.417 -0.531 -2.040) 2.149 4.681 ( -0.011 -1.683 -1.552) 2.289 4.748 ( 1.785 -4.372 -3.232) 5.722 5.095 ( -0.249 4.488 0.906) 4.585 5.187 ( 2.275 -2.614 0.241) 3.474 5.233 ( 2.284 0.753 0.117) 2.408 5.280 ( 2.504 -2.871 1.419) 4.066 5.420 ( -1.181 -1.953 -2.344) 3.272 5.477 ( 0.654 -6.984 -0.118) 7.016 5.747 ( -0.264 0.164 1.684) 1.713 5.776 ( 0.722 -2.262 -0.348) 2.400 6.036 ( -7.260 4.803 -8.120) 11.904 6.142 ( -6.082 -4.713 -11.431) 13.779 6.276 ( 2.449 2.417 -5.080) 6.136 6.304 ( -0.936 1.085 -0.636) 1.568 6.418 ( 2.931 2.414 10.415) 11.086 6.509 ( 2.714 -4.623 7.043) 8.851 6.540 ( 0.506 0.692 1.439) 1.675 6.607 ( 0.423 -4.261 2.671) 5.047 6.897 ( -3.168 2.774 2.064) 4.689 6.939 ( -1.539 -1.072 0.872) 2.068 7.037 ( -0.717 4.916 1.298) 5.135 7.139 ( 1.262 -4.184 -0.906) 4.464 7.213 ( 3.103 3.064 -3.019) 5.304 7.280 ( 2.890 -3.134 -1.615) 4.559 7.382 ( -1.158 1.442 1.539) 2.406 7.416 ( 0.346 -1.694 0.086) 1.732 7.714 ( 1.547 1.769 2.387) 3.349 7.722 ( 0.989 0.764 0.215) 1.268 7.777 ( -0.760 0.545 -2.587) 2.751 7.803 ( -0.026 -1.787 -1.592) 2.393 7.896 ( -1.502 0.266 -1.395) 2.068 7.922 ( -3.461 -1.627 -0.650) 3.879 8.065 ( 4.585 3.137 0.132) 5.557 8.130 ( 3.785 -1.305 2.212) 4.574 8.188 ( -1.443 2.885 -2.431) 4.039 8.253 ( -0.792 -2.574 -1.290) 2.986 8.273 ( 0.782 1.949 1.263) 2.450 8.341 ( 1.449 -3.465 1.005) 3.888 8.499 ( -0.582 2.046 -0.392) 2.163 8.515 ( -0.240 0.464 0.785) 0.943 8.636 ( -1.989 0.492 0.752) 2.182 8.663 ( -0.801 -1.863 -1.265) 2.390 9.036 ( 0.281 2.517 0.191) 2.540 9.048 ( 0.897 1.554 -0.106) 1.798 9.149 ( -0.453 -1.122 -0.062) 1.211 9.166 ( 0.296 -2.467 0.715) 2.585 13.337 ( -2.182 11.811 -0.124) 12.012 13.432 ( 2.082 11.161 -0.581) 11.368 13.602 ( -1.867 -10.236 0.773) 10.434 13.705 ( 2.852 -11.571 -0.656) 11.935 17.060 ( -5.471 2.253 1.455) 6.093 17.081 ( -6.783 0.718 0.254) 6.825 17.166 ( -2.849 -0.224 5.341) 6.058 17.192 ( -3.031 -2.132 4.864) 6.115 17.335 ( 0.855 1.574 -3.793) 4.195 17.367 ( 1.430 -1.591 -7.007) 7.326 17.493 ( 5.984 1.955 3.260) 7.090 17.534 ( 4.220 -1.477 -0.848) 4.551 17.576 ( -9.444 -0.062 1.483) 9.560 17.595 ( -6.832 -1.345 4.489) 8.285 17.884 ( 5.756 0.127 -5.108) 7.696 17.894 ( 5.517 -0.777 -5.021) 7.500 18.007 ( -2.807 0.931 -0.901) 3.091 18.041 ( -2.772 -2.079 -0.450) 3.495 18.171 ( 2.900 0.672 1.466) 3.318 18.178 ( 2.113 0.099 0.434) 2.159 18.807 ( -2.229 1.181 0.832) 2.656 18.844 ( -2.840 -2.074 1.909) 4.001 18.902 ( 1.466 1.435 -0.564) 2.128 18.956 ( 1.470 -3.424 -1.606) 4.058 19.436 ( -4.475 1.931 4.198) 6.433 19.504 ( -4.608 -4.519 4.592) 7.921 19.695 ( 6.951 1.528 -3.628) 7.989 19.734 ( 5.753 -2.311 -4.585) 7.711 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -9.187 12.064 2.831) 15.425 1.674 ( -6.306 0.694 -4.472) 7.762 1.822 ( -3.218 -0.870 -6.098) 6.950 1.898 ( -9.493 -10.980 -1.465) 14.589 2.030 ( 4.287 7.683 4.112) 9.712 2.187 ( 0.103 -4.638 4.189) 6.250 2.230 ( 7.128 9.170 -0.825) 11.643 2.382 ( -1.840 -1.335 0.310) 2.294 2.453 ( -3.646 -1.915 -0.198) 4.123 2.580 ( -2.821 -5.864 -2.504) 6.972 2.617 ( 3.453 0.486 0.765) 3.570 2.653 ( 2.048 -2.119 3.572) 4.631 2.876 ( -0.048 -0.675 3.119) 3.191 2.888 ( 0.782 -2.984 -2.599) 4.034 2.974 ( -9.074 11.275 -0.952) 14.504 3.125 ( 0.112 5.054 -2.061) 5.459 3.171 ( -3.843 0.607 -1.757) 4.269 3.180 ( -4.153 -6.618 -3.985) 8.771 3.352 ( 3.135 4.618 2.226) 6.009 3.385 ( 0.824 3.033 -2.894) 4.272 3.617 ( 1.017 8.648 -0.395) 8.717 3.721 ( 1.290 4.328 2.794) 5.310 3.748 ( -0.408 -2.816 -7.251) 7.789 3.817 ( -0.488 -6.052 6.717) 9.054 3.963 ( 4.168 -3.493 3.157) 6.288 3.986 ( 2.276 -3.371 0.603) 4.111 4.033 ( 0.588 6.655 0.466) 6.697 4.115 ( 1.372 -1.122 0.344) 1.806 4.237 ( 3.592 3.145 5.244) 7.092 4.287 ( -1.252 3.794 3.729) 5.465 4.302 ( 1.903 0.597 3.172) 3.747 4.323 ( 0.894 -4.543 4.834) 6.693 4.497 ( -0.895 1.080 0.631) 1.538 4.574 ( -0.919 -5.148 -0.548) 5.258 4.651 ( 0.078 1.015 -4.696) 4.805 4.722 ( -0.354 -3.662 -4.226) 5.603 5.147 ( 2.273 3.524 3.566) 5.505 5.237 ( 2.883 -4.450 0.667) 5.344 5.314 ( 3.104 2.029 1.725) 4.090 5.339 ( 2.747 -2.153 0.372) 3.510 5.381 ( 0.134 -0.069 -2.741) 2.745 5.468 ( -0.569 -7.457 -1.406) 7.610 5.729 ( -2.559 1.944 -1.283) 3.460 5.786 ( -1.482 -2.981 1.307) 3.577 5.853 ( -2.043 1.870 -3.604) 4.545 5.928 ( -3.948 -4.958 -9.265) 11.225 6.137 ( -3.105 4.142 -11.240) 12.375 6.229 ( -2.114 -4.239 -12.040) 12.938 6.521 ( -0.076 6.021 9.698) 11.415 6.624 ( 3.140 -2.445 6.565) 7.677 6.652 ( 0.903 -0.012 3.971) 4.073 6.705 ( 1.449 -3.672 10.957) 11.647 6.871 ( -1.647 2.935 2.301) 4.077 6.919 ( -1.413 -1.226 0.643) 1.978 7.049 ( 0.164 5.047 2.604) 5.681 7.151 ( 0.014 -4.124 -0.121) 4.125 7.254 ( 4.119 1.122 -2.298) 4.849 7.294 ( 1.946 -2.715 -2.514) 4.181 7.369 ( -1.222 3.088 -0.344) 3.339 7.435 ( -0.094 -2.862 0.660) 2.938 7.713 ( -0.813 1.766 -0.268) 1.963 7.743 ( 0.669 -0.290 -2.336) 2.447 7.769 ( 0.455 1.579 2.917) 3.348 7.810 ( 1.681 -2.404 -0.247) 2.944 7.870 ( 0.582 0.511 -1.869) 2.024 7.892 ( 0.646 -1.249 -1.695) 2.202 8.117 ( 1.469 3.179 -3.023) 4.626 8.135 ( -1.039 1.986 -2.267) 3.188 8.191 ( 1.127 -0.014 1.141) 1.604 8.226 ( -0.197 -3.087 0.305) 3.108 8.301 ( -0.268 2.035 0.670) 2.159 8.344 ( -1.697 -1.697 -0.498) 2.451 8.500 ( 1.627 2.036 -0.352) 2.630 8.530 ( 1.135 -0.825 0.942) 1.690 8.600 ( -2.270 0.403 0.516) 2.363 8.623 ( -1.959 -1.832 -1.035) 2.875 9.049 ( 0.501 2.399 0.643) 2.534 9.069 ( 1.080 0.552 0.085) 1.216 9.146 ( -0.083 -0.161 0.663) 0.688 9.174 ( -0.154 -2.502 0.543) 2.565 13.318 ( -0.371 12.470 1.416) 12.556 13.442 ( 0.332 11.230 -2.081) 11.426 13.596 ( -0.156 -10.209 1.967) 10.398 13.729 ( 0.936 -12.159 -2.259) 12.402 16.995 ( -2.903 0.955 3.520) 4.662 17.003 ( -2.717 0.092 3.243) 4.231 17.162 ( -3.675 -0.406 6.588) 7.554 17.187 ( -4.122 -2.436 7.576) 8.962 17.302 ( -0.930 0.669 -6.294) 6.397 17.325 ( -1.214 -1.378 -6.379) 6.638 17.373 ( -4.535 0.169 -6.334) 7.791 17.392 ( -3.628 -1.474 -5.645) 6.871 17.676 ( 3.517 1.804 8.000) 8.924 17.703 ( 3.130 -0.658 7.381) 8.044 17.919 ( 3.754 0.488 -4.818) 6.127 17.930 ( 3.961 -0.588 -5.092) 6.478 17.974 ( -0.388 0.804 -0.077) 0.896 18.008 ( -0.920 -2.076 1.129) 2.536 18.195 ( 0.020 1.564 -1.095) 1.910 18.211 ( 0.173 0.063 -0.150) 0.238 18.780 ( -1.207 0.348 0.717) 1.446 18.807 ( -2.704 -2.200 1.631) 3.848 18.924 ( 1.458 1.141 -0.783) 2.010 18.957 ( 0.113 -1.968 -1.172) 2.293 19.437 ( -1.122 1.356 6.633) 6.863 19.493 ( -2.407 -3.960 7.025) 8.415 19.750 ( 3.286 0.235 -6.726) 7.489 19.759 ( 3.446 -0.806 -7.278) 8.093 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.130 6.123 3.900) 7.261 1.553 ( -0.081 3.258 -5.177) 6.118 1.705 ( -5.530 -5.346 2.549) 8.103 1.817 ( 4.813 -8.885 -6.883) 12.226 2.192 ( 3.651 1.787 3.722) 5.512 2.229 ( -2.123 -2.414 1.219) 3.438 2.303 ( 3.287 4.755 5.197) 7.773 2.348 ( -2.291 2.338 0.751) 3.358 2.466 ( 0.813 5.761 3.443) 6.761 2.540 ( 0.306 -0.926 1.586) 1.862 2.608 ( -0.397 5.639 -8.105) 9.882 2.676 ( -0.008 -0.228 -8.447) 8.451 2.804 ( -2.323 -1.986 1.558) 3.430 2.833 ( -0.103 -3.172 -1.377) 3.460 2.940 ( 3.522 -3.456 4.722) 6.830 3.022 ( -4.953 -7.246 -3.093) 9.306 3.103 ( -2.889 6.522 2.645) 7.608 3.130 ( -0.988 3.363 -0.554) 3.549 3.413 ( 2.796 3.455 -1.377) 4.653 3.416 ( 1.039 1.793 -1.644) 2.645 3.625 ( 1.028 3.944 -0.311) 4.088 3.670 ( -0.927 1.729 -5.158) 5.518 3.797 ( -0.944 0.725 4.893) 5.035 3.842 ( 1.556 -2.003 0.261) 2.550 4.015 ( -0.868 2.695 1.940) 3.432 4.044 ( 1.892 2.055 1.004) 2.968 4.069 ( -0.528 -1.632 3.096) 3.540 4.128 ( 0.549 -3.603 -1.435) 3.917 4.284 ( -2.192 3.598 5.128) 6.636 4.321 ( -0.128 2.559 1.110) 2.792 4.372 ( 0.787 3.248 5.834) 6.724 4.391 ( -3.462 -2.135 6.830) 7.949 4.506 ( 2.698 0.338 -2.188) 3.491 4.544 ( 1.632 -5.158 -3.827) 6.627 4.624 ( 1.223 -1.024 -2.155) 2.681 4.656 ( -1.093 -2.698 -4.848) 5.655 5.219 ( 0.902 2.146 4.155) 4.763 5.272 ( -0.405 -2.262 -0.042) 2.298 5.336 ( -1.020 0.318 -0.897) 1.395 5.354 ( -0.786 -1.433 -0.425) 1.688 5.407 ( 2.198 -1.781 0.122) 2.831 5.434 ( -0.632 -4.160 -2.500) 4.894 5.687 ( 0.719 0.842 -0.326) 1.154 5.731 ( -1.263 -2.720 -3.729) 4.785 5.857 ( 0.260 -0.664 2.305) 2.413 5.887 ( 1.833 -2.902 5.368) 6.371 5.981 ( -1.563 2.179 -9.033) 9.423 6.048 ( -3.812 -3.991 -11.024) 12.328 6.618 ( 2.406 2.726 4.053) 5.445 6.653 ( -0.307 -0.659 -0.716) 1.020 6.731 ( -0.665 2.982 8.154) 8.707 6.811 ( -1.127 -3.472 8.491) 9.242 6.873 ( 1.788 2.433 -3.745) 4.811 6.909 ( 1.801 -0.325 -1.594) 2.427 7.091 ( 0.560 2.744 3.415) 4.416 7.135 ( -0.772 -1.150 -0.836) 1.618 7.283 ( -1.665 1.157 0.269) 2.045 7.311 ( 1.478 -1.087 -2.407) 3.026 7.373 ( 3.609 -0.515 -0.117) 3.648 7.401 ( -1.536 -2.557 -2.489) 3.885 7.716 ( -0.483 1.391 1.630) 2.197 7.742 ( 0.409 -0.705 -1.060) 1.337 7.780 ( -2.640 1.929 3.480) 4.775 7.826 ( -0.921 -2.585 0.639) 2.817 7.871 ( 1.326 1.677 -2.157) 3.037 7.895 ( 1.896 -0.946 -2.709) 3.439 8.087 ( -0.615 1.086 -1.324) 1.820 8.094 ( -1.624 0.488 -1.804) 2.476 8.223 ( 0.989 0.845 1.965) 2.357 8.252 ( 1.198 -1.482 -0.055) 1.906 8.277 ( -0.671 1.402 -0.229) 1.571 8.294 ( -1.411 -0.449 -1.514) 2.118 8.538 ( -1.811 0.573 1.631) 2.503 8.544 ( 0.151 0.300 0.805) 0.872 8.576 ( -0.306 0.074 -0.137) 0.344 8.594 ( 1.933 -1.494 -1.588) 2.913 9.063 ( 0.078 1.724 0.763) 1.887 9.081 ( 0.568 0.262 -0.955) 1.141 9.157 ( -0.079 -0.341 1.274) 1.321 9.172 ( -0.053 -1.542 -0.170) 1.552 13.348 ( 1.136 12.633 2.700) 12.968 13.407 ( -0.925 12.595 -3.235) 13.037 13.631 ( 0.606 -11.631 3.334) 12.115 13.698 ( -0.808 -12.382 -3.442) 12.877 17.043 ( 2.985 0.289 5.994) 6.702 17.049 ( 2.588 -0.337 5.531) 6.116 17.152 ( -4.495 0.278 2.931) 5.374 17.161 ( -3.990 0.063 -1.716) 4.344 17.180 ( -2.276 -0.168 -2.190) 3.164 17.197 ( -2.983 -2.294 2.937) 4.773 17.324 ( 3.022 -0.193 -7.181) 7.793 17.350 ( 3.269 -2.360 -7.261) 8.306 17.780 ( -0.640 0.593 7.108) 7.161 17.797 ( -1.093 -0.893 6.994) 7.135 17.928 ( 2.357 0.427 -6.869) 7.275 17.940 ( 2.669 -0.808 -6.543) 7.112 17.996 ( 1.951 1.704 1.741) 3.121 18.013 ( -0.315 0.312 0.308) 0.540 18.174 ( -0.395 0.830 -0.377) 0.993 18.184 ( -1.453 0.021 -1.094) 1.819 18.779 ( -1.010 -0.941 1.112) 1.773 18.782 ( 0.153 -1.152 0.790) 1.406 18.941 ( 0.092 -0.253 -0.769) 0.814 18.941 ( 0.423 -0.284 -0.757) 0.913 19.511 ( 0.199 0.193 8.784) 8.788 19.544 ( -1.401 -2.850 9.271) 9.800 19.686 ( -0.667 1.461 -8.863) 9.007 19.723 ( 0.908 -2.036 -8.780) 9.059 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 6.400 4.317 2.430) 8.093 1.589 ( 8.865 9.345 -2.113) 13.053 1.703 ( 0.974 -3.259 5.796) 6.720 1.898 ( 7.060 -9.256 -1.765) 11.774 2.119 ( -5.036 5.374 -4.180) 8.468 2.228 ( -1.249 -0.852 -0.913) 1.766 2.250 ( -7.149 7.545 -2.370) 10.660 2.394 ( 4.709 -0.015 2.029) 5.128 2.501 ( -5.440 -6.817 -3.342) 9.340 2.543 ( 5.120 -4.578 0.234) 6.872 2.588 ( 2.164 4.300 1.425) 5.020 2.687 ( 6.743 -2.066 -1.340) 7.178 2.842 ( 0.752 -0.494 1.932) 2.131 2.906 ( 4.344 -3.919 1.220) 5.976 2.962 ( 2.837 6.048 -0.244) 6.685 3.064 ( -1.508 3.439 3.750) 5.307 3.107 ( 3.042 1.590 4.958) 6.031 3.145 ( 3.182 1.342 1.201) 3.657 3.387 ( -0.588 1.474 -3.637) 3.968 3.404 ( -1.390 0.574 -3.018) 3.372 3.594 ( -1.352 4.549 0.448) 4.767 3.651 ( -1.328 -2.032 1.643) 2.932 3.754 ( -1.932 6.802 -0.363) 7.081 3.904 ( -0.862 -1.669 -1.079) 2.166 3.969 ( -2.039 -0.161 0.220) 2.057 4.029 ( -3.949 -5.272 -1.259) 6.706 4.068 ( -0.928 1.937 -1.298) 2.510 4.123 ( 0.430 -0.327 0.040) 0.542 4.272 ( -4.099 5.316 1.577) 6.896 4.297 ( -4.513 1.847 1.574) 5.124 4.339 ( -3.194 -1.931 2.905) 4.729 4.366 ( -1.278 -1.357 -1.484) 2.382 4.538 ( 1.959 0.388 -2.162) 2.943 4.576 ( -1.119 3.529 -1.098) 3.861 4.609 ( 4.563 -5.295 -1.371) 7.123 4.674 ( 2.918 -4.586 0.166) 5.438 5.209 ( -3.560 0.980 -2.162) 4.279 5.243 ( -3.831 -2.379 0.217) 4.515 5.295 ( -0.061 4.038 3.023) 5.044 5.363 ( -0.240 -2.900 -0.448) 2.944 5.369 ( -2.445 -0.906 -2.399) 3.543 5.445 ( 1.781 -6.686 0.499) 6.937 5.697 ( 1.033 0.904 -0.400) 1.430 5.742 ( 2.452 -3.361 3.158) 5.223 5.878 ( -2.335 1.805 -0.509) 2.995 5.893 ( -0.490 -1.224 -5.646) 5.798 5.966 ( 3.541 -1.034 3.961) 5.413 6.014 ( 2.363 -3.961 8.996) 10.110 6.635 ( 0.549 1.973 -3.161) 3.766 6.674 ( 0.973 -1.725 -1.044) 2.239 6.763 ( -1.539 4.179 0.585) 4.492 6.836 ( -0.325 -2.554 1.171) 2.828 6.873 ( 2.764 3.528 -3.276) 5.551 6.938 ( 2.428 -2.069 -3.053) 4.415 7.111 ( -0.886 3.057 -1.083) 3.362 7.124 ( 0.210 2.278 1.057) 2.520 7.229 ( -3.240 -0.433 1.015) 3.423 7.288 ( -1.618 -4.849 -2.208) 5.569 7.380 ( 2.349 3.019 -1.958) 4.297 7.446 ( 2.591 -2.928 -0.505) 3.942 7.700 ( -3.211 2.128 2.351) 4.513 7.723 ( -0.564 0.169 -1.152) 1.294 7.759 ( -2.882 -1.348 3.574) 4.785 7.791 ( -2.559 -2.854 0.787) 3.914 7.866 ( 0.339 2.588 -1.881) 3.218 7.904 ( 1.519 -0.699 -2.007) 2.612 8.058 ( -2.033 1.413 1.990) 3.177 8.083 ( -0.616 -0.153 2.715) 2.788 8.218 ( -1.200 0.940 -1.317) 2.015 8.241 ( 0.095 -1.519 -1.290) 1.996 8.299 ( 1.632 1.712 0.635) 2.449 8.329 ( 2.815 -0.942 1.185) 3.196 8.492 ( -2.591 1.347 0.447) 2.954 8.524 ( -2.116 -1.814 1.345) 3.095 8.614 ( 2.556 0.610 -0.129) 2.631 8.624 ( 2.214 -0.413 -1.403) 2.654 9.062 ( -0.445 1.292 -0.143) 1.374 9.076 ( -0.024 0.107 -1.114) 1.120 9.155 ( -0.519 0.427 0.145) 0.687 9.180 ( 0.485 -1.690 -0.019) 1.759 13.358 ( -0.520 12.954 -2.720) 13.247 13.398 ( 0.963 11.668 2.329) 11.937 13.635 ( -1.370 -10.951 -1.379) 11.123 13.682 ( 0.281 -12.731 1.796) 12.860 17.073 ( 0.891 2.327 -3.285) 4.123 17.089 ( 1.776 1.277 -5.328) 5.759 17.173 ( -1.603 -1.101 4.729) 5.113 17.174 ( -2.126 -1.507 7.677) 8.107 17.228 ( 5.990 -0.407 6.105) 8.562 17.248 ( 6.914 -1.197 5.632) 8.998 17.329 ( 4.536 -0.830 -4.660) 6.556 17.342 ( 3.668 -2.357 -6.956) 8.210 17.803 ( -3.711 0.295 6.189) 7.223 17.811 ( -3.529 -0.354 4.295) 5.570 17.856 ( -2.062 0.915 -7.322) 7.661 17.872 ( -1.430 -0.343 -9.211) 9.327 18.002 ( 1.075 1.422 -2.066) 2.729 18.033 ( 1.174 -1.178 -1.074) 1.980 18.169 ( 0.199 1.889 1.466) 2.400 18.197 ( 0.799 -0.641 1.285) 1.644 18.780 ( 0.490 0.787 0.829) 1.244 18.816 ( 1.976 -2.555 0.865) 3.344 18.920 ( -0.888 1.087 -0.453) 1.475 18.951 ( 0.593 -1.885 -0.712) 2.101 19.570 ( -1.766 1.774 -2.913) 3.840 19.597 ( -2.445 -1.496 6.051) 6.696 19.601 ( -1.608 -0.484 5.722) 5.963 19.645 ( 0.483 -3.410 -6.768) 7.594 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.20e-05 5.20e-05 5.20e-05 5.20e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 5.545 11.401 4.763) 13.543 1.775 ( 8.321 6.929 -2.100) 11.030 1.856 ( 10.274 4.670 5.633) 12.613 1.998 ( 2.631 5.643 3.120) 6.965 2.029 ( -9.123 12.890 -1.761) 15.890 2.107 ( 4.532 -8.140 2.280) 9.591 2.245 ( -1.874 -9.540 1.437) 9.828 2.362 ( 2.203 -16.380 -7.975) 18.351 2.512 ( 0.162 1.934 -1.091) 2.226 2.579 ( -0.313 -1.070 -0.745) 1.341 2.651 ( -1.339 1.797 -5.415) 5.860 2.716 ( 3.743 -5.221 0.131) 6.426 2.862 ( -0.258 2.582 -3.252) 4.160 2.931 ( 2.463 -3.429 -4.881) 6.453 3.017 ( -1.645 8.305 7.611) 11.385 3.095 ( -0.059 2.621 3.519) 4.388 3.176 ( 3.272 4.483 1.360) 5.714 3.245 ( 0.541 -1.710 0.843) 1.982 3.342 ( 1.188 4.200 0.629) 4.409 3.384 ( 0.719 0.964 -2.882) 3.123 3.572 ( -2.182 8.309 2.036) 8.829 3.702 ( 1.675 1.160 5.556) 5.918 3.734 ( -0.413 4.147 -0.106) 4.169 3.800 ( -4.925 -2.295 -0.803) 5.492 3.873 ( -4.836 -5.218 1.113) 7.201 3.985 ( -0.762 -8.307 -2.421) 8.686 4.049 ( 0.807 0.772 -2.270) 2.529 4.113 ( -0.995 -2.196 -1.594) 2.890 4.186 ( -2.261 4.190 -1.989) 5.160 4.247 ( -4.014 -0.518 -2.149) 4.582 4.270 ( -1.754 3.422 1.930) 4.302 4.362 ( 0.014 -4.022 -1.558) 4.313 4.534 ( -1.621 3.858 2.268) 4.760 4.575 ( 2.437 3.994 -3.089) 5.606 4.663 ( 1.549 -5.412 0.886) 5.698 4.717 ( 1.498 -5.833 -0.738) 6.068 5.124 ( -1.995 1.828 -1.734) 3.214 5.182 ( -1.999 -3.374 0.694) 3.983 5.263 ( -3.523 4.940 -2.624) 6.611 5.318 ( -1.028 -2.210 -2.311) 3.359 5.376 ( 1.838 -1.132 1.777) 2.796 5.473 ( 0.334 -8.711 0.210) 8.720 5.755 ( -0.140 -0.200 1.864) 1.880 5.769 ( -0.150 -1.160 0.710) 1.368 5.902 ( 5.225 0.921 4.022) 6.658 5.943 ( 4.866 -2.088 7.574) 9.241 6.085 ( 1.246 1.303 9.070) 9.247 6.154 ( 1.454 -4.181 11.102) 11.952 6.580 ( -2.654 1.401 -5.789) 6.521 6.612 ( -3.471 -1.672 -5.766) 6.935 6.693 ( -0.311 5.716 -9.859) 11.401 6.811 ( 1.122 -5.238 -9.601) 10.994 6.911 ( 1.212 2.368 1.664) 3.138 6.937 ( 0.801 0.164 -0.844) 1.175 7.081 ( -0.490 3.262 -0.846) 3.405 7.118 ( -0.817 2.423 -1.746) 3.097 7.188 ( -0.700 -0.013 0.309) 0.765 7.263 ( -0.831 -4.601 -0.314) 4.686 7.403 ( 1.191 1.402 -0.894) 2.045 7.441 ( -0.784 -1.768 -2.162) 2.901 7.665 ( -3.073 2.424 3.748) 5.419 7.714 ( -2.464 -2.244 2.484) 4.157 7.758 ( 2.127 0.669 1.201) 2.533 7.790 ( 1.199 -1.948 0.477) 2.337 7.865 ( 1.175 2.340 0.514) 2.668 7.918 ( 1.957 -1.927 -0.643) 2.821 8.036 ( -3.600 3.110 2.910) 5.576 8.104 ( -1.834 -2.083 4.417) 5.217 8.180 ( -0.805 2.271 -1.717) 2.959 8.243 ( 1.324 -3.004 -0.532) 3.326 8.307 ( -0.413 2.442 -1.636) 2.968 8.360 ( -0.476 -2.400 -0.643) 2.530 8.476 ( 0.298 2.560 1.441) 2.952 8.514 ( -0.414 -1.075 1.161) 1.635 8.645 ( 0.811 0.162 0.272) 0.871 8.654 ( 2.056 -0.546 -0.907) 2.313 9.050 ( -0.180 1.594 -0.874) 1.827 9.057 ( -0.623 0.589 -1.115) 1.406 9.149 ( -0.061 0.366 -0.040) 0.373 9.180 ( -0.162 -2.218 -0.602) 2.304 13.346 ( 1.306 12.527 -1.016) 12.636 13.419 ( -0.656 10.514 0.762) 10.562 13.615 ( 0.507 -10.286 -0.427) 10.307 13.685 ( -1.672 -11.976 1.176) 12.149 17.098 ( 3.651 2.768 -1.600) 4.853 17.114 ( 4.216 1.590 -2.732) 5.269 17.169 ( -2.886 1.075 4.852) 5.747 17.215 ( -0.371 -1.139 6.754) 6.859 17.293 ( 1.347 -1.542 -4.912) 5.322 17.330 ( 3.255 -3.400 -3.885) 6.103 17.464 ( 4.538 0.451 3.957) 6.038 17.487 ( 6.923 -1.775 4.290) 8.336 17.689 ( -2.378 4.258 -6.949) 8.490 17.744 ( 1.226 -0.503 -9.601) 9.692 17.780 ( -5.386 -0.594 5.398) 7.649 17.802 ( -3.740 -2.098 3.078) 5.278 18.017 ( 2.563 0.829 -1.843) 3.264 18.048 ( 1.998 -2.009 -1.061) 3.026 18.177 ( -1.133 1.462 0.450) 1.904 18.195 ( -1.630 -0.279 -0.619) 1.766 18.810 ( 1.625 1.965 0.651) 2.631 18.859 ( 1.116 -1.710 0.585) 2.124 18.901 ( -0.434 0.292 -0.269) 0.588 18.946 ( -0.180 -3.126 -1.077) 3.311 19.519 ( 1.669 2.781 -3.850) 5.034 19.573 ( -2.850 -2.172 1.674) 3.955 19.606 ( -2.566 -0.976 3.660) 4.575 19.635 ( -1.494 -3.533 2.320) 4.483 =================== 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 3/29160 10.0 629.099 535.674 593.702 0.000 -82.060 0.000 3/29160 20.0 109.426 102.878 106.442 0.000 -11.790 0.000 3/29160 30.0 40.566 39.013 39.643 0.000 -3.578 0.000 3/29160 40.0 21.780 21.224 21.252 0.000 -1.708 0.000 3/29160 50.0 14.181 13.951 13.844 0.000 -1.032 0.000 3/29160 60.0 10.312 10.219 10.094 0.000 -0.708 0.000 3/29160 70.0 8.039 8.012 7.898 0.000 -0.526 0.000 3/29160 80.0 6.567 6.578 6.480 0.000 -0.411 0.000 3/29160 90.0 5.547 5.581 5.496 0.000 -0.333 0.000 3/29160 100.0 4.802 4.851 4.777 0.000 -0.279 0.000 3/29160 110.0 4.235 4.296 4.229 0.000 -0.238 0.000 3/29160 120.0 3.791 3.860 3.798 0.000 -0.208 0.000 3/29160 130.0 3.434 3.508 3.450 0.000 -0.184 0.000 3/29160 140.0 3.140 3.219 3.163 0.000 -0.165 0.000 3/29160 150.0 2.894 2.976 2.922 0.000 -0.149 0.000 3/29160 160.0 2.685 2.770 2.717 0.000 -0.137 0.000 3/29160 170.0 2.506 2.592 2.540 0.000 -0.126 0.000 3/29160 180.0 2.349 2.437 2.386 0.000 -0.117 0.000 3/29160 190.0 2.212 2.300 2.250 0.000 -0.109 0.000 3/29160 200.0 2.091 2.179 2.130 0.000 -0.102 0.000 3/29160 210.0 1.983 2.070 2.022 0.000 -0.097 0.000 3/29160 220.0 1.886 1.972 1.925 0.000 -0.091 0.000 3/29160 230.0 1.798 1.884 1.838 0.000 -0.087 0.000 3/29160 240.0 1.719 1.803 1.758 0.000 -0.082 0.000 3/29160 250.0 1.646 1.729 1.685 0.000 -0.079 0.000 3/29160 260.0 1.579 1.662 1.618 0.000 -0.075 0.000 3/29160 270.0 1.518 1.599 1.557 0.000 -0.072 0.000 3/29160 280.0 1.462 1.541 1.500 0.000 -0.069 0.000 3/29160 290.0 1.409 1.487 1.447 0.000 -0.067 0.000 3/29160 300.0 1.361 1.437 1.398 0.000 -0.064 0.000 3/29160 310.0 1.315 1.391 1.352 0.000 -0.062 0.000 3/29160 320.0 1.273 1.347 1.309 0.000 -0.060 0.000 3/29160 330.0 1.233 1.306 1.269 0.000 -0.058 0.000 3/29160 340.0 1.196 1.267 1.231 0.000 -0.056 0.000 3/29160 350.0 1.161 1.231 1.195 0.000 -0.055 0.000 3/29160 360.0 1.128 1.197 1.162 0.000 -0.053 0.000 3/29160 370.0 1.097 1.164 1.130 0.000 -0.051 0.000 3/29160 380.0 1.068 1.134 1.100 0.000 -0.050 0.000 3/29160 390.0 1.040 1.105 1.072 0.000 -0.049 0.000 3/29160 400.0 1.014 1.077 1.045 0.000 -0.047 0.000 3/29160 410.0 0.988 1.051 1.019 0.000 -0.046 0.000 3/29160 420.0 0.965 1.026 0.995 0.000 -0.045 0.000 3/29160 430.0 0.942 1.002 0.972 0.000 -0.044 0.000 3/29160 440.0 0.920 0.979 0.949 0.000 -0.043 0.000 3/29160 450.0 0.899 0.958 0.928 0.000 -0.042 0.000 3/29160 460.0 0.880 0.937 0.908 0.000 -0.041 0.000 3/29160 470.0 0.861 0.917 0.889 0.000 -0.040 0.000 3/29160 480.0 0.843 0.898 0.870 0.000 -0.039 0.000 3/29160 490.0 0.825 0.879 0.852 0.000 -0.038 0.000 3/29160 500.0 0.809 0.862 0.835 0.000 -0.038 0.000 3/29160 510.0 0.793 0.845 0.819 0.000 -0.037 0.000 3/29160 520.0 0.777 0.829 0.803 0.000 -0.036 0.000 3/29160 530.0 0.763 0.813 0.788 0.000 -0.036 0.000 3/29160 540.0 0.748 0.798 0.773 0.000 -0.035 0.000 3/29160 550.0 0.735 0.784 0.759 0.000 -0.034 0.000 3/29160 560.0 0.721 0.770 0.746 0.000 -0.034 0.000 3/29160 570.0 0.709 0.756 0.733 0.000 -0.033 0.000 3/29160 580.0 0.696 0.743 0.720 0.000 -0.032 0.000 3/29160 590.0 0.685 0.731 0.708 0.000 -0.032 0.000 3/29160 600.0 0.673 0.719 0.696 0.000 -0.031 0.000 3/29160 610.0 0.662 0.707 0.684 0.000 -0.031 0.000 3/29160 620.0 0.651 0.695 0.673 0.000 -0.030 0.000 3/29160 630.0 0.641 0.684 0.663 0.000 -0.030 0.000 3/29160 640.0 0.631 0.674 0.652 0.000 -0.029 0.000 3/29160 650.0 0.621 0.663 0.642 0.000 -0.029 0.000 3/29160 660.0 0.612 0.653 0.633 0.000 -0.028 0.000 3/29160 670.0 0.602 0.644 0.623 0.000 -0.028 0.000 3/29160 680.0 0.594 0.634 0.614 0.000 -0.028 0.000 3/29160 690.0 0.585 0.625 0.605 0.000 -0.027 0.000 3/29160 700.0 0.577 0.616 0.596 0.000 -0.027 0.000 3/29160 710.0 0.568 0.607 0.588 0.000 -0.026 0.000 3/29160 720.0 0.560 0.599 0.580 0.000 -0.026 0.000 3/29160 730.0 0.553 0.591 0.572 0.000 -0.026 0.000 3/29160 740.0 0.545 0.583 0.564 0.000 -0.025 0.000 3/29160 750.0 0.538 0.575 0.557 0.000 -0.025 0.000 3/29160 760.0 0.531 0.568 0.549 0.000 -0.025 0.000 3/29160 770.0 0.524 0.560 0.542 0.000 -0.024 0.000 3/29160 780.0 0.517 0.553 0.535 0.000 -0.024 0.000 3/29160 790.0 0.511 0.546 0.529 0.000 -0.024 0.000 3/29160 800.0 0.504 0.539 0.522 0.000 -0.023 0.000 3/29160 810.0 0.498 0.533 0.516 0.000 -0.023 0.000 3/29160 820.0 0.492 0.526 0.509 0.000 -0.023 0.000 3/29160 830.0 0.486 0.520 0.503 0.000 -0.023 0.000 3/29160 840.0 0.480 0.514 0.497 0.000 -0.022 0.000 3/29160 850.0 0.475 0.508 0.491 0.000 -0.022 0.000 3/29160 860.0 0.469 0.502 0.486 0.000 -0.022 0.000 3/29160 870.0 0.464 0.496 0.480 0.000 -0.022 0.000 3/29160 880.0 0.458 0.490 0.475 0.000 -0.021 0.000 3/29160 890.0 0.453 0.485 0.469 0.000 -0.021 0.000 3/29160 900.0 0.448 0.479 0.464 0.000 -0.021 0.000 3/29160 910.0 0.443 0.474 0.459 0.000 -0.021 0.000 3/29160 920.0 0.438 0.469 0.454 0.000 -0.020 0.000 3/29160 930.0 0.434 0.464 0.449 0.000 -0.020 0.000 3/29160 940.0 0.429 0.459 0.444 0.000 -0.020 0.000 3/29160 950.0 0.425 0.454 0.440 0.000 -0.020 0.000 3/29160 960.0 0.420 0.449 0.435 0.000 -0.019 0.000 3/29160 970.0 0.416 0.445 0.430 0.000 -0.019 0.000 3/29160 980.0 0.411 0.440 0.426 0.000 -0.019 0.000 3/29160 990.0 0.407 0.436 0.422 0.000 -0.019 0.000 3/29160 1000.0 0.403 0.432 0.418 0.000 -0.019 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:17:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|