----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:03:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.003233460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.970151550000000 3.432463185000001 c 0.000000000000000 -5.970151550000000 3.432463185000001 Atomic positions (fractional): *1 K 0.75000000000000 0.25626542016634 0.09021563858839 39.098 2 K 0.25000000000000 0.09021563858839 0.25626542016634 39.098 *3 Sr 0.52977635407600 0.85615802641908 0.28594128813239 87.620 *4 Sr 0.00000000000000 0.71709761641810 0.71709761641810 87.620 5 Sr 0.97022364592400 0.85615802641908 0.28594128813239 87.620 6 Sr 0.50000000000000 0.71709761641810 0.71709761641810 87.620 7 Sr 0.02977635407600 0.28594128813239 0.85615802641908 87.620 8 Sr 0.47022364592400 0.28594128813239 0.85615802641908 87.620 *9 Sr 0.75000000000000 0.29186136427488 0.58481727389287 87.620 10 Sr 0.25000000000000 0.58481727389287 0.29186136427488 87.620 *11 B 0.75000000000000 0.86786980488145 0.61920466636042 10.811 *12 B 0.75000000000000 0.68899161737518 0.02978788913481 10.811 13 B 0.25000000000000 0.61920466636042 0.86786980488145 10.811 *14 B 0.00000000000000 0.28741731797141 0.28741731797141 10.811 15 B 0.25000000000000 0.02978788913481 0.68899161737518 10.811 16 B 0.50000000000000 0.28741731797141 0.28741731797141 10.811 *17 O 0.75000000000000 0.90936116545201 0.20300804628276 15.999 *18 O 0.85888072561532 0.57097338516983 0.94444932811973 15.999 19 O 0.25000000000000 0.20300804628276 0.90936116545201 15.999 *20 O 0.02566013129299 0.48685197103784 0.28977266234878 15.999 *21 O 0.14110544148549 0.65773243729203 0.98978885773249 15.999 22 O 0.14111927438468 0.94444932811973 0.57097338516983 15.999 23 O 0.97433986870701 0.28977266234878 0.48685197103784 15.999 24 O 0.64110544148549 0.98978885773249 0.65773243729203 15.999 25 O 0.35889455851451 0.65773243729203 0.98978885773249 15.999 *26 O 0.25000000000000 0.55746748561876 0.64495928962030 15.999 27 O 0.75000000000000 0.64495928962030 0.55746748561876 15.999 28 O 0.64111927438468 0.57097338516983 0.94444932811973 15.999 29 O 0.35888072561531 0.94444932811973 0.57097338516983 15.999 30 O 0.47433986870701 0.48685197103784 0.28977266234878 15.999 31 O 0.85889455851451 0.98978885773249 0.65773243729203 15.999 32 O 0.52566013129299 0.28977266234878 0.48685197103784 15.999 *33 O 0.50000000000000 0.08651230853409 0.08651230853409 15.999 34 O 0.00000000000000 0.08651230853409 0.08651230853409 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.003233460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.940303100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.864926370000002 Atomic positions (fractional): *1 K 0.75000000000000 0.08302489078898 0.17324052937737 39.098 > 1 2 K 0.25000000000000 0.41697510921102 0.67324052937737 39.098 > 2 3 K 0.75000000000000 0.58302489078898 0.67324052937737 39.098 > 1 4 K 0.25000000000000 0.91697510921102 0.17324052937737 39.098 > 2 *5 Sr 0.52977635407600 0.28510836914335 0.57104965727573 87.620 > 3 *6 Sr 0.00000000000000 0.00000000000000 0.71709761641810 87.620 > 4 7 Sr 0.97022364592400 0.28510836914335 0.57104965727573 87.620 > 5 8 Sr 0.50000000000000 0.00000000000000 0.71709761641810 87.620 > 6 9 Sr 0.02977635407600 0.21489163085665 0.07104965727574 87.620 > 7 10 Sr 0.47022364592400 0.21489163085665 0.07104965727574 87.620 > 8 *11 Sr 0.75000000000000 0.35352204519100 0.93833931908388 87.620 > 9 12 Sr 0.25000000000000 0.14647795480900 0.43833931908388 87.620 > 10 13 Sr 0.52977635407600 0.78510836914335 0.07104965727574 87.620 > 3 14 Sr 0.00000000000000 0.50000000000000 0.21709761641810 87.620 > 4 15 Sr 0.97022364592400 0.78510836914335 0.07104965727574 87.620 > 5 16 Sr 0.50000000000000 0.50000000000000 0.21709761641810 87.620 > 6 17 Sr 0.02977635407600 0.71489163085665 0.57104965727573 87.620 > 7 18 Sr 0.47022364592400 0.71489163085665 0.57104965727573 87.620 > 8 19 Sr 0.75000000000000 0.85352204519100 0.43833931908388 87.620 > 9 20 Sr 0.25000000000000 0.64647795480900 0.93833931908388 87.620 > 10 *21 B 0.75000000000000 0.12433256926051 0.74353723562094 10.811 > 11 *22 B 0.75000000000000 0.32960186412018 0.35938975325500 10.811 > 12 23 B 0.25000000000000 0.37566743073949 0.24353723562094 10.811 > 13 *24 B 0.00000000000000 0.00000000000000 0.28741731797141 10.811 > 14 25 B 0.25000000000000 0.17039813587982 0.85938975325500 10.811 > 15 26 B 0.50000000000000 0.00000000000000 0.28741731797141 10.811 > 16 27 B 0.75000000000000 0.62433256926051 0.24353723562094 10.811 > 11 28 B 0.75000000000000 0.82960186412018 0.85938975325500 10.811 > 12 29 B 0.25000000000000 0.87566743073949 0.74353723562094 10.811 > 13 30 B 0.00000000000000 0.50000000000000 0.78741731797141 10.811 > 14 31 B 0.25000000000000 0.67039813587982 0.35938975325500 10.811 > 15 32 B 0.50000000000000 0.50000000000000 0.78741731797141 10.811 > 16 *33 O 0.75000000000000 0.35317655958463 0.55618460586738 15.999 > 17 *34 O 0.85888072561532 0.31326202852505 0.25771135664478 15.999 > 18 35 O 0.25000000000000 0.14682344041537 0.05618460586738 15.999 > 19 *36 O 0.02566013129299 0.09853965434453 0.38831231669331 15.999 > 20 *37 O 0.14110544148549 0.33397178977977 0.32376064751226 15.999 > 21 38 O 0.14111927438468 0.18673797147495 0.75771135664478 15.999 > 22 39 O 0.97433986870701 0.40146034565547 0.88831231669331 15.999 > 23 40 O 0.64110544148549 0.16602821022023 0.82376064751226 15.999 > 24 41 O 0.35889455851451 0.33397178977977 0.32376064751226 15.999 > 25 *42 O 0.25000000000000 0.45625409799923 0.10121338761953 15.999 > 26 43 O 0.75000000000000 0.04374590200077 0.60121338761953 15.999 > 27 44 O 0.64111927438468 0.31326202852505 0.25771135664478 15.999 > 28 45 O 0.35888072561531 0.18673797147495 0.75771135664478 15.999 > 29 46 O 0.47433986870701 0.09853965434453 0.38831231669331 15.999 > 30 47 O 0.85889455851451 0.16602821022023 0.82376064751226 15.999 > 31 48 O 0.52566013129299 0.40146034565547 0.88831231669331 15.999 > 32 *49 O 0.50000000000000 0.00000000000000 0.08651230853409 15.999 > 33 50 O 0.00000000000000 0.00000000000000 0.08651230853409 15.999 > 34 51 O 0.75000000000000 0.85317655958463 0.05618460586738 15.999 > 17 52 O 0.85888072561532 0.81326202852505 0.75771135664478 15.999 > 18 53 O 0.25000000000000 0.64682344041537 0.55618460586738 15.999 > 19 54 O 0.02566013129299 0.59853965434453 0.88831231669331 15.999 > 20 55 O 0.14110544148549 0.83397178977977 0.82376064751226 15.999 > 21 56 O 0.14111927438468 0.68673797147495 0.25771135664478 15.999 > 22 57 O 0.97433986870701 0.90146034565547 0.38831231669331 15.999 > 23 58 O 0.64110544148549 0.66602821022023 0.32376064751226 15.999 > 24 59 O 0.35889455851451 0.83397178977977 0.82376064751226 15.999 > 25 60 O 0.25000000000000 0.95625409799923 0.60121338761953 15.999 > 26 61 O 0.75000000000000 0.54374590200077 0.10121338761953 15.999 > 27 62 O 0.64111927438468 0.81326202852505 0.75771135664478 15.999 > 28 63 O 0.35888072561531 0.68673797147495 0.25771135664478 15.999 > 29 64 O 0.47433986870701 0.59853965434453 0.88831231669331 15.999 > 30 65 O 0.85889455851451 0.66602821022023 0.32376064751226 15.999 > 31 66 O 0.52566013129299 0.90146034565547 0.38831231669331 15.999 > 32 67 O 0.50000000000000 0.50000000000000 0.58651230853409 15.999 > 33 68 O 0.00000000000000 0.50000000000000 0.58651230853409 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.003233460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.940303100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.729852740000004 Atomic positions (fractional): *1 K 0.75000000000000 0.08302489078898 0.08662026468868 39.098 > 1 2 K 0.75000000000000 0.08302489078898 0.58662026468868 39.098 > 1 3 K 0.25000000000000 0.41697510921102 0.33662026468868 39.098 > 2 4 K 0.25000000000000 0.41697510921102 0.83662026468868 39.098 > 2 5 K 0.75000000000000 0.58302489078898 0.33662026468868 39.098 > 1 6 K 0.75000000000000 0.58302489078898 0.83662026468868 39.098 > 1 7 K 0.25000000000000 0.91697510921102 0.08662026468868 39.098 > 2 8 K 0.25000000000000 0.91697510921102 0.58662026468868 39.098 > 2 *9 Sr 0.52977635407600 0.28510836914335 0.28552482863787 87.620 > 3 10 Sr 0.52977635407600 0.28510836914335 0.78552482863787 87.620 > 3 *11 Sr 0.00000000000000 0.00000000000000 0.35854880820905 87.620 > 4 12 Sr 0.00000000000000 0.00000000000000 0.85854880820905 87.620 > 4 13 Sr 0.97022364592400 0.28510836914335 0.28552482863787 87.620 > 5 14 Sr 0.97022364592400 0.28510836914335 0.78552482863787 87.620 > 5 15 Sr 0.50000000000000 0.00000000000000 0.35854880820905 87.620 > 6 16 Sr 0.50000000000000 0.00000000000000 0.85854880820905 87.620 > 6 17 Sr 0.02977635407600 0.21489163085665 0.03552482863787 87.620 > 7 18 Sr 0.02977635407600 0.21489163085665 0.53552482863787 87.620 > 7 19 Sr 0.47022364592400 0.21489163085665 0.03552482863787 87.620 > 8 20 Sr 0.47022364592400 0.21489163085665 0.53552482863787 87.620 > 8 *21 Sr 0.75000000000000 0.35352204519100 0.46916965954194 87.620 > 9 22 Sr 0.75000000000000 0.35352204519100 0.96916965954194 87.620 > 9 23 Sr 0.25000000000000 0.14647795480900 0.21916965954194 87.620 > 10 24 Sr 0.25000000000000 0.14647795480900 0.71916965954194 87.620 > 10 25 Sr 0.52977635407600 0.78510836914335 0.03552482863787 87.620 > 3 26 Sr 0.52977635407600 0.78510836914335 0.53552482863787 87.620 > 3 27 Sr 0.00000000000000 0.50000000000000 0.10854880820905 87.620 > 4 28 Sr 0.00000000000000 0.50000000000000 0.60854880820905 87.620 > 4 29 Sr 0.97022364592400 0.78510836914335 0.03552482863787 87.620 > 5 30 Sr 0.97022364592400 0.78510836914335 0.53552482863787 87.620 > 5 31 Sr 0.50000000000000 0.50000000000000 0.10854880820905 87.620 > 6 32 Sr 0.50000000000000 0.50000000000000 0.60854880820905 87.620 > 6 33 Sr 0.02977635407600 0.71489163085665 0.28552482863787 87.620 > 7 34 Sr 0.02977635407600 0.71489163085665 0.78552482863787 87.620 > 7 35 Sr 0.47022364592400 0.71489163085665 0.28552482863787 87.620 > 8 36 Sr 0.47022364592400 0.71489163085665 0.78552482863787 87.620 > 8 37 Sr 0.75000000000000 0.85352204519100 0.21916965954194 87.620 > 9 38 Sr 0.75000000000000 0.85352204519100 0.71916965954194 87.620 > 9 39 Sr 0.25000000000000 0.64647795480900 0.46916965954194 87.620 > 10 40 Sr 0.25000000000000 0.64647795480900 0.96916965954194 87.620 > 10 *41 B 0.75000000000000 0.12433256926051 0.37176861781047 10.811 > 11 42 B 0.75000000000000 0.12433256926051 0.87176861781047 10.811 > 11 *43 B 0.75000000000000 0.32960186412018 0.17969487662750 10.811 > 12 44 B 0.75000000000000 0.32960186412018 0.67969487662750 10.811 > 12 45 B 0.25000000000000 0.37566743073949 0.12176861781047 10.811 > 13 46 B 0.25000000000000 0.37566743073949 0.62176861781047 10.811 > 13 *47 B 0.00000000000000 0.00000000000000 0.14370865898571 10.811 > 14 48 B 0.00000000000000 0.00000000000000 0.64370865898571 10.811 > 14 49 B 0.25000000000000 0.17039813587982 0.42969487662750 10.811 > 15 50 B 0.25000000000000 0.17039813587982 0.92969487662750 10.811 > 15 51 B 0.50000000000000 0.00000000000000 0.14370865898571 10.811 > 16 52 B 0.50000000000000 0.00000000000000 0.64370865898571 10.811 > 16 53 B 0.75000000000000 0.62433256926051 0.12176861781047 10.811 > 11 54 B 0.75000000000000 0.62433256926051 0.62176861781047 10.811 > 11 55 B 0.75000000000000 0.82960186412018 0.42969487662750 10.811 > 12 56 B 0.75000000000000 0.82960186412018 0.92969487662750 10.811 > 12 57 B 0.25000000000000 0.87566743073949 0.37176861781047 10.811 > 13 58 B 0.25000000000000 0.87566743073949 0.87176861781047 10.811 > 13 59 B 0.00000000000000 0.50000000000000 0.39370865898571 10.811 > 14 60 B 0.00000000000000 0.50000000000000 0.89370865898571 10.811 > 14 61 B 0.25000000000000 0.67039813587982 0.17969487662750 10.811 > 15 62 B 0.25000000000000 0.67039813587982 0.67969487662750 10.811 > 15 63 B 0.50000000000000 0.50000000000000 0.39370865898571 10.811 > 16 64 B 0.50000000000000 0.50000000000000 0.89370865898571 10.811 > 16 *65 O 0.75000000000000 0.35317655958463 0.27809230293369 15.999 > 17 66 O 0.75000000000000 0.35317655958463 0.77809230293369 15.999 > 17 *67 O 0.85888072561532 0.31326202852505 0.12885567832239 15.999 > 18 68 O 0.85888072561532 0.31326202852505 0.62885567832239 15.999 > 18 69 O 0.25000000000000 0.14682344041537 0.02809230293369 15.999 > 19 70 O 0.25000000000000 0.14682344041537 0.52809230293369 15.999 > 19 *71 O 0.02566013129299 0.09853965434453 0.19415615834666 15.999 > 20 72 O 0.02566013129299 0.09853965434453 0.69415615834666 15.999 > 20 *73 O 0.14110544148549 0.33397178977977 0.16188032375613 15.999 > 21 74 O 0.14110544148549 0.33397178977977 0.66188032375613 15.999 > 21 75 O 0.14111927438468 0.18673797147495 0.37885567832239 15.999 > 22 76 O 0.14111927438468 0.18673797147495 0.87885567832239 15.999 > 22 77 O 0.97433986870701 0.40146034565547 0.44415615834666 15.999 > 23 78 O 0.97433986870701 0.40146034565547 0.94415615834666 15.999 > 23 79 O 0.64110544148549 0.16602821022023 0.41188032375613 15.999 > 24 80 O 0.64110544148549 0.16602821022023 0.91188032375613 15.999 > 24 81 O 0.35889455851451 0.33397178977977 0.16188032375613 15.999 > 25 82 O 0.35889455851451 0.33397178977977 0.66188032375613 15.999 > 25 *83 O 0.25000000000000 0.45625409799923 0.05060669380976 15.999 > 26 84 O 0.25000000000000 0.45625409799923 0.55060669380976 15.999 > 26 85 O 0.75000000000000 0.04374590200077 0.30060669380976 15.999 > 27 86 O 0.75000000000000 0.04374590200077 0.80060669380976 15.999 > 27 87 O 0.64111927438468 0.31326202852505 0.12885567832239 15.999 > 28 88 O 0.64111927438468 0.31326202852505 0.62885567832239 15.999 > 28 89 O 0.35888072561531 0.18673797147495 0.37885567832239 15.999 > 29 90 O 0.35888072561531 0.18673797147495 0.87885567832239 15.999 > 29 91 O 0.47433986870701 0.09853965434453 0.19415615834666 15.999 > 30 92 O 0.47433986870701 0.09853965434453 0.69415615834666 15.999 > 30 93 O 0.85889455851451 0.16602821022023 0.41188032375613 15.999 > 31 94 O 0.85889455851451 0.16602821022023 0.91188032375613 15.999 > 31 95 O 0.52566013129299 0.40146034565547 0.44415615834666 15.999 > 32 96 O 0.52566013129299 0.40146034565547 0.94415615834666 15.999 > 32 *97 O 0.50000000000000 0.00000000000000 0.04325615426705 15.999 > 33 98 O 0.50000000000000 0.00000000000000 0.54325615426705 15.999 > 33 99 O 0.00000000000000 0.00000000000000 0.04325615426705 15.999 > 34 100 O 0.00000000000000 0.00000000000000 0.54325615426705 15.999 > 34 101 O 0.75000000000000 0.85317655958463 0.02809230293369 15.999 > 17 102 O 0.75000000000000 0.85317655958463 0.52809230293369 15.999 > 17 103 O 0.85888072561532 0.81326202852505 0.37885567832239 15.999 > 18 104 O 0.85888072561532 0.81326202852505 0.87885567832239 15.999 > 18 105 O 0.25000000000000 0.64682344041537 0.27809230293369 15.999 > 19 106 O 0.25000000000000 0.64682344041537 0.77809230293369 15.999 > 19 107 O 0.02566013129299 0.59853965434453 0.44415615834666 15.999 > 20 108 O 0.02566013129299 0.59853965434453 0.94415615834666 15.999 > 20 109 O 0.14110544148549 0.83397178977977 0.41188032375613 15.999 > 21 110 O 0.14110544148549 0.83397178977977 0.91188032375613 15.999 > 21 111 O 0.14111927438468 0.68673797147495 0.12885567832239 15.999 > 22 112 O 0.14111927438468 0.68673797147495 0.62885567832239 15.999 > 22 113 O 0.97433986870701 0.90146034565547 0.19415615834666 15.999 > 23 114 O 0.97433986870701 0.90146034565547 0.69415615834666 15.999 > 23 115 O 0.64110544148549 0.66602821022023 0.16188032375613 15.999 > 24 116 O 0.64110544148549 0.66602821022023 0.66188032375613 15.999 > 24 117 O 0.35889455851451 0.83397178977977 0.41188032375613 15.999 > 25 118 O 0.35889455851451 0.83397178977977 0.91188032375613 15.999 > 25 119 O 0.25000000000000 0.95625409799923 0.30060669380976 15.999 > 26 120 O 0.25000000000000 0.95625409799923 0.80060669380976 15.999 > 26 121 O 0.75000000000000 0.54374590200077 0.05060669380976 15.999 > 27 122 O 0.75000000000000 0.54374590200077 0.55060669380976 15.999 > 27 123 O 0.64111927438468 0.81326202852505 0.37885567832239 15.999 > 28 124 O 0.64111927438468 0.81326202852505 0.87885567832239 15.999 > 28 125 O 0.35888072561531 0.68673797147495 0.12885567832239 15.999 > 29 126 O 0.35888072561531 0.68673797147495 0.62885567832239 15.999 > 29 127 O 0.47433986870701 0.59853965434453 0.44415615834666 15.999 > 30 128 O 0.47433986870701 0.59853965434453 0.94415615834666 15.999 > 30 129 O 0.85889455851451 0.66602821022023 0.16188032375613 15.999 > 31 130 O 0.85889455851451 0.66602821022023 0.66188032375613 15.999 > 31 131 O 0.52566013129299 0.90146034565547 0.19415615834666 15.999 > 32 132 O 0.52566013129299 0.90146034565547 0.69415615834666 15.999 > 32 133 O 0.50000000000000 0.50000000000000 0.29325615426705 15.999 > 33 134 O 0.50000000000000 0.50000000000000 0.79325615426705 15.999 > 33 135 O 0.00000000000000 0.50000000000000 0.29325615426705 15.999 > 34 136 O 0.00000000000000 0.50000000000000 0.79325615426705 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1304701 0.0000000 0.0000000 0.0000000 3.0896320 0.0000000 0.0000000 0.0000000 3.2400222 -------------------------- Born effective charges -------------------------- 1 K 1.2138658 -0.0000000 0.0000000 0.0000000 1.2098158 0.0067883 -0.0000000 0.0095834 1.2460025 2 K 1.2138658 -0.0000000 0.0000000 0.0000000 1.2098158 -0.0067883 -0.0000000 -0.0095834 1.2460025 3 Sr 2.5245412 0.1128328 0.0215187 0.0826962 2.4988193 -0.0154976 -0.0086097 -0.0132591 2.4897017 4 Sr 2.4622442 -0.0520814 0.0000000 -0.1456373 2.3797165 0.0000000 -0.0000000 0.0000000 2.6459458 5 Sr 2.5245412 -0.1128328 -0.0215187 -0.0826962 2.4988193 -0.0154976 0.0086097 -0.0132591 2.4897017 6 Sr 2.4622442 0.0520814 0.0000000 0.1456373 2.3797165 0.0000000 -0.0000000 0.0000000 2.6459458 7 Sr 2.5245412 -0.1128328 0.0215187 -0.0826962 2.4988193 0.0154976 -0.0086097 0.0132591 2.4897017 8 Sr 2.5245412 0.1128328 -0.0215187 0.0826962 2.4988193 0.0154976 0.0086097 0.0132591 2.4897017 9 Sr 2.3830079 -0.0000000 0.0000000 0.0000000 2.4118967 0.2947841 -0.0000000 0.3205748 2.7259291 10 Sr 2.3830079 -0.0000000 0.0000000 0.0000000 2.4118967 -0.2947841 -0.0000000 -0.3205748 2.7259291 11 B 2.6001782 -0.0000000 0.0000000 0.0000000 1.6754764 1.2433326 -0.0000000 1.0966844 1.5079867 12 B 2.6075027 -0.0000000 0.0000000 0.0000000 0.5007301 0.2913341 -0.0000000 0.4340535 2.6560884 13 B 2.6001782 -0.0000000 0.0000000 0.0000000 1.6754764 -1.2433326 -0.0000000 -1.0966844 1.5079867 14 B 0.4532332 0.6895758 0.0000000 0.5707996 2.4966083 0.0000000 -0.0000000 0.0000000 2.6642242 15 B 2.6075027 -0.0000000 0.0000000 0.0000000 0.5007301 -0.2913341 -0.0000000 -0.4340535 2.6560884 16 B 0.4532332 -0.6895758 0.0000000 -0.5707996 2.4966083 0.0000000 -0.0000000 0.0000000 2.6642242 17 O -1.7415166 -0.0000000 0.0000000 0.0000000 -1.1642871 -0.1877646 -0.0000000 -0.2509878 -2.6076429 18 O -2.4299217 0.1926182 0.3326931 0.1578166 -1.2611714 -0.0387431 0.3342041 -0.1075144 -2.0472416 19 O -1.7415166 -0.0000000 0.0000000 0.0000000 -1.1642871 0.1877646 -0.0000000 0.2509878 -2.6076429 20 O -1.3462157 -0.3486990 -0.1242946 -0.2857197 -2.3204664 -0.3318715 -0.1112363 -0.3269718 -2.0118987 21 O -2.4224071 -0.2646389 0.3127362 -0.2647089 -1.7266503 0.3197012 0.3117662 0.2583064 -1.6177759 22 O -2.4299217 0.1926182 -0.3326931 0.1578166 -1.2611714 0.0387431 -0.3342041 0.1075144 -2.0472416 23 O -1.3462157 -0.3486990 0.1242946 -0.2857197 -2.3204664 0.3318715 0.1112363 0.3269718 -2.0118987 24 O -2.4224071 0.2646389 0.3127362 0.2647089 -1.7266503 -0.3197012 0.3117662 -0.2583064 -1.6177759 25 O -2.4224071 0.2646389 -0.3127362 0.2647089 -1.7266503 0.3197012 -0.3117662 0.2583064 -1.6177759 26 O -1.5677733 -0.0000000 0.0000000 0.0000000 -2.1137941 0.8271609 -0.0000000 0.7805399 -1.8090928 27 O -1.5677733 -0.0000000 0.0000000 0.0000000 -2.1137941 -0.8271609 -0.0000000 -0.7805399 -1.8090928 28 O -2.4299217 -0.1926182 -0.3326931 -0.1578166 -1.2611714 -0.0387431 -0.3342041 -0.1075144 -2.0472416 29 O -2.4299217 -0.1926182 0.3326931 -0.1578166 -1.2611714 0.0387431 0.3342041 0.1075144 -2.0472416 30 O -1.3462157 0.3486990 0.1242946 0.2857197 -2.3204664 -0.3318715 0.1112363 -0.3269718 -2.0118987 31 O -2.4224071 -0.2646389 -0.3127362 -0.2647089 -1.7266503 -0.3197012 -0.3117662 -0.2583064 -1.6177759 32 O -1.3462157 0.3486990 -0.1242946 0.2857197 -2.3204664 0.3318715 -0.1112363 0.3269718 -2.0118987 33 O -1.0627356 0.1251932 0.0000000 0.1075823 -1.7772250 0.0000000 -0.0000000 0.0000000 -2.6550123 34 O -1.0627356 -0.1251932 0.0000000 -0.1075823 -1.7772250 0.0000000 -0.0000000 0.0000000 -2.6550123 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 408/408 Permutation basis: 24762/24762 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5394 Number of blocks in projector: 5394 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: 1264 Use submatrix version of eigh solver. (1) Block: 500 / 1264 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1264 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1264 / 1264 (1) 248 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1048 Use submatrix version of eigh solver. (1) Block: 500 / 1048 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1048 / 1048 (2) Block: 250 / 548 (2) 239 eigenvectors found. (2) Block: 548 / 548 (2) 284 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 976 / 976 (1) 468 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 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) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (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) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (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) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5394, 5313), data: False |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (976, 968), data: False |-- (976, 8), data: (976, 16) @ (16, 8) |-- (476, 468), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (1048, 1034), data: False |-- (1048, 14), data: (1048, 28) @ (28, 14) |-- (548, 534), data: False |-- (548, 11), data: (548, 25) @ (25, 11) |-- (298, 284), data: True |-- (250, 239), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1264, 1244), data: False |-- (1264, 36), data: (1264, 56) @ (56, 36) |-- (264, 248), data: True |-- (500, 480), data: False |-- (500, 12), data: (500, 32) @ (32, 12) |-- (250, 230), data: True |-- (250, 238), data: True |-- (500, 480), data: False |-- (500, 10), data: (500, 30) @ (30, 10) |-- (250, 232), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.561 Solver_block: 200 / 1040 - Time: 1.449 Solver_block: 300 / 1040 - Time: 1.480 Solver_block: 400 / 1040 - Time: 1.462 Solver_block: 500 / 1040 - Time: 1.481 Solver_block: 600 / 1040 - Time: 1.466 Solver_block: 700 / 1040 - Time: 1.466 Solver_block: 800 / 1040 - Time: 1.468 Solver_block: 900 / 1040 - Time: 1.480 Solver_block: 1000 / 1040 - Time: 1.483 Solver_block: 1040 / 1040 - Time: 0.739 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.970 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 24762/24762 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5394 Number of blocks in projector: 5394 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: 1264 Use submatrix version of eigh solver. (1) Block: 500 / 1264 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1264 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1264 / 1264 (1) 248 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1048 Use submatrix version of eigh solver. (1) Block: 500 / 1048 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1048 / 1048 (2) Block: 250 / 548 (2) 239 eigenvectors found. (2) Block: 548 / 548 (2) 284 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 976 / 976 (1) 468 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 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) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (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) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (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) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5394, 5313), data: False |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (702, 689), data: False |-- (702, 9), data: (702, 22) @ (22, 9) |-- (202, 193), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (976, 968), data: False |-- (976, 8), data: (976, 16) @ (16, 8) |-- (476, 468), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (1048, 1034), data: False |-- (1048, 14), data: (1048, 28) @ (28, 14) |-- (548, 534), data: False |-- (548, 11), data: (548, 25) @ (25, 11) |-- (298, 284), data: True |-- (250, 239), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1264, 1244), data: False |-- (1264, 36), data: (1264, 56) @ (56, 36) |-- (264, 248), data: True |-- (500, 480), data: False |-- (500, 12), data: (500, 32) @ (32, 12) |-- (250, 230), data: True |-- (250, 238), data: True |-- (500, 480), data: False |-- (500, 10), data: (500, 30) @ (30, 10) |-- (250, 232), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:04:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:04:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.003233460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.970151550000000 3.432463185000001 c 0.000000000000000 -5.970151550000000 3.432463185000001 Atomic positions (fractional): 1 K 0.75000000000000 0.25626542016634 0.09021563858839 39.098 2 K 0.25000000000000 0.09021563858839 0.25626542016634 39.098 3 Sr 0.52977635407600 0.85615802641908 0.28594128813239 87.620 4 Sr 0.00000000000000 0.71709761641810 0.71709761641810 87.620 5 Sr 0.97022364592400 0.85615802641908 0.28594128813239 87.620 6 Sr 0.50000000000000 0.71709761641810 0.71709761641810 87.620 7 Sr 0.02977635407600 0.28594128813239 0.85615802641908 87.620 8 Sr 0.47022364592400 0.28594128813239 0.85615802641908 87.620 9 Sr 0.75000000000000 0.29186136427488 0.58481727389287 87.620 10 Sr 0.25000000000000 0.58481727389287 0.29186136427488 87.620 11 B 0.75000000000000 0.86786980488145 0.61920466636042 10.811 12 B 0.75000000000000 0.68899161737518 0.02978788913481 10.811 13 B 0.25000000000000 0.61920466636042 0.86786980488145 10.811 14 B 0.00000000000000 0.28741731797141 0.28741731797141 10.811 15 B 0.25000000000000 0.02978788913481 0.68899161737518 10.811 16 B 0.50000000000000 0.28741731797141 0.28741731797141 10.811 17 O 0.75000000000000 0.90936116545201 0.20300804628276 15.999 18 O 0.85888072561532 0.57097338516983 0.94444932811973 15.999 19 O 0.25000000000000 0.20300804628276 0.90936116545201 15.999 20 O 0.02566013129299 0.48685197103784 0.28977266234878 15.999 21 O 0.14110544148549 0.65773243729203 0.98978885773249 15.999 22 O 0.14111927438468 0.94444932811973 0.57097338516983 15.999 23 O 0.97433986870701 0.28977266234878 0.48685197103784 15.999 24 O 0.64110544148549 0.98978885773249 0.65773243729203 15.999 25 O 0.35889455851451 0.65773243729203 0.98978885773249 15.999 26 O 0.25000000000000 0.55746748561876 0.64495928962030 15.999 27 O 0.75000000000000 0.64495928962030 0.55746748561876 15.999 28 O 0.64111927438468 0.57097338516983 0.94444932811973 15.999 29 O 0.35888072561531 0.94444932811973 0.57097338516983 15.999 30 O 0.47433986870701 0.48685197103784 0.28977266234878 15.999 31 O 0.85889455851451 0.98978885773249 0.65773243729203 15.999 32 O 0.52566013129299 0.28977266234878 0.48685197103784 15.999 33 O 0.50000000000000 0.08651230853409 0.08651230853409 15.999 34 O 0.00000000000000 0.08651230853409 0.08651230853409 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.003233460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.940303100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.729852740000004 Atomic positions (fractional): 1 K 0.75000000000000 0.08302489078898 0.08662026468868 39.098 > 1 2 K 0.75000000000000 0.08302489078898 0.58662026468868 39.098 > 1 3 K 0.25000000000000 0.41697510921102 0.33662026468868 39.098 > 3 4 K 0.25000000000000 0.41697510921102 0.83662026468868 39.098 > 3 5 K 0.75000000000000 0.58302489078898 0.33662026468868 39.098 > 1 6 K 0.75000000000000 0.58302489078898 0.83662026468868 39.098 > 1 7 K 0.25000000000000 0.91697510921102 0.08662026468868 39.098 > 3 8 K 0.25000000000000 0.91697510921102 0.58662026468868 39.098 > 3 9 Sr 0.52977635407600 0.28510836914335 0.28552482863787 87.620 > 9 10 Sr 0.52977635407600 0.28510836914335 0.78552482863787 87.620 > 9 11 Sr 0.00000000000000 0.00000000000000 0.35854880820905 87.620 > 11 12 Sr 0.00000000000000 0.00000000000000 0.85854880820905 87.620 > 11 13 Sr 0.97022364592400 0.28510836914335 0.28552482863787 87.620 > 13 14 Sr 0.97022364592400 0.28510836914335 0.78552482863787 87.620 > 13 15 Sr 0.50000000000000 0.00000000000000 0.35854880820905 87.620 > 15 16 Sr 0.50000000000000 0.00000000000000 0.85854880820905 87.620 > 15 17 Sr 0.02977635407600 0.21489163085665 0.03552482863787 87.620 > 17 18 Sr 0.02977635407600 0.21489163085665 0.53552482863787 87.620 > 17 19 Sr 0.47022364592400 0.21489163085665 0.03552482863787 87.620 > 19 20 Sr 0.47022364592400 0.21489163085665 0.53552482863787 87.620 > 19 21 Sr 0.75000000000000 0.35352204519100 0.46916965954194 87.620 > 21 22 Sr 0.75000000000000 0.35352204519100 0.96916965954194 87.620 > 21 23 Sr 0.25000000000000 0.14647795480900 0.21916965954194 87.620 > 23 24 Sr 0.25000000000000 0.14647795480900 0.71916965954194 87.620 > 23 25 Sr 0.52977635407600 0.78510836914335 0.03552482863787 87.620 > 9 26 Sr 0.52977635407600 0.78510836914335 0.53552482863787 87.620 > 9 27 Sr 0.00000000000000 0.50000000000000 0.10854880820905 87.620 > 11 28 Sr 0.00000000000000 0.50000000000000 0.60854880820905 87.620 > 11 29 Sr 0.97022364592400 0.78510836914335 0.03552482863787 87.620 > 13 30 Sr 0.97022364592400 0.78510836914335 0.53552482863787 87.620 > 13 31 Sr 0.50000000000000 0.50000000000000 0.10854880820905 87.620 > 15 32 Sr 0.50000000000000 0.50000000000000 0.60854880820905 87.620 > 15 33 Sr 0.02977635407600 0.71489163085665 0.28552482863787 87.620 > 17 34 Sr 0.02977635407600 0.71489163085665 0.78552482863787 87.620 > 17 35 Sr 0.47022364592400 0.71489163085665 0.28552482863787 87.620 > 19 36 Sr 0.47022364592400 0.71489163085665 0.78552482863787 87.620 > 19 37 Sr 0.75000000000000 0.85352204519100 0.21916965954194 87.620 > 21 38 Sr 0.75000000000000 0.85352204519100 0.71916965954194 87.620 > 21 39 Sr 0.25000000000000 0.64647795480900 0.46916965954194 87.620 > 23 40 Sr 0.25000000000000 0.64647795480900 0.96916965954194 87.620 > 23 41 B 0.75000000000000 0.12433256926051 0.37176861781047 10.811 > 41 42 B 0.75000000000000 0.12433256926051 0.87176861781047 10.811 > 41 43 B 0.75000000000000 0.32960186412018 0.17969487662750 10.811 > 43 44 B 0.75000000000000 0.32960186412018 0.67969487662750 10.811 > 43 45 B 0.25000000000000 0.37566743073949 0.12176861781047 10.811 > 45 46 B 0.25000000000000 0.37566743073949 0.62176861781047 10.811 > 45 47 B 0.00000000000000 0.00000000000000 0.14370865898571 10.811 > 47 48 B 0.00000000000000 0.00000000000000 0.64370865898571 10.811 > 47 49 B 0.25000000000000 0.17039813587982 0.42969487662750 10.811 > 49 50 B 0.25000000000000 0.17039813587982 0.92969487662750 10.811 > 49 51 B 0.50000000000000 0.00000000000000 0.14370865898571 10.811 > 51 52 B 0.50000000000000 0.00000000000000 0.64370865898571 10.811 > 51 53 B 0.75000000000000 0.62433256926051 0.12176861781047 10.811 > 41 54 B 0.75000000000000 0.62433256926051 0.62176861781047 10.811 > 41 55 B 0.75000000000000 0.82960186412018 0.42969487662750 10.811 > 43 56 B 0.75000000000000 0.82960186412018 0.92969487662750 10.811 > 43 57 B 0.25000000000000 0.87566743073949 0.37176861781047 10.811 > 45 58 B 0.25000000000000 0.87566743073949 0.87176861781047 10.811 > 45 59 B 0.00000000000000 0.50000000000000 0.39370865898571 10.811 > 47 60 B 0.00000000000000 0.50000000000000 0.89370865898571 10.811 > 47 61 B 0.25000000000000 0.67039813587982 0.17969487662750 10.811 > 49 62 B 0.25000000000000 0.67039813587982 0.67969487662750 10.811 > 49 63 B 0.50000000000000 0.50000000000000 0.39370865898571 10.811 > 51 64 B 0.50000000000000 0.50000000000000 0.89370865898571 10.811 > 51 65 O 0.75000000000000 0.35317655958463 0.27809230293369 15.999 > 65 66 O 0.75000000000000 0.35317655958463 0.77809230293369 15.999 > 65 67 O 0.85888072561532 0.31326202852505 0.12885567832239 15.999 > 67 68 O 0.85888072561532 0.31326202852505 0.62885567832239 15.999 > 67 69 O 0.25000000000000 0.14682344041537 0.02809230293369 15.999 > 69 70 O 0.25000000000000 0.14682344041537 0.52809230293369 15.999 > 69 71 O 0.02566013129299 0.09853965434453 0.19415615834666 15.999 > 71 72 O 0.02566013129299 0.09853965434453 0.69415615834666 15.999 > 71 73 O 0.14110544148549 0.33397178977977 0.16188032375613 15.999 > 73 74 O 0.14110544148549 0.33397178977977 0.66188032375613 15.999 > 73 75 O 0.14111927438468 0.18673797147495 0.37885567832239 15.999 > 75 76 O 0.14111927438468 0.18673797147495 0.87885567832239 15.999 > 75 77 O 0.97433986870701 0.40146034565547 0.44415615834666 15.999 > 77 78 O 0.97433986870701 0.40146034565547 0.94415615834666 15.999 > 77 79 O 0.64110544148549 0.16602821022023 0.41188032375613 15.999 > 79 80 O 0.64110544148549 0.16602821022023 0.91188032375613 15.999 > 79 81 O 0.35889455851451 0.33397178977977 0.16188032375613 15.999 > 81 82 O 0.35889455851451 0.33397178977977 0.66188032375613 15.999 > 81 83 O 0.25000000000000 0.45625409799923 0.05060669380976 15.999 > 83 84 O 0.25000000000000 0.45625409799923 0.55060669380976 15.999 > 83 85 O 0.75000000000000 0.04374590200077 0.30060669380976 15.999 > 85 86 O 0.75000000000000 0.04374590200077 0.80060669380976 15.999 > 85 87 O 0.64111927438468 0.31326202852505 0.12885567832239 15.999 > 87 88 O 0.64111927438468 0.31326202852505 0.62885567832239 15.999 > 87 89 O 0.35888072561531 0.18673797147495 0.37885567832239 15.999 > 89 90 O 0.35888072561531 0.18673797147495 0.87885567832239 15.999 > 89 91 O 0.47433986870701 0.09853965434453 0.19415615834666 15.999 > 91 92 O 0.47433986870701 0.09853965434453 0.69415615834666 15.999 > 91 93 O 0.85889455851451 0.16602821022023 0.41188032375613 15.999 > 93 94 O 0.85889455851451 0.16602821022023 0.91188032375613 15.999 > 93 95 O 0.52566013129299 0.40146034565547 0.44415615834666 15.999 > 95 96 O 0.52566013129299 0.40146034565547 0.94415615834666 15.999 > 95 97 O 0.50000000000000 0.00000000000000 0.04325615426705 15.999 > 97 98 O 0.50000000000000 0.00000000000000 0.54325615426705 15.999 > 97 99 O 0.00000000000000 0.00000000000000 0.04325615426705 15.999 > 99 100 O 0.00000000000000 0.00000000000000 0.54325615426705 15.999 > 99 101 O 0.75000000000000 0.85317655958463 0.02809230293369 15.999 > 65 102 O 0.75000000000000 0.85317655958463 0.52809230293369 15.999 > 65 103 O 0.85888072561532 0.81326202852505 0.37885567832239 15.999 > 67 104 O 0.85888072561532 0.81326202852505 0.87885567832239 15.999 > 67 105 O 0.25000000000000 0.64682344041537 0.27809230293369 15.999 > 69 106 O 0.25000000000000 0.64682344041537 0.77809230293369 15.999 > 69 107 O 0.02566013129299 0.59853965434453 0.44415615834666 15.999 > 71 108 O 0.02566013129299 0.59853965434453 0.94415615834666 15.999 > 71 109 O 0.14110544148549 0.83397178977977 0.41188032375613 15.999 > 73 110 O 0.14110544148549 0.83397178977977 0.91188032375613 15.999 > 73 111 O 0.14111927438468 0.68673797147495 0.12885567832239 15.999 > 75 112 O 0.14111927438468 0.68673797147495 0.62885567832239 15.999 > 75 113 O 0.97433986870701 0.90146034565547 0.19415615834666 15.999 > 77 114 O 0.97433986870701 0.90146034565547 0.69415615834666 15.999 > 77 115 O 0.64110544148549 0.66602821022023 0.16188032375613 15.999 > 79 116 O 0.64110544148549 0.66602821022023 0.66188032375613 15.999 > 79 117 O 0.35889455851451 0.83397178977977 0.41188032375613 15.999 > 81 118 O 0.35889455851451 0.83397178977977 0.91188032375613 15.999 > 81 119 O 0.25000000000000 0.95625409799923 0.30060669380976 15.999 > 83 120 O 0.25000000000000 0.95625409799923 0.80060669380976 15.999 > 83 121 O 0.75000000000000 0.54374590200077 0.05060669380976 15.999 > 85 122 O 0.75000000000000 0.54374590200077 0.55060669380976 15.999 > 85 123 O 0.64111927438468 0.81326202852505 0.37885567832239 15.999 > 87 124 O 0.64111927438468 0.81326202852505 0.87885567832239 15.999 > 87 125 O 0.35888072561531 0.68673797147495 0.12885567832239 15.999 > 89 126 O 0.35888072561531 0.68673797147495 0.62885567832239 15.999 > 89 127 O 0.47433986870701 0.59853965434453 0.44415615834666 15.999 > 91 128 O 0.47433986870701 0.59853965434453 0.94415615834666 15.999 > 91 129 O 0.85889455851451 0.66602821022023 0.16188032375613 15.999 > 93 130 O 0.85889455851451 0.66602821022023 0.66188032375613 15.999 > 93 131 O 0.52566013129299 0.90146034565547 0.19415615834666 15.999 > 95 132 O 0.52566013129299 0.90146034565547 0.69415615834666 15.999 > 95 133 O 0.50000000000000 0.50000000000000 0.29325615426705 15.999 > 97 134 O 0.50000000000000 0.50000000000000 0.79325615426705 15.999 > 97 135 O 0.00000000000000 0.50000000000000 0.29325615426705 15.999 > 99 136 O 0.00000000000000 0.50000000000000 0.79325615426705 15.999 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1304701 0.0000000 0.0000000 0.0000000 3.0896320 0.0000000 0.0000000 0.0000000 3.2400222 -------------------------- Born effective charges -------------------------- 1 K 1.2138658 -0.0000000 0.0000000 0.0000000 1.2098158 0.0067883 -0.0000000 0.0095834 1.2460025 2 K 1.2138658 -0.0000000 0.0000000 0.0000000 1.2098158 -0.0067883 -0.0000000 -0.0095834 1.2460025 3 Sr 2.5245412 0.1128328 0.0215187 0.0826962 2.4988193 -0.0154976 -0.0086097 -0.0132591 2.4897017 4 Sr 2.4622442 -0.0520814 0.0000000 -0.1456373 2.3797165 0.0000000 -0.0000000 0.0000000 2.6459458 5 Sr 2.5245412 -0.1128328 -0.0215187 -0.0826962 2.4988193 -0.0154976 0.0086097 -0.0132591 2.4897017 6 Sr 2.4622442 0.0520814 0.0000000 0.1456373 2.3797165 0.0000000 -0.0000000 0.0000000 2.6459458 7 Sr 2.5245412 -0.1128328 0.0215187 -0.0826962 2.4988193 0.0154976 -0.0086097 0.0132591 2.4897017 8 Sr 2.5245412 0.1128328 -0.0215187 0.0826962 2.4988193 0.0154976 0.0086097 0.0132591 2.4897017 9 Sr 2.3830079 -0.0000000 0.0000000 0.0000000 2.4118967 0.2947841 -0.0000000 0.3205748 2.7259291 10 Sr 2.3830079 -0.0000000 0.0000000 0.0000000 2.4118967 -0.2947841 -0.0000000 -0.3205748 2.7259291 11 B 2.6001782 -0.0000000 0.0000000 0.0000000 1.6754764 1.2433326 -0.0000000 1.0966844 1.5079867 12 B 2.6075027 -0.0000000 0.0000000 0.0000000 0.5007301 0.2913341 -0.0000000 0.4340535 2.6560884 13 B 2.6001782 -0.0000000 0.0000000 0.0000000 1.6754764 -1.2433326 -0.0000000 -1.0966844 1.5079867 14 B 0.4532332 0.6895758 0.0000000 0.5707996 2.4966083 0.0000000 -0.0000000 0.0000000 2.6642242 15 B 2.6075027 -0.0000000 0.0000000 0.0000000 0.5007301 -0.2913341 -0.0000000 -0.4340535 2.6560884 16 B 0.4532332 -0.6895758 0.0000000 -0.5707996 2.4966083 0.0000000 -0.0000000 0.0000000 2.6642242 17 O -1.7415166 -0.0000000 0.0000000 0.0000000 -1.1642871 -0.1877646 -0.0000000 -0.2509878 -2.6076429 18 O -2.4299217 0.1926182 0.3326931 0.1578166 -1.2611714 -0.0387431 0.3342041 -0.1075144 -2.0472416 19 O -1.7415166 -0.0000000 0.0000000 0.0000000 -1.1642871 0.1877646 -0.0000000 0.2509878 -2.6076429 20 O -1.3462157 -0.3486990 -0.1242946 -0.2857197 -2.3204664 -0.3318715 -0.1112363 -0.3269718 -2.0118987 21 O -2.4224071 -0.2646389 0.3127362 -0.2647089 -1.7266503 0.3197012 0.3117662 0.2583064 -1.6177759 22 O -2.4299217 0.1926182 -0.3326931 0.1578166 -1.2611714 0.0387431 -0.3342041 0.1075144 -2.0472416 23 O -1.3462157 -0.3486990 0.1242946 -0.2857197 -2.3204664 0.3318715 0.1112363 0.3269718 -2.0118987 24 O -2.4224071 0.2646389 0.3127362 0.2647089 -1.7266503 -0.3197012 0.3117662 -0.2583064 -1.6177759 25 O -2.4224071 0.2646389 -0.3127362 0.2647089 -1.7266503 0.3197012 -0.3117662 0.2583064 -1.6177759 26 O -1.5677733 -0.0000000 0.0000000 0.0000000 -2.1137941 0.8271609 -0.0000000 0.7805399 -1.8090928 27 O -1.5677733 -0.0000000 0.0000000 0.0000000 -2.1137941 -0.8271609 -0.0000000 -0.7805399 -1.8090928 28 O -2.4299217 -0.1926182 -0.3326931 -0.1578166 -1.2611714 -0.0387431 -0.3342041 -0.1075144 -2.0472416 29 O -2.4299217 -0.1926182 0.3326931 -0.1578166 -1.2611714 0.0387431 0.3342041 0.1075144 -2.0472416 30 O -1.3462157 0.3486990 0.1242946 0.2857197 -2.3204664 -0.3318715 0.1112363 -0.3269718 -2.0118987 31 O -2.4224071 -0.2646389 -0.3127362 -0.2647089 -1.7266503 -0.3197012 -0.3117662 -0.2583064 -1.6177759 32 O -1.3462157 0.3486990 -0.1242946 0.2857197 -2.3204664 0.3318715 -0.1112363 0.3269718 -2.0118987 33 O -1.0627356 0.1251932 0.0000000 0.1075823 -1.7772250 0.0000000 -0.0000000 0.0000000 -2.6550123 34 O -1.0627356 -0.1251932 0.0000000 -0.1075823 -1.7772250 0.0000000 -0.0000000 0.0000000 -2.6550123 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 83, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 11:05:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:05:20]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.003233460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.970151550000000 3.432463185000001 c 0.000000000000000 -5.970151550000000 3.432463185000001 Atomic positions (fractional): 1 K 0.75000000000000 0.25626542016634 0.09021563858839 39.098 2 K 0.25000000000000 0.09021563858839 0.25626542016634 39.098 3 Sr 0.52977635407600 0.85615802641908 0.28594128813239 87.620 4 Sr 0.00000000000000 0.71709761641810 0.71709761641810 87.620 5 Sr 0.97022364592400 0.85615802641908 0.28594128813239 87.620 6 Sr 0.50000000000000 0.71709761641810 0.71709761641810 87.620 7 Sr 0.02977635407600 0.28594128813239 0.85615802641908 87.620 8 Sr 0.47022364592400 0.28594128813239 0.85615802641908 87.620 9 Sr 0.75000000000000 0.29186136427488 0.58481727389287 87.620 10 Sr 0.25000000000000 0.58481727389287 0.29186136427488 87.620 11 B 0.75000000000000 0.86786980488145 0.61920466636042 10.811 12 B 0.75000000000000 0.68899161737518 0.02978788913481 10.811 13 B 0.25000000000000 0.61920466636042 0.86786980488145 10.811 14 B 0.00000000000000 0.28741731797141 0.28741731797141 10.811 15 B 0.25000000000000 0.02978788913481 0.68899161737518 10.811 16 B 0.50000000000000 0.28741731797141 0.28741731797141 10.811 17 O 0.75000000000000 0.90936116545201 0.20300804628276 15.999 18 O 0.85888072561532 0.57097338516983 0.94444932811973 15.999 19 O 0.25000000000000 0.20300804628276 0.90936116545201 15.999 20 O 0.02566013129299 0.48685197103784 0.28977266234878 15.999 21 O 0.14110544148549 0.65773243729203 0.98978885773249 15.999 22 O 0.14111927438468 0.94444932811973 0.57097338516983 15.999 23 O 0.97433986870701 0.28977266234878 0.48685197103784 15.999 24 O 0.64110544148549 0.98978885773249 0.65773243729203 15.999 25 O 0.35889455851451 0.65773243729203 0.98978885773249 15.999 26 O 0.25000000000000 0.55746748561876 0.64495928962030 15.999 27 O 0.75000000000000 0.64495928962030 0.55746748561876 15.999 28 O 0.64111927438468 0.57097338516983 0.94444932811973 15.999 29 O 0.35888072561531 0.94444932811973 0.57097338516983 15.999 30 O 0.47433986870701 0.48685197103784 0.28977266234878 15.999 31 O 0.85889455851451 0.98978885773249 0.65773243729203 15.999 32 O 0.52566013129299 0.28977266234878 0.48685197103784 15.999 33 O 0.50000000000000 0.08651230853409 0.08651230853409 15.999 34 O 0.00000000000000 0.08651230853409 0.08651230853409 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.003233460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.940303100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.729852740000004 Atomic positions (fractional): 1 K 0.75000000000000 0.08302489078898 0.08662026468868 39.098 > 1 2 K 0.75000000000000 0.08302489078898 0.58662026468868 39.098 > 1 3 K 0.25000000000000 0.41697510921102 0.33662026468868 39.098 > 3 4 K 0.25000000000000 0.41697510921102 0.83662026468868 39.098 > 3 5 K 0.75000000000000 0.58302489078898 0.33662026468868 39.098 > 1 6 K 0.75000000000000 0.58302489078898 0.83662026468868 39.098 > 1 7 K 0.25000000000000 0.91697510921102 0.08662026468868 39.098 > 3 8 K 0.25000000000000 0.91697510921102 0.58662026468868 39.098 > 3 9 Sr 0.52977635407600 0.28510836914335 0.28552482863787 87.620 > 9 10 Sr 0.52977635407600 0.28510836914335 0.78552482863787 87.620 > 9 11 Sr 0.00000000000000 0.00000000000000 0.35854880820905 87.620 > 11 12 Sr 0.00000000000000 0.00000000000000 0.85854880820905 87.620 > 11 13 Sr 0.97022364592400 0.28510836914335 0.28552482863787 87.620 > 13 14 Sr 0.97022364592400 0.28510836914335 0.78552482863787 87.620 > 13 15 Sr 0.50000000000000 0.00000000000000 0.35854880820905 87.620 > 15 16 Sr 0.50000000000000 0.00000000000000 0.85854880820905 87.620 > 15 17 Sr 0.02977635407600 0.21489163085665 0.03552482863787 87.620 > 17 18 Sr 0.02977635407600 0.21489163085665 0.53552482863787 87.620 > 17 19 Sr 0.47022364592400 0.21489163085665 0.03552482863787 87.620 > 19 20 Sr 0.47022364592400 0.21489163085665 0.53552482863787 87.620 > 19 21 Sr 0.75000000000000 0.35352204519100 0.46916965954194 87.620 > 21 22 Sr 0.75000000000000 0.35352204519100 0.96916965954194 87.620 > 21 23 Sr 0.25000000000000 0.14647795480900 0.21916965954194 87.620 > 23 24 Sr 0.25000000000000 0.14647795480900 0.71916965954194 87.620 > 23 25 Sr 0.52977635407600 0.78510836914335 0.03552482863787 87.620 > 9 26 Sr 0.52977635407600 0.78510836914335 0.53552482863787 87.620 > 9 27 Sr 0.00000000000000 0.50000000000000 0.10854880820905 87.620 > 11 28 Sr 0.00000000000000 0.50000000000000 0.60854880820905 87.620 > 11 29 Sr 0.97022364592400 0.78510836914335 0.03552482863787 87.620 > 13 30 Sr 0.97022364592400 0.78510836914335 0.53552482863787 87.620 > 13 31 Sr 0.50000000000000 0.50000000000000 0.10854880820905 87.620 > 15 32 Sr 0.50000000000000 0.50000000000000 0.60854880820905 87.620 > 15 33 Sr 0.02977635407600 0.71489163085665 0.28552482863787 87.620 > 17 34 Sr 0.02977635407600 0.71489163085665 0.78552482863787 87.620 > 17 35 Sr 0.47022364592400 0.71489163085665 0.28552482863787 87.620 > 19 36 Sr 0.47022364592400 0.71489163085665 0.78552482863787 87.620 > 19 37 Sr 0.75000000000000 0.85352204519100 0.21916965954194 87.620 > 21 38 Sr 0.75000000000000 0.85352204519100 0.71916965954194 87.620 > 21 39 Sr 0.25000000000000 0.64647795480900 0.46916965954194 87.620 > 23 40 Sr 0.25000000000000 0.64647795480900 0.96916965954194 87.620 > 23 41 B 0.75000000000000 0.12433256926051 0.37176861781047 10.811 > 41 42 B 0.75000000000000 0.12433256926051 0.87176861781047 10.811 > 41 43 B 0.75000000000000 0.32960186412018 0.17969487662750 10.811 > 43 44 B 0.75000000000000 0.32960186412018 0.67969487662750 10.811 > 43 45 B 0.25000000000000 0.37566743073949 0.12176861781047 10.811 > 45 46 B 0.25000000000000 0.37566743073949 0.62176861781047 10.811 > 45 47 B 0.00000000000000 0.00000000000000 0.14370865898571 10.811 > 47 48 B 0.00000000000000 0.00000000000000 0.64370865898571 10.811 > 47 49 B 0.25000000000000 0.17039813587982 0.42969487662750 10.811 > 49 50 B 0.25000000000000 0.17039813587982 0.92969487662750 10.811 > 49 51 B 0.50000000000000 0.00000000000000 0.14370865898571 10.811 > 51 52 B 0.50000000000000 0.00000000000000 0.64370865898571 10.811 > 51 53 B 0.75000000000000 0.62433256926051 0.12176861781047 10.811 > 41 54 B 0.75000000000000 0.62433256926051 0.62176861781047 10.811 > 41 55 B 0.75000000000000 0.82960186412018 0.42969487662750 10.811 > 43 56 B 0.75000000000000 0.82960186412018 0.92969487662750 10.811 > 43 57 B 0.25000000000000 0.87566743073949 0.37176861781047 10.811 > 45 58 B 0.25000000000000 0.87566743073949 0.87176861781047 10.811 > 45 59 B 0.00000000000000 0.50000000000000 0.39370865898571 10.811 > 47 60 B 0.00000000000000 0.50000000000000 0.89370865898571 10.811 > 47 61 B 0.25000000000000 0.67039813587982 0.17969487662750 10.811 > 49 62 B 0.25000000000000 0.67039813587982 0.67969487662750 10.811 > 49 63 B 0.50000000000000 0.50000000000000 0.39370865898571 10.811 > 51 64 B 0.50000000000000 0.50000000000000 0.89370865898571 10.811 > 51 65 O 0.75000000000000 0.35317655958463 0.27809230293369 15.999 > 65 66 O 0.75000000000000 0.35317655958463 0.77809230293369 15.999 > 65 67 O 0.85888072561532 0.31326202852505 0.12885567832239 15.999 > 67 68 O 0.85888072561532 0.31326202852505 0.62885567832239 15.999 > 67 69 O 0.25000000000000 0.14682344041537 0.02809230293369 15.999 > 69 70 O 0.25000000000000 0.14682344041537 0.52809230293369 15.999 > 69 71 O 0.02566013129299 0.09853965434453 0.19415615834666 15.999 > 71 72 O 0.02566013129299 0.09853965434453 0.69415615834666 15.999 > 71 73 O 0.14110544148549 0.33397178977977 0.16188032375613 15.999 > 73 74 O 0.14110544148549 0.33397178977977 0.66188032375613 15.999 > 73 75 O 0.14111927438468 0.18673797147495 0.37885567832239 15.999 > 75 76 O 0.14111927438468 0.18673797147495 0.87885567832239 15.999 > 75 77 O 0.97433986870701 0.40146034565547 0.44415615834666 15.999 > 77 78 O 0.97433986870701 0.40146034565547 0.94415615834666 15.999 > 77 79 O 0.64110544148549 0.16602821022023 0.41188032375613 15.999 > 79 80 O 0.64110544148549 0.16602821022023 0.91188032375613 15.999 > 79 81 O 0.35889455851451 0.33397178977977 0.16188032375613 15.999 > 81 82 O 0.35889455851451 0.33397178977977 0.66188032375613 15.999 > 81 83 O 0.25000000000000 0.45625409799923 0.05060669380976 15.999 > 83 84 O 0.25000000000000 0.45625409799923 0.55060669380976 15.999 > 83 85 O 0.75000000000000 0.04374590200077 0.30060669380976 15.999 > 85 86 O 0.75000000000000 0.04374590200077 0.80060669380976 15.999 > 85 87 O 0.64111927438468 0.31326202852505 0.12885567832239 15.999 > 87 88 O 0.64111927438468 0.31326202852505 0.62885567832239 15.999 > 87 89 O 0.35888072561531 0.18673797147495 0.37885567832239 15.999 > 89 90 O 0.35888072561531 0.18673797147495 0.87885567832239 15.999 > 89 91 O 0.47433986870701 0.09853965434453 0.19415615834666 15.999 > 91 92 O 0.47433986870701 0.09853965434453 0.69415615834666 15.999 > 91 93 O 0.85889455851451 0.16602821022023 0.41188032375613 15.999 > 93 94 O 0.85889455851451 0.16602821022023 0.91188032375613 15.999 > 93 95 O 0.52566013129299 0.40146034565547 0.44415615834666 15.999 > 95 96 O 0.52566013129299 0.40146034565547 0.94415615834666 15.999 > 95 97 O 0.50000000000000 0.00000000000000 0.04325615426705 15.999 > 97 98 O 0.50000000000000 0.00000000000000 0.54325615426705 15.999 > 97 99 O 0.00000000000000 0.00000000000000 0.04325615426705 15.999 > 99 100 O 0.00000000000000 0.00000000000000 0.54325615426705 15.999 > 99 101 O 0.75000000000000 0.85317655958463 0.02809230293369 15.999 > 65 102 O 0.75000000000000 0.85317655958463 0.52809230293369 15.999 > 65 103 O 0.85888072561532 0.81326202852505 0.37885567832239 15.999 > 67 104 O 0.85888072561532 0.81326202852505 0.87885567832239 15.999 > 67 105 O 0.25000000000000 0.64682344041537 0.27809230293369 15.999 > 69 106 O 0.25000000000000 0.64682344041537 0.77809230293369 15.999 > 69 107 O 0.02566013129299 0.59853965434453 0.44415615834666 15.999 > 71 108 O 0.02566013129299 0.59853965434453 0.94415615834666 15.999 > 71 109 O 0.14110544148549 0.83397178977977 0.41188032375613 15.999 > 73 110 O 0.14110544148549 0.83397178977977 0.91188032375613 15.999 > 73 111 O 0.14111927438468 0.68673797147495 0.12885567832239 15.999 > 75 112 O 0.14111927438468 0.68673797147495 0.62885567832239 15.999 > 75 113 O 0.97433986870701 0.90146034565547 0.19415615834666 15.999 > 77 114 O 0.97433986870701 0.90146034565547 0.69415615834666 15.999 > 77 115 O 0.64110544148549 0.66602821022023 0.16188032375613 15.999 > 79 116 O 0.64110544148549 0.66602821022023 0.66188032375613 15.999 > 79 117 O 0.35889455851451 0.83397178977977 0.41188032375613 15.999 > 81 118 O 0.35889455851451 0.83397178977977 0.91188032375613 15.999 > 81 119 O 0.25000000000000 0.95625409799923 0.30060669380976 15.999 > 83 120 O 0.25000000000000 0.95625409799923 0.80060669380976 15.999 > 83 121 O 0.75000000000000 0.54374590200077 0.05060669380976 15.999 > 85 122 O 0.75000000000000 0.54374590200077 0.55060669380976 15.999 > 85 123 O 0.64111927438468 0.81326202852505 0.37885567832239 15.999 > 87 124 O 0.64111927438468 0.81326202852505 0.87885567832239 15.999 > 87 125 O 0.35888072561531 0.68673797147495 0.12885567832239 15.999 > 89 126 O 0.35888072561531 0.68673797147495 0.62885567832239 15.999 > 89 127 O 0.47433986870701 0.59853965434453 0.44415615834666 15.999 > 91 128 O 0.47433986870701 0.59853965434453 0.94415615834666 15.999 > 91 129 O 0.85889455851451 0.66602821022023 0.16188032375613 15.999 > 93 130 O 0.85889455851451 0.66602821022023 0.66188032375613 15.999 > 93 131 O 0.52566013129299 0.90146034565547 0.19415615834666 15.999 > 95 132 O 0.52566013129299 0.90146034565547 0.69415615834666 15.999 > 95 133 O 0.50000000000000 0.50000000000000 0.29325615426705 15.999 > 97 134 O 0.50000000000000 0.50000000000000 0.79325615426705 15.999 > 97 135 O 0.00000000000000 0.50000000000000 0.29325615426705 15.999 > 99 136 O 0.00000000000000 0.50000000000000 0.79325615426705 15.999 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1304701 0.0000000 0.0000000 0.0000000 3.0896320 0.0000000 0.0000000 0.0000000 3.2400222 -------------------------- Born effective charges -------------------------- 1 K 1.2138658 -0.0000000 0.0000000 0.0000000 1.2098158 0.0067883 -0.0000000 0.0095834 1.2460025 2 K 1.2138658 -0.0000000 0.0000000 0.0000000 1.2098158 -0.0067883 -0.0000000 -0.0095834 1.2460025 3 Sr 2.5245412 0.1128328 0.0215187 0.0826962 2.4988193 -0.0154976 -0.0086097 -0.0132591 2.4897017 4 Sr 2.4622442 -0.0520814 0.0000000 -0.1456373 2.3797165 0.0000000 -0.0000000 0.0000000 2.6459458 5 Sr 2.5245412 -0.1128328 -0.0215187 -0.0826962 2.4988193 -0.0154976 0.0086097 -0.0132591 2.4897017 6 Sr 2.4622442 0.0520814 0.0000000 0.1456373 2.3797165 0.0000000 -0.0000000 0.0000000 2.6459458 7 Sr 2.5245412 -0.1128328 0.0215187 -0.0826962 2.4988193 0.0154976 -0.0086097 0.0132591 2.4897017 8 Sr 2.5245412 0.1128328 -0.0215187 0.0826962 2.4988193 0.0154976 0.0086097 0.0132591 2.4897017 9 Sr 2.3830079 -0.0000000 0.0000000 0.0000000 2.4118967 0.2947841 -0.0000000 0.3205748 2.7259291 10 Sr 2.3830079 -0.0000000 0.0000000 0.0000000 2.4118967 -0.2947841 -0.0000000 -0.3205748 2.7259291 11 B 2.6001782 -0.0000000 0.0000000 0.0000000 1.6754764 1.2433326 -0.0000000 1.0966844 1.5079867 12 B 2.6075027 -0.0000000 0.0000000 0.0000000 0.5007301 0.2913341 -0.0000000 0.4340535 2.6560884 13 B 2.6001782 -0.0000000 0.0000000 0.0000000 1.6754764 -1.2433326 -0.0000000 -1.0966844 1.5079867 14 B 0.4532332 0.6895758 0.0000000 0.5707996 2.4966083 0.0000000 -0.0000000 0.0000000 2.6642242 15 B 2.6075027 -0.0000000 0.0000000 0.0000000 0.5007301 -0.2913341 -0.0000000 -0.4340535 2.6560884 16 B 0.4532332 -0.6895758 0.0000000 -0.5707996 2.4966083 0.0000000 -0.0000000 0.0000000 2.6642242 17 O -1.7415166 -0.0000000 0.0000000 0.0000000 -1.1642871 -0.1877646 -0.0000000 -0.2509878 -2.6076429 18 O -2.4299217 0.1926182 0.3326931 0.1578166 -1.2611714 -0.0387431 0.3342041 -0.1075144 -2.0472416 19 O -1.7415166 -0.0000000 0.0000000 0.0000000 -1.1642871 0.1877646 -0.0000000 0.2509878 -2.6076429 20 O -1.3462157 -0.3486990 -0.1242946 -0.2857197 -2.3204664 -0.3318715 -0.1112363 -0.3269718 -2.0118987 21 O -2.4224071 -0.2646389 0.3127362 -0.2647089 -1.7266503 0.3197012 0.3117662 0.2583064 -1.6177759 22 O -2.4299217 0.1926182 -0.3326931 0.1578166 -1.2611714 0.0387431 -0.3342041 0.1075144 -2.0472416 23 O -1.3462157 -0.3486990 0.1242946 -0.2857197 -2.3204664 0.3318715 0.1112363 0.3269718 -2.0118987 24 O -2.4224071 0.2646389 0.3127362 0.2647089 -1.7266503 -0.3197012 0.3117662 -0.2583064 -1.6177759 25 O -2.4224071 0.2646389 -0.3127362 0.2647089 -1.7266503 0.3197012 -0.3117662 0.2583064 -1.6177759 26 O -1.5677733 -0.0000000 0.0000000 0.0000000 -2.1137941 0.8271609 -0.0000000 0.7805399 -1.8090928 27 O -1.5677733 -0.0000000 0.0000000 0.0000000 -2.1137941 -0.8271609 -0.0000000 -0.7805399 -1.8090928 28 O -2.4299217 -0.1926182 -0.3326931 -0.1578166 -1.2611714 -0.0387431 -0.3342041 -0.1075144 -2.0472416 29 O -2.4299217 -0.1926182 0.3326931 -0.1578166 -1.2611714 0.0387431 0.3342041 0.1075144 -2.0472416 30 O -1.3462157 0.3486990 0.1242946 0.2857197 -2.3204664 -0.3318715 0.1112363 -0.3269718 -2.0118987 31 O -2.4224071 -0.2646389 -0.3127362 -0.2647089 -1.7266503 -0.3197012 -0.3117662 -0.2583064 -1.6177759 32 O -1.3462157 0.3486990 -0.1242946 0.2857197 -2.3204664 0.3318715 -0.1112363 0.3269718 -2.0118987 33 O -1.0627356 0.1251932 0.0000000 0.1075823 -1.7772250 0.0000000 -0.0000000 0.0000000 -2.6550123 34 O -1.0627356 -0.1251932 0.0000000 -0.1075823 -1.7772250 0.0000000 -0.0000000 0.0000000 -2.6550123 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 8 ] 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: 0.54, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 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 1.936 ( 0.000 0.000 -0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 -0.000) 0.000 3.519 ( 0.000 0.000 -0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 -0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 -0.000) 0.000 4.289 ( 0.000 0.000 -0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 -0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 -0.000) 0.000 4.742 ( 0.000 0.000 -0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.656 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 -0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 6.006 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 -0.000) 0.000 6.587 ( 0.000 0.000 -0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 -0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 -0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 -0.000) 0.000 8.154 ( 0.000 0.000 -0.000) 0.000 8.211 ( 0.000 0.000 -0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 8.884 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 9.460 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 -0.000) 0.000 16.396 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 0.000) 0.000 17.035 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 -0.000) 0.000 17.532 ( 0.000 0.000 0.000) 0.000 17.578 ( 0.000 0.000 -0.000) 0.000 17.630 ( 0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 -0.000) 0.000 17.919 ( 0.000 0.000 0.000) 0.000 18.046 ( 0.000 0.000 0.000) 0.000 21.166 ( 0.000 0.000 0.000) 0.000 21.169 ( 0.000 0.000 -0.000) 0.000 21.741 ( 0.000 0.000 0.000) 0.000 21.749 ( 0.000 0.000 -0.000) 0.000 22.034 ( 0.000 0.000 0.000) 0.000 22.178 ( 0.000 0.000 0.000) 0.000 26.209 ( 0.000 0.000 0.000) 0.000 26.242 ( 0.000 0.000 0.000) 0.000 26.515 ( 0.000 0.000 -0.000) 0.000 26.612 ( 0.000 0.000 0.000) 0.000 26.810 ( 0.000 0.000 0.000) 0.000 26.864 ( 0.000 0.000 0.000) 0.000 33.872 ( 0.000 0.000 0.000) 0.000 34.157 ( 0.000 0.000 0.000) 0.000 35.305 ( 0.000 0.000 0.000) 0.000 36.050 ( 0.000 0.000 -0.000) 0.000 36.287 ( 0.000 0.000 0.000) 0.000 36.851 ( 0.000 0.000 0.000) 0.000 37.047 ( 0.000 0.000 -0.000) 0.000 37.122 ( 0.000 0.000 0.000) 0.000 37.175 ( 0.000 0.000 0.000) 0.000 37.271 ( 0.000 0.000 0.000) 0.000 37.680 ( 0.000 0.000 0.000) 0.000 37.961 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 28.118 0.000 0.000) 28.118 0.544 ( 29.696 0.000 0.000) 29.696 1.112 ( 58.726 0.000 0.000) 58.726 1.851 ( -16.214 0.000 0.000) 16.214 1.955 ( -14.448 0.000 0.000) 14.448 2.297 ( -5.438 0.000 0.000) 5.438 2.379 ( 4.278 0.000 0.000) 4.278 2.507 ( -6.379 0.000 0.000) 6.379 2.588 ( -1.975 0.000 0.000) 1.975 2.940 ( 11.441 0.000 0.000) 11.441 3.106 ( 9.254 0.000 0.000) 9.254 3.235 ( 2.068 0.000 0.000) 2.068 3.403 ( 4.426 0.000 0.000) 4.426 3.502 ( -3.474 0.000 0.000) 3.474 3.614 ( -3.944 0.000 0.000) 3.944 3.808 ( -20.327 0.000 0.000) 20.327 3.829 ( 2.073 0.000 0.000) 2.073 3.927 ( -0.033 0.000 0.000) 0.033 3.991 ( -3.038 0.000 0.000) 3.038 4.091 ( -12.256 0.000 0.000) 12.256 4.215 ( 5.771 0.000 0.000) 5.771 4.224 ( 0.370 0.000 0.000) 0.370 4.392 ( -2.944 0.000 0.000) 2.944 4.439 ( 3.235 0.000 0.000) 3.235 4.560 ( 1.287 0.000 0.000) 1.287 4.588 ( 2.189 0.000 0.000) 2.189 4.626 ( 3.885 0.000 0.000) 3.885 4.724 ( -1.918 0.000 0.000) 1.918 4.742 ( 1.413 0.000 0.000) 1.413 4.804 ( 7.081 0.000 0.000) 7.081 5.066 ( -5.980 0.000 0.000) 5.980 5.214 ( -7.127 0.000 0.000) 7.127 5.288 ( 4.088 0.000 0.000) 4.088 5.341 ( 1.163 0.000 0.000) 1.163 5.457 ( 3.944 0.000 0.000) 3.944 5.663 ( -5.082 0.000 0.000) 5.082 5.732 ( 3.595 0.000 0.000) 3.595 5.827 ( -1.914 0.000 0.000) 1.914 5.830 ( 4.236 0.000 0.000) 4.236 5.913 ( 3.918 0.000 0.000) 3.918 6.051 ( 4.964 0.000 0.000) 4.964 6.551 ( -6.981 0.000 0.000) 6.981 6.589 ( 0.340 0.000 0.000) 0.340 6.608 ( -0.810 0.000 0.000) 0.810 6.643 ( -0.050 0.000 0.000) 0.050 6.733 ( -4.699 0.000 0.000) 4.699 6.934 ( 3.751 0.000 0.000) 3.751 7.048 ( -0.128 0.000 0.000) 0.128 7.157 ( 2.051 0.000 0.000) 2.051 7.298 ( 1.273 0.000 0.000) 1.273 7.349 ( 2.386 0.000 0.000) 2.386 7.597 ( -4.231 0.000 0.000) 4.231 7.740 ( -3.610 0.000 0.000) 3.610 7.795 ( -8.063 0.000 0.000) 8.063 8.076 ( 2.395 0.000 0.000) 2.395 8.134 ( 1.439 0.000 0.000) 1.439 8.235 ( 1.071 0.000 0.000) 1.071 8.246 ( 0.292 0.000 0.000) 0.292 8.436 ( -2.891 0.000 0.000) 2.891 8.611 ( -5.921 0.000 0.000) 5.921 8.852 ( 0.418 0.000 0.000) 0.418 8.883 ( 0.062 0.000 0.000) 0.062 9.003 ( 8.832 0.000 0.000) 8.832 9.172 ( 1.254 0.000 0.000) 1.254 10.106 ( 5.859 0.000 0.000) 5.859 10.576 ( -5.507 0.000 0.000) 5.507 16.329 ( 0.558 0.000 0.000) 0.558 16.387 ( -0.900 0.000 0.000) 0.900 17.028 ( 0.003 0.000 0.000) 0.003 17.034 ( -0.139 0.000 0.000) 0.139 17.248 ( 0.499 0.000 0.000) 0.499 17.309 ( -1.329 0.000 0.000) 1.329 17.537 ( 0.572 0.000 0.000) 0.572 17.575 ( -0.379 0.000 0.000) 0.379 17.671 ( 4.093 0.000 0.000) 4.093 17.903 ( -1.855 0.000 0.000) 1.855 17.903 ( 1.208 0.000 0.000) 1.208 18.041 ( -2.463 0.000 0.000) 2.463 21.166 ( 0.040 0.000 0.000) 0.040 21.169 ( -0.038 0.000 0.000) 0.038 21.742 ( 0.108 0.000 0.000) 0.108 21.748 ( -0.060 0.000 0.000) 0.060 22.143 ( 0.390 0.000 0.000) 0.390 22.174 ( -0.384 0.000 0.000) 0.384 26.213 ( 0.461 0.000 0.000) 0.461 26.240 ( -0.245 0.000 0.000) 0.245 26.523 ( 0.849 0.000 0.000) 0.849 26.601 ( -1.108 0.000 0.000) 1.108 26.816 ( 0.568 0.000 0.000) 0.568 26.859 ( -0.545 0.000 0.000) 0.545 34.181 ( 2.587 0.000 0.000) 2.587 34.385 ( -2.534 0.000 0.000) 2.534 36.046 ( 2.564 0.000 0.000) 2.564 36.260 ( -2.856 0.000 0.000) 2.856 36.877 ( 2.825 0.000 0.000) 2.825 37.050 ( 0.032 0.000 0.000) 0.032 37.122 ( -0.118 0.000 0.000) 0.118 37.159 ( -0.645 0.000 0.000) 0.645 37.172 ( -0.045 0.000 0.000) 0.045 37.235 ( -3.241 0.000 0.000) 3.241 37.719 ( 3.819 0.000 0.000) 3.819 37.940 ( -2.270 0.000 0.000) 2.270 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 26.219 0.000 0.000) 26.219 1.073 ( 28.045 0.000 0.000) 28.045 1.472 ( -22.261 0.000 0.000) 22.261 1.573 ( -25.162 0.000 0.000) 25.162 2.090 ( 40.040 0.000 0.000) 40.040 2.270 ( 0.777 0.000 0.000) 0.777 2.431 ( 5.413 0.000 0.000) 5.413 2.477 ( 4.850 0.000 0.000) 4.850 2.541 ( -3.367 0.000 0.000) 3.367 2.992 ( -31.497 0.000 0.000) 31.497 3.132 ( 8.872 0.000 0.000) 8.872 3.242 ( -3.325 0.000 0.000) 3.325 3.350 ( 0.339 0.000 0.000) 0.339 3.409 ( -3.738 0.000 0.000) 3.738 3.658 ( 8.588 0.000 0.000) 8.588 3.695 ( 5.610 0.000 0.000) 5.610 3.823 ( -3.754 0.000 0.000) 3.754 3.867 ( -11.081 0.000 0.000) 11.081 3.932 ( -0.653 0.000 0.000) 0.653 3.936 ( -1.667 0.000 0.000) 1.667 4.243 ( 2.036 0.000 0.000) 2.036 4.293 ( -1.582 0.000 0.000) 1.582 4.364 ( 3.772 0.000 0.000) 3.772 4.440 ( -2.622 0.000 0.000) 2.622 4.585 ( 1.615 0.000 0.000) 1.615 4.610 ( -0.058 0.000 0.000) 0.058 4.653 ( 0.331 0.000 0.000) 0.331 4.683 ( -2.341 0.000 0.000) 2.341 4.823 ( 7.037 0.000 0.000) 7.037 4.948 ( 7.637 0.000 0.000) 7.637 4.953 ( -6.589 0.000 0.000) 6.589 5.080 ( -7.280 0.000 0.000) 7.280 5.360 ( 2.834 0.000 0.000) 2.834 5.369 ( 1.448 0.000 0.000) 1.448 5.508 ( 2.208 0.000 0.000) 2.208 5.569 ( -4.754 0.000 0.000) 4.754 5.760 ( 0.911 0.000 0.000) 0.911 5.786 ( -2.046 0.000 0.000) 2.046 5.934 ( 4.727 0.000 0.000) 4.727 5.967 ( 1.057 0.000 0.000) 1.057 6.188 ( 9.871 0.000 0.000) 9.871 6.383 ( -10.711 0.000 0.000) 10.711 6.597 ( -0.145 0.000 0.000) 0.145 6.598 ( 0.265 0.000 0.000) 0.265 6.641 ( -0.087 0.000 0.000) 0.087 6.658 ( -2.734 0.000 0.000) 2.734 6.994 ( 2.717 0.000 0.000) 2.717 7.033 ( -1.531 0.000 0.000) 1.531 7.224 ( 5.094 0.000 0.000) 5.094 7.302 ( -1.917 0.000 0.000) 1.917 7.405 ( 3.517 0.000 0.000) 3.517 7.489 ( -6.334 0.000 0.000) 6.334 7.676 ( -2.535 0.000 0.000) 2.535 7.677 ( -3.263 0.000 0.000) 3.263 8.131 ( 3.579 0.000 0.000) 3.579 8.188 ( 1.044 0.000 0.000) 1.044 8.213 ( -0.782 0.000 0.000) 0.782 8.245 ( -0.518 0.000 0.000) 0.518 8.424 ( 1.526 0.000 0.000) 1.526 8.494 ( -5.961 0.000 0.000) 5.961 8.863 ( 0.796 0.000 0.000) 0.796 8.877 ( -0.641 0.000 0.000) 0.641 9.136 ( 4.996 0.000 0.000) 4.996 9.183 ( -0.552 0.000 0.000) 0.552 10.254 ( 9.858 0.000 0.000) 9.858 10.436 ( -9.456 0.000 0.000) 9.456 16.344 ( 1.085 0.000 0.000) 1.085 16.367 ( -1.296 0.000 0.000) 1.296 17.029 ( 0.089 0.000 0.000) 0.089 17.031 ( -0.168 0.000 0.000) 0.168 17.261 ( 0.981 0.000 0.000) 0.981 17.283 ( -1.391 0.000 0.000) 1.391 17.550 ( 0.821 0.000 0.000) 0.821 17.565 ( -0.696 0.000 0.000) 0.696 17.761 ( 5.364 0.000 0.000) 5.364 17.850 ( -4.014 0.000 0.000) 4.014 17.935 ( 2.348 0.000 0.000) 2.348 17.987 ( -3.206 0.000 0.000) 3.206 21.167 ( 0.064 0.000 0.000) 0.064 21.168 ( -0.063 0.000 0.000) 0.063 21.744 ( 0.151 0.000 0.000) 0.151 21.747 ( -0.121 0.000 0.000) 0.121 22.153 ( 0.628 0.000 0.000) 0.628 22.165 ( -0.624 0.000 0.000) 0.624 26.223 ( 0.614 0.000 0.000) 0.614 26.234 ( -0.481 0.000 0.000) 0.481 26.545 ( 1.511 0.000 0.000) 1.511 26.575 ( -1.666 0.000 0.000) 1.666 26.829 ( 0.890 0.000 0.000) 0.890 26.846 ( -0.879 0.000 0.000) 0.879 34.245 ( 4.155 0.000 0.000) 4.155 34.322 ( -4.122 0.000 0.000) 4.122 36.110 ( 4.245 0.000 0.000) 4.245 36.191 ( -4.417 0.000 0.000) 4.417 36.947 ( 4.617 0.000 0.000) 4.617 37.026 ( -3.248 0.000 0.000) 3.248 37.120 ( 0.404 0.000 0.000) 0.404 37.139 ( -1.331 0.000 0.000) 1.331 37.176 ( 0.363 0.000 0.000) 0.363 37.189 ( -1.342 0.000 0.000) 1.342 37.800 ( 4.748 0.000 0.000) 4.748 37.882 ( -4.000 0.000 0.000) 4.000 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.000 13.822 25.596) 29.089 0.699 ( 0.000 17.284 27.488) 32.471 1.247 ( 0.000 21.397 51.721) 55.973 1.995 ( 0.000 3.456 3.030) 4.596 2.081 ( 0.000 0.614 1.376) 1.506 2.334 ( 0.000 -3.056 2.204) 3.768 2.356 ( 0.000 4.080 3.826) 5.594 2.453 ( 0.000 6.949 1.197) 7.051 2.761 ( 0.000 4.677 12.268) 13.129 2.824 ( 0.000 3.155 1.821) 3.643 3.005 ( 0.000 3.048 1.928) 3.607 3.177 ( 0.000 -3.091 -2.150) 3.765 3.268 ( 0.000 2.514 -1.679) 3.023 3.528 ( 0.000 0.900 -1.208) 1.506 3.604 ( 0.000 -1.265 -4.386) 4.565 3.716 ( 0.000 -9.242 -0.447) 9.253 3.915 ( 0.000 6.226 -4.095) 7.452 3.983 ( 0.000 0.079 -7.974) 7.974 4.042 ( 0.000 -0.567 -2.276) 2.346 4.121 ( 0.000 -2.712 -0.416) 2.744 4.207 ( 0.000 5.477 -8.970) 10.510 4.300 ( 0.000 -3.669 1.460) 3.949 4.364 ( 0.000 4.309 -5.894) 7.301 4.429 ( 0.000 2.724 -4.761) 5.485 4.478 ( 0.000 -3.659 2.774) 4.591 4.541 ( 0.000 -1.480 -3.442) 3.747 4.562 ( 0.000 3.557 4.740) 5.926 4.689 ( 0.000 -2.496 0.738) 2.603 4.839 ( 0.000 0.282 5.585) 5.592 4.847 ( 0.000 7.194 2.092) 7.492 4.884 ( 0.000 -1.381 12.533) 12.609 5.142 ( 0.000 0.476 -1.765) 1.828 5.214 ( 0.000 -0.132 -2.551) 2.554 5.322 ( 0.000 0.722 -6.423) 6.463 5.521 ( 0.000 -1.157 11.732) 11.789 5.605 ( 0.000 -6.809 -0.545) 6.831 5.727 ( 0.000 -1.438 3.763) 4.028 5.819 ( 0.000 3.785 -2.035) 4.298 5.868 ( 0.000 9.126 -1.226) 9.208 5.977 ( 0.000 4.281 3.858) 5.763 6.227 ( 0.000 -1.569 6.791) 6.970 6.586 ( 0.000 -1.756 -2.531) 3.080 6.591 ( 0.000 2.171 -0.936) 2.364 6.638 ( 0.000 2.070 0.589) 2.152 6.738 ( 0.000 12.464 -4.807) 13.359 6.781 ( 0.000 1.784 -2.125) 2.775 6.934 ( 0.000 4.977 0.213) 4.982 7.036 ( 0.000 0.246 0.961) 0.992 7.084 ( 0.000 -1.445 1.800) 2.308 7.140 ( 0.000 -1.106 -0.254) 1.135 7.287 ( 0.000 -0.238 0.580) 0.627 7.556 ( 0.000 -0.686 -5.905) 5.945 7.809 ( 0.000 -0.492 -5.779) 5.800 7.915 ( 0.000 -0.535 -0.560) 0.775 7.949 ( 0.000 -0.329 -5.925) 5.934 8.229 ( 0.000 -0.447 5.286) 5.305 8.234 ( 0.000 1.071 2.147) 2.400 8.335 ( 0.000 1.606 0.731) 1.765 8.445 ( 0.000 -5.351 -0.578) 5.382 8.622 ( 0.000 6.849 2.000) 7.135 8.880 ( 0.000 -1.093 0.271) 1.127 8.930 ( 0.000 -0.375 8.731) 8.739 8.949 ( 0.000 2.255 4.594) 5.117 9.472 ( 0.000 -0.302 1.563) 1.592 10.013 ( 0.000 -0.395 -3.957) 3.977 10.420 ( 0.000 -23.378 4.776) 23.860 16.323 ( 0.000 0.146 0.157) 0.214 16.416 ( 0.000 0.612 1.624) 1.736 17.026 ( 0.000 0.073 -0.342) 0.350 17.095 ( 0.000 -3.274 1.344) 3.539 17.222 ( 0.000 -1.612 1.432) 2.156 17.340 ( 0.000 1.676 0.113) 1.680 17.506 ( 0.000 -2.107 -3.903) 4.436 17.542 ( 0.000 -0.560 -2.992) 3.044 17.634 ( 0.000 0.938 -1.675) 1.920 17.828 ( 0.000 -2.216 -5.245) 5.694 17.941 ( 0.000 -1.641 -2.539) 3.023 18.008 ( 0.000 -1.593 -3.086) 3.473 21.171 ( 0.000 0.729 -0.131) 0.740 21.288 ( 0.000 8.619 -3.852) 9.440 21.740 ( 0.000 -0.226 -0.102) 0.248 21.789 ( 0.000 -1.133 0.355) 1.187 22.034 ( 0.000 -0.003 -0.051) 0.052 22.170 ( 0.000 0.118 -1.058) 1.065 26.221 ( 0.000 -0.820 0.361) 0.896 26.254 ( 0.000 1.311 0.250) 1.335 26.524 ( 0.000 -0.284 0.830) 0.877 26.611 ( 0.000 -0.376 0.092) 0.387 26.819 ( 0.000 0.452 0.666) 0.805 26.876 ( 0.000 0.352 0.790) 0.865 33.886 ( 0.000 0.428 1.275) 1.345 34.149 ( 0.000 -0.626 -0.558) 0.838 35.308 ( 0.000 0.570 0.085) 0.576 36.028 ( 0.000 -9.641 2.248) 9.900 36.288 ( 0.000 8.821 -9.355) 12.858 36.790 ( 0.000 6.532 -22.430) 23.362 37.044 ( 0.000 -5.084 2.247) 5.558 37.214 ( 0.000 5.916 2.128) 6.287 37.578 ( 0.000 0.843 16.825) 16.846 37.725 ( 0.000 -12.294 16.870) 20.874 37.937 ( 0.000 3.937 0.620) 3.985 39.316 ( 0.000 -28.336 14.732) 31.936 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 16.348 12.555 21.460) 29.756 0.966 ( 23.362 9.290 21.343) 32.979 1.551 ( 31.155 15.323 33.131) 47.991 1.939 ( -10.742 4.011 6.854) 13.359 2.020 ( -7.983 1.909 4.802) 9.510 2.302 ( 0.719 -0.835 -1.179) 1.613 2.353 ( -3.293 4.265 0.119) 5.390 2.486 ( 2.264 1.720 3.001) 4.134 2.638 ( -6.014 3.252 3.660) 7.756 2.923 ( 10.078 2.326 0.488) 10.354 3.159 ( 6.503 1.974 3.208) 7.515 3.216 ( 5.451 -1.244 -0.539) 5.617 3.357 ( 6.715 -0.553 -1.570) 6.918 3.515 ( -1.194 -0.902 -1.333) 2.004 3.560 ( -2.865 0.585 -1.551) 3.310 3.744 ( -0.945 -5.910 -2.715) 6.572 3.828 ( -9.507 1.793 -1.427) 9.780 3.933 ( -6.090 -0.293 -0.592) 6.126 3.978 ( -4.361 0.569 -2.169) 4.903 4.058 ( -10.243 3.581 -3.972) 11.555 4.155 ( 2.418 -2.368 -2.781) 4.380 4.240 ( 1.180 4.195 -4.043) 5.944 4.394 ( 0.394 -2.982 -1.127) 3.212 4.432 ( -0.255 -2.535 -4.134) 4.856 4.504 ( 1.553 -3.886 -3.806) 5.657 4.549 ( 1.501 2.208 -2.388) 3.582 4.622 ( 0.014 -0.964 2.864) 3.022 4.730 ( 2.272 3.048 -0.176) 3.805 4.787 ( -0.065 3.560 5.125) 6.241 4.893 ( 2.531 -3.126 8.239) 9.169 4.953 ( 1.192 -2.442 -3.598) 4.509 5.134 ( 4.096 2.006 -0.826) 4.635 5.262 ( 5.101 -1.426 -1.436) 5.488 5.378 ( -1.875 1.658 3.011) 3.915 5.434 ( -0.803 1.392 1.010) 1.898 5.624 ( -3.098 -5.706 0.606) 6.521 5.743 ( 3.034 -0.402 -0.495) 3.100 5.873 ( 2.549 5.141 0.920) 5.812 5.895 ( 3.688 3.960 1.837) 5.714 5.982 ( 0.996 3.582 3.176) 4.890 6.184 ( -1.557 2.542 7.762) 8.315 6.531 ( -5.197 -1.387 -1.553) 5.599 6.569 ( -1.940 0.248 -0.787) 2.108 6.635 ( -0.392 2.821 1.024) 3.027 6.700 ( -1.555 3.680 0.703) 4.057 6.791 ( -1.730 5.325 1.771) 5.872 6.929 ( 1.533 0.778 -0.412) 1.768 7.028 ( -1.800 0.742 -2.932) 3.519 7.104 ( 5.164 0.040 -0.173) 5.167 7.268 ( 7.088 -1.202 -2.465) 7.600 7.302 ( 1.332 -0.204 0.540) 1.451 7.532 ( -2.595 -0.538 -4.754) 5.442 7.734 ( -6.855 -0.287 -5.093) 8.545 7.805 ( -7.535 1.135 -0.169) 7.622 8.018 ( 3.836 -1.415 -4.117) 5.803 8.186 ( -1.714 -0.261 3.087) 3.540 8.256 ( 0.202 0.493 1.382) 1.481 8.293 ( -2.084 0.145 2.264) 3.081 8.471 ( 1.406 -0.759 3.011) 3.409 8.602 ( -2.412 3.524 2.447) 4.921 8.861 ( -1.270 -0.945 0.548) 1.675 8.893 ( -0.572 1.093 1.607) 2.026 9.089 ( 9.171 0.329 8.148) 12.272 9.390 ( -5.185 0.698 10.054) 11.334 10.057 ( 4.772 -0.952 -4.694) 6.761 10.418 ( -2.266 -14.214 -4.318) 15.027 16.339 ( 1.193 -0.336 0.574) 1.366 16.410 ( -0.653 0.949 1.623) 1.991 17.025 ( -0.010 -0.072 -0.246) 0.257 17.062 ( -2.103 -1.498 2.003) 3.267 17.242 ( 1.373 -1.871 0.932) 2.501 17.327 ( -1.267 1.558 0.414) 2.050 17.503 ( -0.060 -0.862 -3.761) 3.859 17.534 ( -0.650 -0.352 -3.595) 3.671 17.666 ( 3.436 -0.149 -0.856) 3.544 17.833 ( 0.373 -2.851 -5.048) 5.809 17.888 ( -2.953 0.113 -2.652) 3.970 17.995 ( -2.144 -1.942 -2.862) 4.069 21.171 ( -0.008 0.697 -0.106) 0.705 21.241 ( -2.817 6.485 0.536) 7.091 21.739 ( -0.052 -0.524 -0.087) 0.533 21.764 ( -1.128 -0.088 1.056) 1.548 22.087 ( 3.118 -1.050 -2.368) 4.053 22.164 ( -0.551 -0.007 -1.044) 1.181 26.218 ( -0.044 -0.338 0.238) 0.416 26.247 ( -0.465 1.038 0.404) 1.207 26.526 ( 0.529 -0.405 0.742) 0.998 26.600 ( -1.123 -0.422 0.130) 1.207 26.825 ( 0.572 0.509 0.639) 0.997 26.869 ( -0.666 0.447 0.754) 1.101 34.154 ( 11.942 -5.030 -7.828) 15.139 34.177 ( 4.722 -1.015 -2.177) 5.298 35.562 ( 22.558 -9.889 -17.174) 30.027 36.046 ( 1.984 -11.033 1.197) 11.273 36.285 ( 0.211 11.231 -11.476) 16.058 36.731 ( -6.286 6.701 -22.622) 24.417 37.053 ( 0.910 -4.485 1.649) 4.864 37.200 ( -1.342 5.220 2.195) 5.820 37.602 ( 2.671 0.332 17.653) 17.857 37.751 ( 2.486 -13.383 18.302) 22.809 37.913 ( -2.602 4.682 1.360) 5.526 38.784 ( -37.501 1.212 37.451) 53.013 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 21.056 7.714 14.063) 26.470 1.366 ( 21.135 6.844 20.242) 30.055 1.593 ( -19.000 5.209 8.660) 21.521 1.752 ( -19.431 4.864 13.442) 24.123 2.181 ( 15.018 3.577 2.212) 15.596 2.280 ( 0.744 5.382 1.079) 5.540 2.423 ( 11.816 2.590 0.922) 12.131 2.549 ( -2.590 2.624 0.178) 3.691 2.584 ( 13.562 3.560 10.579) 17.565 3.080 ( -15.917 2.244 5.349) 16.942 3.129 ( 5.381 2.263 0.695) 5.879 3.282 ( -5.267 1.987 2.369) 6.107 3.344 ( -3.629 -2.339 1.862) 4.702 3.399 ( -4.504 -0.226 0.074) 4.510 3.593 ( 7.444 -1.437 -3.408) 8.313 3.683 ( 1.408 1.994 -3.123) 3.964 3.793 ( -0.299 -4.843 -1.855) 5.195 3.844 ( -4.651 -1.025 1.064) 4.880 3.889 ( -1.725 0.493 -3.179) 3.650 3.944 ( -4.255 4.848 -2.660) 6.977 4.191 ( 1.897 -4.421 -3.120) 5.734 4.295 ( 1.944 2.561 -4.003) 5.134 4.380 ( -0.734 -2.974 0.802) 3.166 4.425 ( -0.838 -0.209 -3.139) 3.255 4.497 ( -0.491 -9.501 -4.206) 10.402 4.575 ( -0.384 0.083 -2.654) 2.683 4.624 ( 1.597 3.265 -1.916) 4.109 4.693 ( -2.540 4.949 -1.190) 5.689 4.836 ( 2.309 -3.902 3.532) 5.748 4.900 ( -1.822 -3.163 0.760) 3.729 5.018 ( 7.331 1.822 4.551) 8.819 5.153 ( -5.576 1.525 5.631) 8.070 5.345 ( 3.046 -0.835 -0.320) 3.174 5.373 ( 5.398 -0.220 -1.683) 5.659 5.453 ( 0.324 1.166 -0.409) 1.277 5.525 ( -6.597 -0.831 -1.020) 6.727 5.803 ( 2.483 1.155 1.029) 2.925 5.876 ( -0.472 5.143 2.345) 5.672 5.951 ( 1.290 0.282 1.317) 1.866 6.000 ( 0.135 3.441 1.856) 3.912 6.247 ( 7.571 0.917 4.994) 9.116 6.406 ( -7.970 -0.100 2.386) 8.320 6.547 ( -0.629 -1.635 -1.193) 2.120 6.622 ( -0.613 4.522 -0.100) 4.564 6.685 ( -0.309 -0.047 3.597) 3.611 6.749 ( -1.709 4.134 4.727) 6.508 6.967 ( 1.666 0.767 -3.612) 4.051 7.007 ( -0.684 2.111 -2.969) 3.707 7.212 ( 6.286 -0.413 0.017) 6.300 7.301 ( -2.299 -0.596 0.053) 2.376 7.367 ( 3.951 -1.607 -1.856) 4.652 7.462 ( -4.549 0.146 -2.094) 5.010 7.640 ( -1.551 0.607 -3.785) 4.135 7.682 ( -5.313 0.965 -0.761) 5.453 8.083 ( 3.245 -1.948 -3.777) 5.347 8.154 ( -2.413 -0.790 -2.127) 3.312 8.259 ( 0.873 0.783 2.532) 2.791 8.276 ( -0.566 -0.029 2.159) 2.232 8.495 ( 1.445 1.087 6.092) 6.355 8.545 ( -3.111 1.942 5.848) 6.903 8.850 ( -0.083 -1.043 -1.526) 1.851 8.883 ( -0.459 1.346 0.453) 1.493 9.230 ( 5.540 -0.652 8.787) 10.408 9.322 ( -2.859 1.197 10.798) 11.234 10.178 ( 8.098 -2.766 -6.380) 10.674 10.325 ( -7.306 -6.405 -7.385) 12.204 16.357 ( 0.743 -0.660 1.093) 1.477 16.395 ( -0.747 1.507 1.953) 2.578 17.026 ( 0.142 -0.562 0.082) 0.585 17.037 ( -0.742 -0.573 0.874) 1.282 17.264 ( 1.012 -1.299 0.871) 1.863 17.302 ( -1.235 1.052 1.043) 1.929 17.509 ( 0.623 -0.221 -4.076) 4.130 17.522 ( -0.734 -0.172 -4.110) 4.178 17.742 ( 4.289 -1.428 -1.775) 4.856 17.813 ( -2.711 -1.985 -3.100) 4.571 17.881 ( 1.961 -0.970 -4.315) 4.838 17.939 ( -3.547 -1.613 -2.984) 4.908 21.171 ( -0.002 0.635 -0.063) 0.638 21.211 ( -0.682 4.220 1.514) 4.535 21.739 ( -0.007 -0.901 -0.175) 0.918 21.754 ( -0.199 0.345 0.602) 0.722 22.127 ( 1.472 -0.778 -1.771) 2.430 22.151 ( -0.917 -0.206 -1.207) 1.530 26.221 ( 0.210 -0.370 -0.254) 0.495 26.240 ( -0.266 0.994 0.424) 1.113 26.545 ( 1.415 -0.549 0.410) 1.572 26.574 ( -1.651 -0.498 0.225) 1.739 26.838 ( 0.846 0.492 0.623) 1.160 26.855 ( -0.862 0.511 0.667) 1.204 34.227 ( 3.120 -1.537 -1.231) 3.689 34.268 ( 0.252 -2.271 -3.320) 4.030 35.882 ( 8.937 -17.946 -15.686) 25.456 36.089 ( 1.869 -14.500 -0.713) 14.637 36.336 ( 6.275 13.962 -24.720) 29.076 36.578 ( -9.377 9.202 -21.517) 25.211 37.071 ( 0.777 -3.734 0.585) 3.858 37.175 ( -1.045 4.139 2.725) 5.064 37.671 ( 4.209 -1.667 16.888) 17.484 37.789 ( 0.317 -16.347 28.885) 33.192 37.854 ( -2.550 6.106 1.051) 6.700 38.317 ( -12.818 18.034 31.264) 38.301 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 12.006 21.490) 24.617 1.341 ( 0.000 14.751 23.794) 27.996 1.958 ( 0.000 -3.477 8.109) 8.823 2.085 ( 0.000 2.209 4.117) 4.672 2.262 ( 0.000 7.239 6.092) 9.462 2.424 ( 0.000 7.473 6.852) 10.138 2.533 ( 0.000 7.357 8.287) 11.081 2.671 ( 0.000 11.167 21.443) 24.176 2.939 ( 0.000 4.852 7.133) 8.627 3.045 ( 0.000 1.647 2.435) 2.939 3.066 ( 0.000 3.452 1.437) 3.739 3.113 ( 0.000 0.206 6.111) 6.115 3.258 ( 0.000 2.848 -2.002) 3.481 3.439 ( 0.000 -4.796 -3.493) 5.933 3.578 ( 0.000 2.338 -2.024) 3.092 3.630 ( 0.000 -6.419 1.205) 6.531 3.856 ( 0.000 3.138 -4.916) 5.832 3.880 ( 0.000 0.925 -4.893) 4.979 4.002 ( 0.000 3.454 -1.925) 3.954 4.040 ( 0.000 -0.793 -4.621) 4.688 4.104 ( 0.000 2.995 -7.427) 8.008 4.149 ( 0.000 -6.535 -9.437) 11.479 4.260 ( 0.000 -4.388 -3.648) 5.706 4.399 ( 0.000 1.550 -4.676) 4.926 4.478 ( 0.000 -2.279 -1.392) 2.671 4.550 ( 0.000 -1.718 7.433) 7.629 4.668 ( 0.000 2.466 3.370) 4.176 4.767 ( 0.000 2.883 5.763) 6.444 4.947 ( 0.000 0.853 3.598) 3.698 4.971 ( 0.000 1.441 6.242) 6.407 5.033 ( 0.000 -4.740 3.897) 6.136 5.118 ( 0.000 -1.522 -0.076) 1.524 5.198 ( 0.000 2.860 -1.071) 3.054 5.243 ( 0.000 -0.973 1.533) 1.815 5.587 ( 0.000 -0.302 3.185) 3.199 5.684 ( 0.000 -0.045 6.087) 6.087 5.772 ( 0.000 -0.658 1.506) 1.644 5.836 ( 0.000 1.088 -0.075) 1.090 5.922 ( 0.000 6.597 -1.254) 6.715 6.076 ( 0.000 3.314 2.395) 4.089 6.377 ( 0.000 3.728 6.504) 7.497 6.519 ( 0.000 -1.173 -1.046) 1.572 6.597 ( 0.000 3.084 -1.490) 3.425 6.659 ( 0.000 1.142 -0.237) 1.166 6.759 ( 0.000 2.745 -2.660) 3.823 6.823 ( 0.000 3.856 3.791) 5.408 6.991 ( 0.000 1.548 2.224) 2.710 7.060 ( 0.000 1.284 0.743) 1.483 7.114 ( 0.000 -2.380 3.615) 4.328 7.144 ( 0.000 0.060 2.095) 2.096 7.291 ( 0.000 -0.443 -0.374) 0.580 7.476 ( 0.000 0.651 -1.601) 1.729 7.686 ( 0.000 -0.976 -7.139) 7.205 7.803 ( 0.000 -0.294 -8.764) 8.769 7.888 ( 0.000 -1.204 -1.610) 2.010 8.267 ( 0.000 -2.465 0.998) 2.660 8.271 ( 0.000 -1.461 -0.696) 1.618 8.363 ( 0.000 -2.619 -0.694) 2.710 8.383 ( 0.000 2.333 1.314) 2.678 8.753 ( 0.000 6.675 4.160) 7.866 8.877 ( 0.000 -1.058 0.828) 1.344 9.083 ( 0.000 2.519 6.376) 6.856 9.122 ( 0.000 -0.240 11.621) 11.623 9.511 ( 0.000 -0.504 3.107) 3.148 9.908 ( 0.000 -0.491 -6.728) 6.746 10.201 ( 0.000 -15.148 -6.124) 16.339 16.329 ( 0.000 0.212 0.249) 0.328 16.457 ( 0.000 0.580 1.920) 2.006 17.015 ( 0.000 -0.706 -0.582) 0.915 17.089 ( 0.000 -2.419 1.495) 2.844 17.241 ( 0.000 -1.377 1.923) 2.365 17.322 ( 0.000 1.106 -3.880) 4.035 17.387 ( 0.000 -1.224 -6.448) 6.563 17.504 ( 0.000 -0.431 0.289) 0.519 17.589 ( 0.000 -0.611 -3.958) 4.004 17.704 ( 0.000 -2.628 -4.212) 4.965 17.859 ( 0.000 -0.891 -4.428) 4.517 17.912 ( 0.000 -2.174 -4.874) 5.337 21.177 ( 0.000 0.789 -0.055) 0.791 21.315 ( 0.000 4.910 -1.118) 5.036 21.726 ( 0.000 -1.175 -0.599) 1.319 21.789 ( 0.000 0.025 0.306) 0.307 22.032 ( 0.000 -0.004 -0.073) 0.073 22.149 ( 0.000 -0.038 -1.158) 1.159 26.216 ( 0.000 -0.679 0.049) 0.681 26.281 ( 0.000 1.684 0.831) 1.878 26.540 ( 0.000 -0.358 1.213) 1.265 26.606 ( 0.000 -0.571 -0.170) 0.595 26.841 ( 0.000 0.702 1.039) 1.254 26.899 ( 0.000 0.624 1.051) 1.222 33.922 ( 0.000 0.634 1.931) 2.032 34.122 ( 0.000 -1.218 -1.313) 1.790 35.319 ( 0.000 1.167 0.012) 1.167 35.895 ( 0.000 -16.025 -1.667) 16.112 36.217 ( 0.000 5.288 -6.069) 8.049 36.571 ( 0.000 13.472 -12.719) 18.527 37.012 ( 0.000 -4.637 0.278) 4.645 37.344 ( 0.000 8.103 3.501) 8.827 37.824 ( 0.000 -10.939 6.528) 12.739 37.832 ( 0.000 -0.389 10.696) 10.703 38.112 ( 0.000 4.703 12.569) 13.420 39.272 ( 0.000 -11.674 3.528) 12.196 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 11.953 8.413 18.295) 23.417 1.452 ( 13.801 12.911 20.315) 27.747 1.952 ( -1.531 -2.420 5.468) 6.173 2.063 ( -3.583 2.566 3.143) 5.413 2.317 ( 1.533 2.159 2.033) 3.339 2.368 ( -1.283 8.900 11.241) 14.395 2.511 ( -1.729 9.257 4.918) 10.624 2.726 ( 4.953 8.740 20.174) 22.537 2.804 ( -10.143 7.591 10.786) 16.638 2.997 ( 5.268 3.867 4.805) 8.111 3.137 ( 4.932 -2.374 -2.192) 5.896 3.265 ( 4.222 0.820 1.108) 4.441 3.337 ( 6.302 0.520 -1.439) 6.485 3.451 ( 2.761 -2.201 -0.110) 3.533 3.580 ( 2.124 1.307 0.382) 2.523 3.671 ( 2.353 -2.501 -0.073) 3.434 3.775 ( -4.324 2.615 -3.634) 6.224 3.878 ( -4.631 0.881 -4.105) 6.250 3.967 ( -2.655 3.132 -4.644) 6.199 4.033 ( -2.773 0.666 -1.787) 3.366 4.083 ( -3.679 -3.645 -0.361) 5.192 4.146 ( 2.230 0.441 -8.413) 8.715 4.270 ( 0.265 -4.191 -4.125) 5.887 4.376 ( -3.814 -0.442 0.068) 3.840 4.391 ( -3.190 -2.943 -1.818) 4.706 4.546 ( 0.467 1.850 -1.884) 2.681 4.685 ( -1.221 2.708 0.993) 3.132 4.771 ( -4.967 -2.723 3.193) 6.502 4.885 ( -1.849 -0.797 1.086) 2.287 4.920 ( 2.628 1.717 3.430) 4.649 5.052 ( -1.139 -2.782 9.199) 9.678 5.180 ( 7.256 1.587 2.290) 7.773 5.251 ( 5.303 -1.121 2.771) 6.087 5.374 ( 7.703 1.289 -3.242) 8.456 5.535 ( -5.623 2.077 5.273) 7.984 5.633 ( -5.407 -2.495 5.426) 8.056 5.739 ( 2.095 0.940 -0.735) 2.412 5.890 ( -0.401 4.414 -3.803) 5.840 5.965 ( 5.609 0.097 1.773) 5.884 6.069 ( -0.731 3.889 1.962) 4.417 6.367 ( -1.272 4.977 7.506) 9.095 6.489 ( -2.138 -1.237 -0.980) 2.657 6.567 ( -2.417 0.365 0.118) 2.447 6.671 ( 1.417 4.086 -0.734) 4.387 6.766 ( -0.525 0.668 2.571) 2.708 6.837 ( 1.825 3.586 -0.448) 4.049 6.965 ( -2.527 1.480 2.945) 4.154 7.026 ( -2.122 2.110 1.445) 3.323 7.137 ( 4.109 -0.633 3.168) 5.227 7.228 ( 5.221 -1.796 -0.010) 5.521 7.307 ( 1.403 -0.292 -0.056) 1.434 7.470 ( -0.542 0.461 -1.089) 1.301 7.631 ( -5.285 -0.124 -5.911) 7.929 7.744 ( -4.909 -0.701 -6.413) 8.107 7.930 ( 3.182 -0.899 -3.501) 4.816 8.181 ( -5.416 -2.005 -1.745) 6.033 8.289 ( 0.218 0.032 0.839) 0.868 8.330 ( -0.726 0.031 2.265) 2.378 8.491 ( 6.817 -1.663 0.695) 7.051 8.744 ( -1.237 4.596 6.278) 7.878 8.854 ( -1.895 -0.161 0.197) 1.912 8.994 ( -4.379 3.167 6.442) 8.408 9.252 ( 8.177 -0.899 8.854) 12.086 9.511 ( -0.236 -0.356 4.551) 4.571 9.927 ( 2.156 -1.395 -7.662) 8.081 10.164 ( -3.784 -12.783 -8.004) 15.549 16.344 ( 1.445 -0.183 0.405) 1.512 16.452 ( -0.548 0.736 1.699) 1.932 17.015 ( 0.045 -0.914 -0.417) 1.006 17.074 ( -1.373 -1.807 1.665) 2.815 17.250 ( 0.852 -1.225 1.169) 1.895 17.311 ( -0.993 0.671 -3.706) 3.895 17.396 ( 0.699 -0.831 -6.186) 6.281 17.488 ( -1.212 0.252 -0.477) 1.327 17.616 ( 2.187 -1.538 -4.062) 4.863 17.711 ( 0.831 -2.874 -3.806) 4.841 17.815 ( -3.047 -0.238 -4.329) 5.299 17.913 ( -0.878 -2.130 -3.709) 4.367 21.177 ( 0.001 0.783 -0.047) 0.785 21.301 ( -1.179 4.835 -0.123) 4.979 21.724 ( -0.248 -1.339 -0.519) 1.457 21.780 ( -0.671 0.317 0.623) 0.969 22.055 ( 2.014 -0.294 -0.792) 2.184 22.142 ( -0.696 -0.090 -1.183) 1.375 26.214 ( -0.206 -0.601 -0.033) 0.636 26.275 ( -0.534 1.640 0.889) 1.940 26.540 ( 0.189 -0.407 1.165) 1.248 26.596 ( -1.011 -0.576 -0.059) 1.165 26.847 ( 0.573 0.723 1.025) 1.379 26.893 ( -0.658 0.687 1.073) 1.434 34.038 ( 9.719 -1.580 -1.459) 9.954 34.148 ( 2.634 -1.183 -1.228) 3.138 35.378 ( 6.397 -1.326 -3.014) 7.195 35.877 ( -2.034 -15.574 -3.464) 16.084 36.213 ( -0.419 6.785 -6.597) 9.473 36.536 ( -3.478 12.572 -10.743) 16.898 37.018 ( 0.555 -4.308 -0.087) 4.344 37.327 ( -1.627 7.236 3.909) 8.383 37.808 ( -0.093 -5.837 6.222) 8.532 37.868 ( 1.874 -3.829 8.952) 9.915 38.128 ( 1.856 1.986 14.602) 14.853 39.116 ( -14.486 -4.434 9.273) 17.762 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 11.602 5.076 13.642) 18.614 1.734 ( 9.443 3.325 13.635) 16.916 1.860 ( -3.942 6.982 12.885) 15.175 1.985 ( -5.787 3.209 5.821) 8.813 2.218 ( -5.529 4.188 2.647) 7.424 2.425 ( 1.153 6.105 4.092) 7.439 2.510 ( 2.603 6.014 2.947) 7.185 2.600 ( -7.212 6.592 2.455) 10.074 2.974 ( 12.908 3.806 12.236) 18.188 3.127 ( 8.861 2.764 7.455) 11.905 3.218 ( 1.369 2.829 1.213) 3.369 3.292 ( 3.645 -0.666 -0.497) 3.738 3.364 ( -2.075 -1.859 2.009) 3.434 3.521 ( -4.883 1.030 2.772) 5.709 3.580 ( -4.616 5.429 3.681) 8.021 3.656 ( 0.908 3.180 1.389) 3.587 3.736 ( -0.030 0.772 -0.158) 0.789 3.795 ( -2.072 -1.647 -5.159) 5.798 3.908 ( -2.440 1.358 0.548) 2.845 3.930 ( -3.205 3.446 1.208) 4.859 4.084 ( 2.347 -4.638 -2.687) 5.852 4.194 ( 1.394 -1.492 -5.032) 5.430 4.267 ( 0.089 -2.892 -6.845) 7.431 4.334 ( -1.999 -3.761 -3.133) 5.287 4.355 ( -1.191 -3.503 -2.284) 4.348 4.535 ( -1.096 1.690 -2.587) 3.279 4.654 ( -1.369 0.268 -0.763) 1.590 4.669 ( -3.016 2.076 -3.070) 4.778 4.884 ( 1.354 -3.461 1.414) 3.977 4.957 ( -1.480 -1.062 9.013) 9.196 5.126 ( 9.206 1.518 5.245) 10.704 5.282 ( 0.456 1.909 4.869) 5.250 5.337 ( 2.399 -1.417 1.639) 3.232 5.360 ( -3.942 1.194 0.406) 4.139 5.501 ( 0.124 0.890 3.783) 3.888 5.551 ( -2.359 0.066 2.125) 3.175 5.804 ( 3.942 1.234 -3.459) 5.387 5.864 ( -2.097 2.724 -4.000) 5.274 6.037 ( 0.835 2.396 3.870) 4.628 6.061 ( 0.779 1.651 1.119) 2.141 6.354 ( 0.605 1.682 5.004) 5.314 6.433 ( -3.320 -0.488 -1.059) 3.519 6.568 ( 1.517 0.966 5.009) 5.322 6.679 ( -0.514 5.866 0.081) 5.889 6.755 ( -0.303 -0.947 4.034) 4.155 6.850 ( -0.657 1.223 0.355) 1.433 6.937 ( -0.140 2.769 2.040) 3.442 7.005 ( -0.425 4.141 -0.493) 4.192 7.223 ( 4.418 -0.628 1.295) 4.646 7.290 ( -0.026 -1.644 0.819) 1.837 7.340 ( 3.688 -0.690 -0.586) 3.798 7.432 ( -4.652 -0.922 -0.035) 4.742 7.573 ( 1.223 1.131 -4.077) 4.404 7.646 ( -5.441 -0.013 -4.062) 6.790 7.986 ( 2.652 -1.609 -3.668) 4.804 8.097 ( -3.445 -0.501 -3.352) 4.833 8.290 ( -0.018 0.511 0.292) 0.589 8.326 ( 0.019 -0.194 3.196) 3.202 8.602 ( 5.283 -1.733 3.981) 6.838 8.694 ( -4.117 -0.952 6.037) 7.369 8.845 ( 0.876 3.882 2.762) 4.844 8.929 ( -2.628 3.669 2.300) 5.065 9.377 ( 4.719 -2.090 7.974) 9.498 9.496 ( -1.272 -0.059 6.736) 6.856 9.985 ( 3.935 -4.483 -10.061) 11.697 10.080 ( -4.791 -7.746 -10.137) 13.628 16.369 ( 0.915 -0.728 1.009) 1.544 16.441 ( -0.492 1.071 1.227) 1.701 17.018 ( 0.177 -1.613 0.080) 1.625 17.050 ( -0.926 -0.580 1.320) 1.713 17.269 ( 1.143 -0.727 -0.058) 1.356 17.291 ( -1.151 -0.019 -2.825) 3.051 17.406 ( 0.321 -0.513 -6.166) 6.196 17.471 ( -0.500 0.955 -0.762) 1.320 17.645 ( 0.719 -2.861 -5.457) 6.204 17.723 ( 0.032 -2.027 -4.670) 5.091 17.794 ( 0.957 -1.223 -2.749) 3.158 17.879 ( -2.215 -1.340 -2.016) 3.281 21.177 ( 0.002 0.774 -0.035) 0.775 21.283 ( -0.575 4.603 0.962) 4.738 21.720 ( -0.132 -1.533 -0.443) 1.601 21.771 ( -0.227 0.552 0.702) 0.921 22.091 ( 1.734 -0.487 -1.235) 2.184 22.124 ( -1.174 -0.170 -1.283) 1.747 26.211 ( -0.094 -0.559 -0.211) 0.605 26.267 ( -0.261 1.559 0.848) 1.794 26.550 ( 0.933 -0.529 0.787) 1.331 26.573 ( -1.348 -0.568 0.286) 1.491 26.860 ( 0.743 0.682 1.021) 1.436 26.879 ( -0.779 0.810 1.067) 1.550 34.163 ( 3.012 -2.801 -2.230) 4.679 34.206 ( 2.744 -1.291 -1.693) 3.473 35.521 ( 7.169 -8.096 -8.113) 13.519 35.822 ( -3.421 -12.901 -7.726) 15.422 36.204 ( -0.404 10.281 -8.116) 13.105 36.473 ( -2.437 10.286 -6.109) 12.209 37.028 ( 0.375 -3.803 -0.718) 3.888 37.299 ( -0.988 6.005 4.535) 7.590 37.817 ( 0.667 -6.320 3.149) 7.092 37.885 ( 0.134 0.080 8.899) 8.900 38.174 ( 2.351 -5.351 18.048) 18.971 38.875 ( -8.762 7.196 15.399) 19.123 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.000 6.163 10.121) 11.850 1.799 ( 0.000 7.739 8.551) 11.533 2.038 ( 0.000 -3.696 12.446) 12.983 2.251 ( 0.000 5.056 11.408) 12.478 2.333 ( 0.000 7.137 -1.337) 7.261 2.518 ( 0.000 1.743 0.875) 1.950 2.766 ( 0.000 5.283 7.353) 9.055 2.853 ( 0.000 -1.456 -7.185) 7.331 2.911 ( 0.000 -3.826 -7.157) 8.115 3.109 ( 0.000 2.658 4.459) 5.192 3.168 ( 0.000 -0.581 -4.721) 4.757 3.303 ( 0.000 1.670 -0.568) 1.764 3.359 ( 0.000 2.985 6.167) 6.852 3.484 ( 0.000 6.552 11.279) 13.044 3.585 ( 0.000 1.496 4.242) 4.498 3.649 ( 0.000 -1.924 4.364) 4.769 3.762 ( 0.000 -3.952 -6.195) 7.349 3.891 ( 0.000 -2.871 6.341) 6.961 3.932 ( 0.000 -2.418 -6.002) 6.471 3.990 ( 0.000 4.446 -2.423) 5.063 4.038 ( 0.000 3.660 -0.888) 3.766 4.058 ( 0.000 5.243 2.492) 5.805 4.210 ( 0.000 1.696 3.878) 4.233 4.315 ( 0.000 2.959 -6.396) 7.047 4.380 ( 0.000 -2.464 -4.934) 5.515 4.655 ( 0.000 -5.738 5.289) 7.803 4.738 ( 0.000 2.538 0.598) 2.608 4.873 ( 0.000 -3.287 -3.759) 4.993 4.891 ( 0.000 2.204 3.564) 4.190 5.011 ( 0.000 -1.939 -0.493) 2.001 5.116 ( 0.000 3.795 4.397) 5.809 5.137 ( 0.000 -1.379 -1.485) 2.027 5.238 ( 0.000 2.456 4.725) 5.325 5.302 ( 0.000 -4.274 5.290) 6.800 5.643 ( 0.000 -4.949 -7.033) 8.600 5.658 ( 0.000 0.209 2.535) 2.544 5.763 ( 0.000 1.880 -2.433) 3.074 5.899 ( 0.000 1.321 6.080) 6.222 5.982 ( 0.000 2.911 2.080) 3.578 6.146 ( 0.000 4.000 1.017) 4.127 6.442 ( 0.000 0.258 -0.948) 0.983 6.558 ( 0.000 0.379 2.476) 2.505 6.599 ( 0.000 2.077 -1.266) 2.433 6.666 ( 0.000 -0.699 1.425) 1.588 6.748 ( 0.000 2.267 -1.381) 2.655 6.934 ( 0.000 2.672 4.415) 5.161 7.064 ( 0.000 1.789 4.215) 4.579 7.084 ( 0.000 1.036 0.378) 1.103 7.157 ( 0.000 -1.199 2.967) 3.200 7.231 ( 0.000 2.137 5.668) 6.058 7.257 ( 0.000 -1.214 -1.677) 2.070 7.512 ( 0.000 -3.731 -8.093) 8.912 7.521 ( 0.000 2.769 3.527) 4.484 7.655 ( 0.000 0.943 -8.361) 8.413 7.827 ( 0.000 -2.070 -3.049) 3.686 8.167 ( 0.000 -4.625 -3.722) 5.937 8.240 ( 0.000 -1.641 -0.892) 1.868 8.392 ( 0.000 1.439 1.653) 2.191 8.419 ( 0.000 0.729 0.982) 1.223 8.885 ( 0.000 -0.363 0.609) 0.709 8.897 ( 0.000 4.877 4.198) 6.435 9.203 ( 0.000 1.203 4.241) 4.408 9.327 ( 0.000 1.582 10.165) 10.287 9.569 ( 0.000 -0.799 3.800) 3.883 9.776 ( 0.000 0.110 -6.883) 6.884 9.908 ( 0.000 -11.139 -10.025) 14.986 16.335 ( 0.000 0.183 0.215) 0.283 16.491 ( 0.000 0.201 1.206) 1.223 16.988 ( 0.000 -1.611 -0.881) 1.837 17.102 ( 0.000 -1.185 1.880) 2.222 17.207 ( 0.000 -0.337 -3.832) 3.847 17.276 ( 0.000 0.146 -4.464) 4.466 17.306 ( 0.000 0.170 1.507) 1.516 17.496 ( 0.000 -0.736 -4.199) 4.263 17.526 ( 0.000 -0.351 1.798) 1.832 17.628 ( 0.000 -1.816 -2.027) 2.722 17.784 ( 0.000 -0.246 -2.739) 2.750 17.804 ( 0.000 -1.466 -4.290) 4.533 21.184 ( 0.000 0.500 -0.004) 0.500 21.345 ( 0.000 2.793 -0.211) 2.801 21.700 ( 0.000 -1.214 -0.647) 1.375 21.797 ( 0.000 0.291 0.272) 0.399 22.031 ( 0.000 -0.003 -0.052) 0.052 22.131 ( 0.000 -0.020 -0.695) 0.696 26.210 ( 0.000 -0.441 -0.023) 0.442 26.313 ( 0.000 1.254 0.750) 1.461 26.559 ( 0.000 -0.321 1.212) 1.254 26.593 ( 0.000 -0.383 -0.620) 0.728 26.866 ( 0.000 0.535 0.793) 0.956 26.922 ( 0.000 0.453 0.699) 0.833 33.966 ( 0.000 0.780 2.045) 2.189 34.078 ( 0.000 -1.425 -1.909) 2.382 35.331 ( 0.000 1.283 -0.224) 1.303 35.702 ( 0.000 -9.866 -2.758) 10.245 36.180 ( 0.000 2.973 -2.890) 4.146 36.551 ( 0.000 8.561 -4.019) 9.457 36.971 ( 0.000 -2.757 -0.255) 2.768 37.492 ( 0.000 8.363 2.709) 8.791 37.792 ( 0.000 -9.120 2.205) 9.383 37.966 ( 0.000 -0.801 5.047) 5.110 38.378 ( 0.000 2.457 10.535) 10.817 39.207 ( 0.000 -5.117 -0.691) 5.164 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 4.423 2.835 7.105) 8.836 1.861 ( 6.275 7.731 5.761) 11.504 2.030 ( 0.072 -3.535 12.928) 13.403 2.212 ( -2.498 7.588 6.887) 10.547 2.395 ( 3.190 4.636 3.611) 6.686 2.514 ( 0.014 2.914 1.971) 3.518 2.691 ( -5.234 4.534 6.704) 9.638 2.867 ( -0.605 -1.773 -6.705) 6.961 2.960 ( 1.171 3.286 2.520) 4.303 3.044 ( 0.856 -1.761 -1.232) 2.314 3.217 ( 1.023 0.333 -1.990) 2.263 3.250 ( -3.723 -1.177 -2.256) 4.509 3.374 ( 4.647 1.760 -0.619) 5.008 3.557 ( -0.138 5.155 8.422) 9.876 3.620 ( 4.730 1.224 2.289) 5.396 3.686 ( 1.486 -1.380 3.949) 4.439 3.745 ( 3.420 -1.707 -1.104) 3.978 3.862 ( -3.980 -0.838 -1.336) 4.282 3.919 ( -1.379 2.251 1.342) 2.962 3.981 ( -1.468 0.154 -0.794) 1.676 4.034 ( 3.896 1.214 0.875) 4.174 4.122 ( 3.373 5.132 -0.316) 6.149 4.228 ( -0.806 0.814 4.226) 4.378 4.274 ( -0.648 1.959 -4.873) 5.291 4.423 ( 2.116 -1.199 -1.911) 3.093 4.588 ( -5.183 -1.172 6.216) 8.178 4.711 ( -6.115 -0.119 -0.608) 6.146 4.743 ( -8.053 -0.849 -0.462) 8.111 4.878 ( -3.232 0.488 -0.719) 3.347 5.010 ( 6.423 -0.173 3.361) 7.251 5.173 ( -1.428 0.209 1.338) 1.968 5.241 ( 4.994 -0.715 -2.419) 5.595 5.244 ( 7.446 -0.449 4.393) 8.657 5.350 ( 3.473 -3.098 2.678) 5.370 5.626 ( -3.467 1.248 1.113) 3.849 5.663 ( 1.018 -2.355 -2.758) 3.767 5.747 ( -1.599 0.736 2.348) 2.934 5.857 ( -3.584 2.218 -1.388) 4.437 5.999 ( 2.470 0.848 2.491) 3.609 6.143 ( -0.165 4.046 1.371) 4.275 6.429 ( -2.915 -2.080 -3.260) 4.842 6.521 ( -4.010 2.791 2.956) 5.710 6.598 ( 3.528 0.411 2.757) 4.496 6.705 ( 2.598 2.474 0.426) 3.613 6.777 ( 2.049 1.128 -0.907) 2.509 6.907 ( -2.427 2.724 3.240) 4.879 7.041 ( -1.598 0.243 3.773) 4.105 7.085 ( -0.859 1.507 2.081) 2.710 7.189 ( 2.906 0.420 1.942) 3.520 7.249 ( 1.864 0.375 3.301) 3.809 7.289 ( 3.138 -1.116 -0.659) 3.395 7.476 ( -3.231 -1.063 -3.529) 4.902 7.528 ( -0.381 -0.417 -1.701) 1.793 7.622 ( -2.051 1.205 -3.960) 4.619 7.865 ( 3.340 -0.886 -3.170) 4.689 8.112 ( -4.221 -1.799 -2.866) 5.410 8.264 ( 1.051 -1.982 -1.787) 2.868 8.380 ( -0.347 0.756 2.128) 2.285 8.480 ( 5.194 -1.141 0.325) 5.328 8.850 ( -3.538 -0.473 1.078) 3.728 8.911 ( 1.628 4.574 4.461) 6.593 9.153 ( -4.237 3.172 5.920) 7.941 9.381 ( 4.495 -0.624 6.705) 8.097 9.573 ( 0.149 -0.984 3.164) 3.317 9.773 ( -0.488 -0.971 -7.151) 7.233 9.877 ( -2.775 -9.249 -9.768) 13.735 16.350 ( 1.485 0.021 0.300) 1.515 16.482 ( -0.912 0.244 1.001) 1.376 16.989 ( 0.119 -1.731 -0.810) 1.914 17.092 ( -1.044 -0.928 1.722) 2.217 17.202 ( -0.439 -0.448 -3.845) 3.896 17.274 ( -0.034 0.869 -3.193) 3.309 17.316 ( 0.706 -0.501 0.241) 0.899 17.485 ( -0.725 0.182 -2.063) 2.194 17.533 ( 0.342 -1.151 -0.997) 1.561 17.626 ( -0.395 -1.953 -3.020) 3.618 17.757 ( -1.041 -0.225 -1.576) 1.902 17.827 ( 1.003 -1.283 -3.262) 3.646 21.184 ( 0.007 0.499 -0.002) 0.499 21.341 ( -0.302 2.854 0.038) 2.870 21.698 ( -0.183 -1.254 -0.564) 1.387 21.793 ( -0.349 0.348 0.367) 0.615 22.044 ( 1.306 -0.079 -0.270) 1.336 22.124 ( -0.763 -0.042 -0.700) 1.036 26.207 ( -0.260 -0.412 -0.049) 0.489 26.306 ( -0.575 1.218 0.750) 1.542 26.558 ( -0.052 -0.327 1.106) 1.154 26.586 ( -0.699 -0.365 -0.441) 0.904 26.872 ( 0.573 0.540 0.790) 1.116 26.916 ( -0.574 0.490 0.726) 1.047 34.026 ( 5.462 -0.254 0.597) 5.501 34.108 ( 3.081 -1.213 -1.522) 3.644 35.341 ( 1.209 0.100 -1.007) 1.576 35.676 ( -2.645 -8.586 -3.204) 9.539 36.182 ( 0.177 3.581 -2.991) 4.669 36.528 ( -2.180 7.600 -3.328) 8.578 36.974 ( 0.246 -2.671 -0.453) 2.721 37.473 ( -1.793 7.408 3.064) 8.215 37.787 ( -0.361 -7.890 1.792) 8.098 37.994 ( 2.536 -0.338 5.237) 5.829 38.373 ( -0.498 0.434 9.903) 9.925 39.163 ( -4.161 -2.470 1.467) 5.057 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 2.009 -0.807 2.872) 3.597 1.936 ( 0.930 0.182 2.921) 3.071 2.085 ( 3.706 0.757 9.177) 9.926 2.197 ( 2.205 9.505 9.508) 13.624 2.389 ( -3.446 7.717 7.243) 11.131 2.497 ( -1.339 1.840 0.914) 2.452 2.658 ( 1.448 5.293 7.062) 8.944 2.788 ( -5.703 6.638 6.050) 10.639 2.970 ( 2.611 -2.788 -1.341) 4.048 3.126 ( -1.679 -2.774 -4.592) 5.622 3.202 ( 5.964 -1.765 -4.182) 7.495 3.272 ( 0.910 -2.913 -3.954) 4.995 3.437 ( 1.743 -1.041 -1.595) 2.582 3.529 ( -1.649 0.830 -4.588) 4.946 3.630 ( -1.509 4.175 0.878) 4.525 3.718 ( -2.850 2.129 -1.546) 3.879 3.783 ( 4.930 1.400 5.474) 7.499 3.841 ( 1.002 0.512 0.439) 1.208 3.906 ( -2.674 -0.235 2.944) 3.984 4.044 ( 8.060 1.636 2.573) 8.617 4.069 ( -0.879 4.167 0.078) 4.259 4.150 ( 0.560 -1.076 6.339) 6.454 4.208 ( 1.009 0.983 -0.617) 1.538 4.276 ( -2.338 2.897 1.814) 4.141 4.408 ( -3.367 -0.524 10.426) 10.968 4.517 ( -2.362 2.167 0.375) 3.227 4.591 ( -2.111 -2.846 -4.675) 5.866 4.635 ( -4.173 -0.790 0.314) 4.258 4.857 ( -0.062 1.048 -2.176) 2.416 5.103 ( 0.121 -1.229 4.996) 5.146 5.205 ( 8.056 1.741 -0.030) 8.242 5.306 ( 0.914 -2.697 -1.983) 3.470 5.341 ( 1.770 -2.162 1.040) 2.981 5.408 ( 2.582 1.217 1.939) 3.450 5.530 ( -5.258 -1.594 0.778) 5.549 5.630 ( -4.005 0.052 5.745) 7.003 5.734 ( 1.036 1.718 -3.301) 3.862 5.833 ( 0.027 1.874 -3.537) 4.003 6.056 ( 2.928 -1.759 1.198) 3.620 6.142 ( -0.025 4.703 1.864) 5.058 6.360 ( -3.101 -3.200 -3.512) 5.674 6.460 ( -2.046 2.882 3.231) 4.789 6.689 ( 4.559 1.486 4.883) 6.844 6.738 ( 0.837 3.552 0.526) 3.687 6.797 ( 0.177 0.556 0.718) 0.926 6.857 ( -2.706 1.708 0.720) 3.280 7.026 ( 0.110 0.224 3.482) 3.491 7.065 ( -0.968 2.823 2.267) 3.748 7.228 ( 1.027 0.195 -0.594) 1.202 7.284 ( 1.589 -1.595 -1.010) 2.468 7.350 ( 1.987 -0.335 3.418) 3.968 7.425 ( -0.570 -0.228 -1.311) 1.448 7.493 ( -2.977 -2.666 -4.806) 6.251 7.608 ( 0.104 2.512 1.908) 3.156 7.934 ( 3.876 0.110 -1.649) 4.214 8.035 ( -4.038 0.219 -2.775) 4.905 8.271 ( -0.017 -0.945 -2.540) 2.710 8.378 ( 0.021 0.054 2.347) 2.347 8.574 ( 3.963 -3.721 -0.865) 5.504 8.776 ( -3.486 -0.645 3.715) 5.135 8.960 ( 3.312 4.064 3.265) 6.176 9.072 ( -4.178 4.914 6.715) 9.310 9.464 ( 4.004 -2.002 3.949) 5.969 9.561 ( -1.606 -2.484 1.677) 3.400 9.754 ( -1.183 -3.943 -8.462) 9.410 9.839 ( -0.922 -4.242 -8.369) 9.428 16.379 ( 1.282 -0.284 0.693) 1.485 16.462 ( -0.953 0.360 0.439) 1.109 16.992 ( 0.191 -2.086 -0.632) 2.188 17.072 ( -0.805 -0.255 1.359) 1.600 17.196 ( -0.193 -0.535 -3.753) 3.796 17.275 ( 0.109 1.260 -2.532) 2.831 17.325 ( 0.251 -0.950 -0.452) 1.082 17.477 ( -0.207 0.905 -0.912) 1.302 17.533 ( -0.171 -1.780 -3.292) 3.746 17.616 ( -0.462 -1.499 -3.821) 4.131 17.756 ( 0.473 -0.940 -0.623) 1.223 17.834 ( -0.075 -0.892 -1.499) 1.745 21.184 ( 0.005 0.499 0.001) 0.499 21.336 ( -0.179 2.939 0.415) 2.974 21.695 ( -0.110 -1.317 -0.444) 1.394 21.788 ( -0.175 0.412 0.447) 0.633 22.072 ( 1.543 -0.175 -0.531) 1.642 22.105 ( -1.248 -0.073 -0.715) 1.440 26.203 ( -0.158 -0.375 -0.090) 0.417 26.297 ( -0.348 1.148 0.706) 1.392 26.560 ( 0.337 -0.334 0.675) 0.825 26.572 ( -0.760 -0.340 0.072) 0.836 26.884 ( 0.696 0.513 0.802) 1.180 26.904 ( -0.700 0.572 0.747) 1.173 34.110 ( 2.702 -1.581 -0.986) 3.282 34.168 ( 2.489 -0.936 -1.082) 2.871 35.370 ( 1.490 -3.206 -2.993) 4.632 35.623 ( -2.310 -5.233 -3.627) 6.773 36.184 ( 0.025 4.850 -3.267) 5.848 36.491 ( -1.379 5.718 -1.976) 6.205 36.978 ( 0.162 -2.540 -0.775) 2.661 37.443 ( -1.044 6.198 3.527) 7.207 37.783 ( -0.089 -6.570 1.220) 6.683 38.036 ( 1.494 1.294 5.671) 6.005 38.364 ( -0.365 -3.754 8.595) 9.386 39.092 ( -2.547 2.056 4.923) 5.912 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 -0.000 0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 -0.000 -0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 -0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 -0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 -0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.749 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 -0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 0.000) 0.000 8.888 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 9.250 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.688 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 -0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.503 ( 0.000 0.000 0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 17.117 ( 0.000 0.000 0.000) 0.000 17.165 ( 0.000 0.000 0.000) 0.000 17.237 ( 0.000 0.000 0.000) 0.000 17.326 ( 0.000 0.000 0.000) 0.000 17.450 ( 0.000 0.000 0.000) 0.000 17.544 ( 0.000 0.000 0.000) 0.000 17.597 ( 0.000 0.000 0.000) 0.000 17.751 ( 0.000 0.000 0.000) 0.000 17.758 ( 0.000 0.000 0.000) 0.000 21.187 ( 0.000 0.000 0.000) 0.000 21.359 ( 0.000 0.000 0.000) 0.000 21.686 ( 0.000 0.000 0.000) 0.000 21.801 ( 0.000 0.000 0.000) 0.000 22.031 ( 0.000 0.000 0.000) 0.000 22.124 ( 0.000 0.000 0.000) 0.000 26.207 ( 0.000 0.000 0.000) 0.000 26.327 ( 0.000 0.000 0.000) 0.000 26.575 ( 0.000 0.000 -0.000) 0.000 26.578 ( 0.000 0.000 0.000) 0.000 26.877 ( 0.000 0.000 0.000) 0.000 26.931 ( 0.000 0.000 0.000) 0.000 34.002 ( 0.000 0.000 0.000) 0.000 34.039 ( 0.000 0.000 0.000) 0.000 35.335 ( 0.000 0.000 0.000) 0.000 35.623 ( 0.000 0.000 0.000) 0.000 36.170 ( 0.000 0.000 0.000) 0.000 36.564 ( 0.000 0.000 0.000) 0.000 36.953 ( 0.000 0.000 0.000) 0.000 37.578 ( 0.000 -0.000 0.000) 0.000 37.748 ( 0.000 0.000 0.000) 0.000 38.007 ( 0.000 0.000 0.000) 0.000 38.496 ( 0.000 0.000 0.000) 0.000 39.166 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 22 (14/63) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.867 0.000 0.000) 0.867 1.907 ( 3.429 0.000 0.000) 3.429 2.175 ( -1.622 0.000 0.000) 1.622 2.381 ( -1.011 0.000 0.000) 1.011 2.487 ( -1.516 0.000 0.000) 1.516 2.615 ( 2.094 0.000 0.000) 2.094 2.662 ( 1.596 0.000 0.000) 1.596 2.766 ( 8.261 0.000 0.000) 8.261 2.984 ( 0.226 0.000 0.000) 0.226 3.035 ( 0.120 0.000 0.000) 0.120 3.186 ( -1.442 0.000 0.000) 1.442 3.222 ( -6.432 0.000 0.000) 6.432 3.389 ( 0.265 0.000 0.000) 0.265 3.520 ( -4.956 0.000 0.000) 4.956 3.664 ( 3.655 0.000 0.000) 3.655 3.731 ( 3.782 0.000 0.000) 3.782 3.747 ( 2.471 0.000 0.000) 2.471 3.870 ( -1.027 0.000 0.000) 1.027 3.897 ( -0.309 0.000 0.000) 0.309 3.979 ( -1.652 0.000 0.000) 1.652 4.068 ( 3.158 0.000 0.000) 3.158 4.188 ( 2.128 0.000 0.000) 2.128 4.236 ( -1.064 0.000 0.000) 1.064 4.329 ( 2.644 0.000 0.000) 2.644 4.525 ( 2.446 0.000 0.000) 2.446 4.576 ( -4.301 0.000 0.000) 4.301 4.714 ( 0.882 0.000 0.000) 0.882 4.738 ( -6.412 0.000 0.000) 6.412 4.883 ( -8.274 0.000 0.000) 8.274 5.022 ( 2.626 0.000 0.000) 2.626 5.061 ( 4.904 0.000 0.000) 4.904 5.266 ( 2.069 -0.000 0.000) 2.069 5.329 ( 3.580 0.000 0.000) 3.580 5.338 ( 1.044 0.000 -0.000) 1.044 5.582 ( 6.043 0.000 0.000) 6.043 5.650 ( -3.150 0.000 0.000) 3.150 5.762 ( 1.429 0.000 0.000) 1.429 5.889 ( -8.882 0.000 0.000) 8.882 6.036 ( 1.179 0.000 0.000) 1.179 6.184 ( 0.397 0.000 0.000) 0.397 6.367 ( -4.331 0.000 0.000) 4.331 6.557 ( -2.999 0.000 0.000) 2.999 6.634 ( 5.541 0.000 0.000) 5.541 6.724 ( 2.965 0.000 0.000) 2.965 6.775 ( 1.936 0.000 0.000) 1.936 6.959 ( -3.345 0.000 0.000) 3.345 7.077 ( -1.559 0.000 0.000) 1.559 7.137 ( -1.247 0.000 0.000) 1.247 7.213 ( 0.997 0.000 0.000) 0.997 7.259 ( 2.110 0.000 0.000) 2.110 7.289 ( 1.783 0.000 0.000) 1.783 7.423 ( -1.656 0.000 0.000) 1.656 7.481 ( -2.518 0.000 0.000) 2.518 7.649 ( 2.721 0.000 0.000) 2.721 7.811 ( 4.844 0.000 0.000) 4.844 8.069 ( -2.924 0.000 0.000) 2.924 8.229 ( 0.213 0.000 0.000) 0.213 8.406 ( -0.402 0.000 0.000) 0.402 8.480 ( 3.931 0.000 0.000) 3.931 8.854 ( -3.019 0.000 0.000) 3.019 8.989 ( 1.717 0.000 0.000) 1.717 9.229 ( -2.235 0.000 0.000) 2.235 9.483 ( -0.364 0.000 0.000) 0.364 9.588 ( -2.879 0.000 0.000) 2.879 9.675 ( -0.750 0.000 0.000) 0.750 9.712 ( 1.206 0.000 0.000) 1.206 16.353 ( 1.521 0.000 0.000) 1.521 16.492 ( -1.114 0.000 0.000) 1.114 16.968 ( 0.085 0.000 0.000) 0.085 17.104 ( -1.212 0.000 0.000) 1.212 17.163 ( -0.176 0.000 0.000) 0.176 17.243 ( 0.549 0.000 0.000) 0.549 17.326 ( 0.019 0.000 0.000) 0.019 17.452 ( 0.216 0.000 0.000) 0.216 17.532 ( -1.500 0.000 0.000) 1.500 17.582 ( -0.859 0.000 0.000) 0.859 17.744 ( -0.067 0.000 0.000) 0.067 17.786 ( 1.937 0.000 0.000) 1.937 21.187 ( 0.008 0.000 0.000) 0.008 21.358 ( -0.083 0.000 0.000) 0.083 21.685 ( -0.124 0.000 0.000) 0.124 21.799 ( -0.265 0.000 0.000) 0.265 22.042 ( 1.116 0.000 0.000) 1.116 22.117 ( -0.776 0.000 0.000) 0.776 26.205 ( -0.265 0.000 0.000) 0.265 26.321 ( -0.614 0.000 0.000) 0.614 26.572 ( -0.344 0.000 -0.000) 0.344 26.575 ( -0.331 0.000 0.000) 0.331 26.882 ( 0.574 0.000 0.000) 0.574 26.926 ( -0.531 0.000 0.000) 0.531 34.036 ( 3.285 0.000 0.000) 3.285 34.082 ( 4.105 0.000 0.000) 4.105 35.333 ( -0.265 0.000 0.000) 0.265 35.601 ( -2.037 0.000 0.000) 2.037 36.174 ( 0.398 0.000 0.000) 0.398 36.541 ( -2.143 0.000 0.000) 2.143 36.954 ( 0.106 0.000 0.000) 0.106 37.554 ( -2.157 0.000 0.000) 2.157 37.748 ( 0.052 0.000 0.000) 0.052 38.040 ( 3.176 0.000 0.000) 3.176 38.470 ( -2.576 0.000 0.000) 2.576 39.157 ( -0.901 0.000 0.000) 0.901 ======================= Grid point 24 (15/63) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.357 0.000 0.000) 0.357 1.950 ( 0.956 0.000 0.000) 0.956 2.166 ( 0.159 0.000 0.000) 0.159 2.373 ( -0.032 0.000 0.000) 0.032 2.486 ( 1.109 -0.000 0.000) 1.109 2.600 ( -1.205 -0.000 -0.000) 1.205 2.714 ( 2.103 0.000 0.000) 2.103 2.874 ( 1.551 0.000 0.000) 1.551 2.985 ( -0.874 0.000 0.000) 0.874 3.054 ( 1.172 0.000 0.000) 1.172 3.149 ( -0.822 -0.000 -0.000) 0.822 3.157 ( 0.763 0.000 0.000) 0.763 3.410 ( 1.139 0.000 0.000) 1.139 3.464 ( -2.308 0.000 0.000) 2.308 3.672 ( -4.507 0.000 0.000) 4.507 3.710 ( 0.111 -0.000 0.000) 0.111 3.758 ( 0.320 0.000 0.000) 0.320 3.880 ( 2.786 0.000 0.000) 2.786 3.940 ( -0.045 0.000 -0.000) 0.045 4.008 ( 3.744 -0.000 0.000) 3.744 4.144 ( 3.366 0.000 0.000) 3.366 4.152 ( -3.168 -0.000 0.000) 3.168 4.283 ( 4.153 0.000 0.000) 4.153 4.371 ( 2.617 0.000 0.000) 2.617 4.463 ( -5.572 0.000 0.000) 5.572 4.564 ( -3.984 0.000 0.000) 3.984 4.632 ( 0.661 0.000 0.000) 0.661 4.691 ( -4.064 0.000 0.000) 4.064 4.814 ( 0.395 0.000 0.000) 0.395 5.016 ( -0.810 0.000 -0.000) 0.810 5.215 ( 6.666 0.000 0.000) 6.666 5.286 ( 2.848 -0.000 0.000) 2.848 5.338 ( 1.160 0.000 0.000) 1.160 5.436 ( 4.602 0.000 0.000) 4.602 5.532 ( -9.182 0.000 0.000) 9.182 5.674 ( 1.099 0.000 0.000) 1.099 5.736 ( -3.114 0.000 0.000) 3.114 5.799 ( 0.804 0.000 0.000) 0.804 6.062 ( 1.558 0.000 0.000) 1.558 6.197 ( 0.730 0.000 0.000) 0.730 6.289 ( -3.290 0.000 0.000) 3.290 6.510 ( -1.715 0.000 0.000) 1.715 6.741 ( 4.380 0.000 0.000) 4.380 6.763 ( 1.499 0.000 0.000) 1.499 6.805 ( 1.953 0.000 0.000) 1.953 6.884 ( -4.668 0.000 0.000) 4.668 7.054 ( -0.659 0.000 0.000) 0.659 7.121 ( -0.441 -0.000 0.000) 0.441 7.210 ( -0.474 0.000 0.000) 0.474 7.266 ( -0.667 0.000 0.000) 0.667 7.350 ( 3.674 0.000 0.000) 3.674 7.418 ( 0.091 -0.000 0.000) 0.091 7.440 ( -1.794 0.000 0.000) 1.794 7.673 ( 0.371 0.000 0.000) 0.371 7.919 ( 5.783 0.000 0.000) 5.783 8.011 ( -3.476 -0.000 0.000) 3.476 8.220 ( -0.773 0.000 0.000) 0.773 8.402 ( -0.111 0.000 0.000) 0.111 8.547 ( 2.481 0.000 0.000) 2.481 8.804 ( -1.763 0.000 0.000) 1.763 9.022 ( 1.630 0.000 0.000) 1.630 9.182 ( -2.219 0.000 0.000) 2.219 9.485 ( 0.743 0.000 0.000) 0.743 9.528 ( -2.885 0.000 0.000) 2.885 9.666 ( -0.287 0.000 0.000) 0.287 9.730 ( 0.625 0.000 0.000) 0.625 16.385 ( 1.481 0.000 0.000) 1.481 16.468 ( -1.250 0.000 0.000) 1.250 16.970 ( 0.129 0.000 0.000) 0.129 17.083 ( -0.783 0.000 0.000) 0.783 17.160 ( -0.093 0.000 0.000) 0.093 17.252 ( 0.311 0.000 0.000) 0.311 17.326 ( 0.003 0.000 0.000) 0.003 17.460 ( 0.698 0.000 0.000) 0.698 17.497 ( -1.781 0.000 0.000) 1.781 17.575 ( -0.070 0.000 0.000) 0.070 17.746 ( 0.115 0.000 0.000) 0.115 17.814 ( 0.869 0.000 0.000) 0.869 21.187 ( 0.005 0.000 0.000) 0.005 21.356 ( -0.051 0.000 0.000) 0.051 21.683 ( -0.078 0.000 0.000) 0.078 21.794 ( -0.148 0.000 0.000) 0.148 22.067 ( 1.454 0.000 0.000) 1.454 22.098 ( -1.256 0.000 0.000) 1.256 26.200 ( -0.162 0.000 0.000) 0.162 26.310 ( -0.390 0.000 0.000) 0.390 26.566 ( -0.216 0.000 0.000) 0.216 26.569 ( -0.171 0.000 0.000) 0.171 26.895 ( 0.693 0.000 0.000) 0.693 26.914 ( -0.675 0.000 0.000) 0.675 34.093 ( 2.110 0.000 0.000) 2.110 34.152 ( 2.609 0.000 0.000) 2.609 35.328 ( -0.216 0.000 0.000) 0.216 35.566 ( -1.321 0.000 0.000) 1.321 36.180 ( 0.190 0.000 0.000) 0.190 36.505 ( -1.345 0.000 0.000) 1.345 36.956 ( 0.073 0.000 0.000) 0.073 37.520 ( -1.189 0.000 0.000) 1.189 37.750 ( 0.045 0.000 0.000) 0.045 38.097 ( 2.246 0.000 0.000) 2.246 38.421 ( -2.033 0.000 0.000) 2.033 39.142 ( -0.540 0.000 0.000) 0.540 ======================= Grid point 50 (16/63) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 0.000 26.283) 26.283 1.163 ( 0.000 0.000 29.399) 29.399 2.053 ( 0.000 0.000 34.472) 34.472 2.055 ( 0.000 0.000 4.865) 4.865 2.101 ( 0.000 0.000 1.563) 1.563 2.355 ( 0.000 -0.000 -1.543) 1.543 2.458 ( 0.000 0.000 9.766) 9.766 2.552 ( 0.000 0.000 18.667) 18.667 2.885 ( 0.000 0.000 8.055) 8.055 2.998 ( 0.000 0.000 12.873) 12.873 3.033 ( 0.000 0.000 2.305) 2.305 3.153 ( 0.000 -0.000 -0.717) 0.717 3.208 ( 0.000 -0.000 -2.912) 2.912 3.528 ( 0.000 -0.000 -3.966) 3.966 3.534 ( 0.000 0.000 1.058) 1.058 3.769 ( 0.000 -0.000 -4.352) 4.352 3.801 ( 0.000 0.000 1.073) 1.073 3.825 ( 0.000 -0.000 -6.986) 6.986 3.966 ( 0.000 -0.000 -4.816) 4.816 3.984 ( 0.000 -0.000 -7.284) 7.284 4.166 ( 0.000 -0.000 -3.828) 3.828 4.238 ( 0.000 -0.000 -4.244) 4.244 4.251 ( 0.000 -0.000 -10.030) 10.030 4.352 ( 0.000 -0.000 -5.330) 5.330 4.555 ( 0.000 -0.000 -5.369) 5.369 4.576 ( 0.000 0.000 9.589) 9.589 4.581 ( 0.000 0.000 5.135) 5.135 4.734 ( 0.000 0.000 4.432) 4.432 4.909 ( 0.000 0.000 3.083) 3.083 4.967 ( 0.000 0.000 12.530) 12.530 5.135 ( 0.000 0.000 0.979) 0.979 5.166 ( 0.000 -0.000 -3.213) 3.213 5.167 ( 0.000 -0.000 -8.617) 8.617 5.189 ( 0.000 0.000 16.401) 16.401 5.618 ( 0.000 -0.000 -3.055) 3.055 5.734 ( 0.000 -0.000 -2.418) 2.418 5.757 ( 0.000 0.000 11.131) 11.131 5.795 ( 0.000 0.000 3.920) 3.920 5.807 ( 0.000 -0.000 -0.109) 0.109 6.050 ( 0.000 0.000 3.639) 3.639 6.332 ( 0.000 0.000 5.702) 5.702 6.545 ( 0.000 -0.000 -2.493) 2.493 6.561 ( 0.000 -0.000 -0.872) 0.872 6.619 ( 0.000 0.000 1.127) 1.127 6.729 ( 0.000 -0.000 -2.215) 2.215 6.759 ( 0.000 0.000 6.103) 6.103 7.000 ( 0.000 0.000 5.710) 5.710 7.044 ( 0.000 0.000 0.276) 0.276 7.139 ( 0.000 -0.000 -0.113) 0.113 7.147 ( 0.000 0.000 3.889) 3.889 7.295 ( 0.000 -0.000 -0.020) 0.020 7.470 ( 0.000 -0.000 -2.776) 2.776 7.694 ( 0.000 -0.000 -6.592) 6.592 7.806 ( 0.000 -0.000 -9.600) 9.600 7.902 ( 0.000 -0.000 -1.294) 1.294 8.263 ( 0.000 0.000 1.777) 1.777 8.315 ( 0.000 0.000 2.417) 2.417 8.327 ( 0.000 -0.000 -0.364) 0.364 8.443 ( 0.000 -0.000 -3.269) 3.269 8.653 ( 0.000 0.000 5.409) 5.409 8.904 ( 0.000 0.000 1.523) 1.523 9.046 ( 0.000 0.000 6.988) 6.988 9.129 ( 0.000 0.000 11.532) 11.532 9.517 ( 0.000 0.000 3.129) 3.129 9.913 ( 0.000 -0.000 -6.972) 6.972 10.391 ( 0.000 -0.000 -12.478) 12.478 16.326 ( 0.000 0.000 0.300) 0.300 16.451 ( 0.000 0.000 2.289) 2.289 17.018 ( 0.000 -0.000 -0.372) 0.372 17.119 ( 0.000 0.000 0.443) 0.443 17.262 ( 0.000 0.000 2.010) 2.010 17.304 ( 0.000 -0.000 -3.858) 3.858 17.416 ( 0.000 -0.000 -6.932) 6.932 17.510 ( 0.000 0.000 0.144) 0.144 17.584 ( 0.000 -0.000 -3.662) 3.662 17.741 ( 0.000 -0.000 -4.537) 4.537 17.862 ( 0.000 -0.000 -5.959) 5.959 17.934 ( 0.000 -0.000 -5.642) 5.642 21.186 ( 0.000 0.000 1.133) 1.133 21.233 ( 0.000 0.000 0.504) 0.504 21.741 ( 0.000 -0.000 -0.031) 0.031 21.787 ( 0.000 -0.000 -0.593) 0.593 22.032 ( 0.000 -0.000 -0.074) 0.074 22.148 ( 0.000 -0.000 -1.150) 1.150 26.238 ( 0.000 0.000 0.592) 0.592 26.247 ( 0.000 0.000 0.378) 0.378 26.545 ( 0.000 0.000 1.169) 1.169 26.612 ( 0.000 -0.000 -0.290) 0.290 26.834 ( 0.000 0.000 1.175) 1.175 26.893 ( 0.000 0.000 1.200) 1.200 33.915 ( 0.000 0.000 2.001) 2.001 34.135 ( 0.000 -0.000 -1.361) 1.361 35.306 ( 0.000 -0.000 -0.084) 0.084 36.153 ( 0.000 -0.000 -3.334) 3.334 36.183 ( 0.000 0.000 7.596) 7.596 36.316 ( 0.000 -0.000 -22.818) 22.818 37.133 ( 0.000 0.000 2.052) 2.052 37.181 ( 0.000 0.000 0.610) 0.610 37.832 ( 0.000 0.000 10.899) 10.899 37.931 ( 0.000 0.000 0.606) 0.606 38.085 ( 0.000 0.000 17.730) 17.730 39.442 ( 0.000 -0.000 -5.458) 5.458 ======================= Grid point 51 (17/63) ======================= q-point: ( 0.20 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 10.204 0.000 26.240) 28.154 1.302 ( 21.483 0.000 19.703) 29.151 1.966 ( -5.556 0.000 9.781) 11.249 2.081 ( -2.598 0.000 2.747) 3.781 2.234 ( 9.881 0.000 22.368) 24.454 2.325 ( -3.167 0.000 0.581) 3.220 2.352 ( -4.533 0.000 7.816) 9.035 2.633 ( 7.697 0.000 19.231) 20.714 2.734 ( -14.049 0.000 7.884) 16.110 2.959 ( 7.732 0.000 6.150) 9.880 3.163 ( 2.789 -0.000 -2.622) 3.828 3.266 ( 7.499 0.000 5.342) 9.207 3.322 ( 9.645 -0.000 -2.123) 9.876 3.500 ( -2.805 -0.000 -2.177) 3.551 3.548 ( 2.735 0.000 2.413) 3.648 3.734 ( -1.015 -0.000 -5.264) 5.361 3.736 ( -5.255 -0.000 -1.962) 5.609 3.868 ( -6.073 -0.000 -6.103) 8.610 3.911 ( 1.905 -0.000 -1.737) 2.577 4.012 ( -2.843 -0.000 -1.902) 3.420 4.130 ( 0.238 -0.000 -5.556) 5.561 4.170 ( -6.188 0.000 1.688) 6.414 4.313 ( 3.467 -0.000 -8.927) 9.577 4.337 ( -0.285 -0.000 -6.922) 6.928 4.463 ( -2.367 0.000 0.594) 2.441 4.571 ( -1.090 0.000 4.273) 4.410 4.575 ( -0.495 -0.000 -6.105) 6.125 4.786 ( -11.178 0.000 3.652) 11.760 4.882 ( 9.864 0.000 6.924) 12.051 4.934 ( -1.485 0.000 1.216) 1.919 5.094 ( -3.528 0.000 5.689) 6.694 5.151 ( 6.981 0.000 3.492) 7.806 5.285 ( 6.012 0.000 5.825) 8.371 5.339 ( 7.723 -0.000 -1.593) 7.885 5.519 ( -8.106 0.000 3.962) 9.023 5.678 ( -5.507 0.000 1.664) 5.753 5.733 ( 1.393 -0.000 -1.175) 1.823 5.813 ( 1.243 -0.000 -0.389) 1.303 5.938 ( 7.602 0.000 3.338) 8.302 6.042 ( -0.871 0.000 2.939) 3.065 6.308 ( -0.974 0.000 7.189) 7.255 6.511 ( -3.163 -0.000 -1.187) 3.378 6.575 ( 0.698 -0.000 -0.462) 0.837 6.600 ( -1.150 0.000 1.115) 1.602 6.755 ( 0.034 0.000 4.523) 4.523 6.786 ( 4.331 -0.000 -0.786) 4.402 6.964 ( -3.612 0.000 4.993) 6.162 6.998 ( -3.206 0.000 0.627) 3.267 7.147 ( 3.590 0.000 3.118) 4.755 7.254 ( 6.282 -0.000 -0.425) 6.296 7.309 ( 1.107 0.000 0.150) 1.117 7.466 ( -0.105 -0.000 -2.031) 2.034 7.629 ( -6.131 -0.000 -5.797) 8.438 7.749 ( -5.199 -0.000 -5.609) 7.648 7.942 ( 3.374 -0.000 -4.151) 5.349 8.201 ( -6.048 -0.000 -1.793) 6.308 8.289 ( 0.042 0.000 2.551) 2.551 8.320 ( -0.536 0.000 0.499) 0.733 8.540 ( 6.948 0.000 1.748) 7.165 8.661 ( 0.815 0.000 6.045) 6.100 8.887 ( -1.762 0.000 0.839) 1.951 8.940 ( -6.355 0.000 6.165) 8.854 9.264 ( 9.093 0.000 9.522) 13.166 9.513 ( -0.539 0.000 4.673) 4.704 9.943 ( 3.296 -0.000 -7.997) 8.650 10.320 ( -6.965 -0.000 -12.153) 14.008 16.349 ( 2.066 0.000 0.277) 2.084 16.442 ( -0.939 0.000 2.170) 2.365 17.021 ( 0.329 -0.000 -0.235) 0.404 17.097 ( -2.070 0.000 1.140) 2.363 17.268 ( 0.594 0.000 0.719) 0.933 17.301 ( -0.344 -0.000 -3.272) 3.290 17.417 ( 0.175 -0.000 -5.789) 5.792 17.479 ( -2.176 -0.000 -1.553) 2.673 17.630 ( 3.507 -0.000 -3.514) 4.965 17.757 ( 1.860 -0.000 -3.929) 4.347 17.804 ( -4.394 -0.000 -5.718) 7.211 17.934 ( -1.118 -0.000 -4.726) 4.856 21.187 ( 0.203 0.000 1.171) 1.189 21.222 ( -1.001 0.000 1.020) 1.429 21.742 ( 0.142 -0.000 -0.020) 0.143 21.773 ( -1.151 -0.000 -0.008) 1.151 22.059 ( 2.247 -0.000 -1.114) 2.508 22.143 ( -0.634 -0.000 -1.216) 1.372 26.233 ( -0.398 0.000 0.674) 0.782 26.244 ( -0.330 0.000 0.338) 0.473 26.546 ( 0.243 0.000 1.070) 1.097 26.603 ( -0.996 -0.000 -0.204) 1.017 26.839 ( 0.559 0.000 1.185) 1.310 26.885 ( -0.732 0.000 1.243) 1.443 34.060 ( 11.649 -0.000 -3.204) 12.082 34.160 ( 2.470 -0.000 -1.325) 2.803 35.398 ( 10.263 -0.000 -5.352) 11.575 36.104 ( -5.742 -0.000 -8.547) 10.296 36.187 ( 0.529 0.000 6.284) 6.307 36.288 ( -2.632 -0.000 -16.419) 16.629 37.136 ( 0.264 0.000 2.013) 2.030 37.174 ( -0.673 0.000 0.786) 1.035 37.828 ( -0.053 0.000 9.105) 9.105 37.916 ( -1.574 0.000 1.150) 1.949 38.161 ( 7.983 0.000 19.071) 20.674 39.174 ( -24.740 0.000 7.279) 25.789 ======================= Grid point 52 (18/63) ======================= q-point: ( 0.40 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 15.354 0.000 19.616) 24.911 1.686 ( 18.447 0.000 14.825) 23.666 1.784 ( -13.450 0.000 13.063) 18.750 1.969 ( -10.880 0.000 9.414) 14.388 2.247 ( -1.045 0.000 7.105) 7.182 2.261 ( -2.712 0.000 3.912) 4.760 2.437 ( 5.688 0.000 1.753) 5.952 2.540 ( -7.189 0.000 1.832) 7.419 2.911 ( 21.418 0.000 21.985) 30.694 3.134 ( 11.252 0.000 4.559) 12.141 3.173 ( -4.511 0.000 2.389) 5.104 3.311 ( -0.086 0.000 0.638) 0.644 3.398 ( -2.972 0.000 0.808) 3.080 3.477 ( -18.591 0.000 10.364) 21.285 3.528 ( 7.263 -0.000 -3.221) 7.945 3.622 ( -1.196 -0.000 -1.107) 1.630 3.762 ( 3.171 -0.000 -4.638) 5.619 3.804 ( -0.610 -0.000 -3.404) 3.458 3.884 ( -4.988 0.000 2.967) 5.803 3.892 ( -2.579 -0.000 -0.296) 2.596 4.173 ( 2.734 -0.000 -4.567) 5.323 4.175 ( 3.107 -0.000 -2.151) 3.779 4.316 ( -1.023 -0.000 -8.604) 8.665 4.340 ( -1.154 -0.000 -8.143) 8.225 4.476 ( 2.277 -0.000 -4.078) 4.671 4.530 ( -3.638 -0.000 -0.089) 3.639 4.574 ( 0.740 -0.000 -3.642) 3.717 4.618 ( -5.238 -0.000 -0.340) 5.249 4.940 ( 1.836 0.000 2.705) 3.269 4.981 ( -1.210 0.000 6.446) 6.558 5.107 ( 7.308 0.000 5.137) 8.933 5.246 ( -3.096 0.000 5.723) 6.507 5.352 ( 1.377 0.000 0.134) 1.384 5.374 ( 2.767 0.000 1.997) 3.412 5.477 ( 2.013 0.000 4.140) 4.604 5.556 ( -6.991 0.000 4.136) 8.122 5.780 ( 3.079 -0.000 -3.437) 4.614 5.821 ( -0.874 -0.000 -3.143) 3.262 6.020 ( 1.322 0.000 3.110) 3.379 6.027 ( -0.456 0.000 3.052) 3.086 6.349 ( 5.276 0.000 5.306) 7.483 6.445 ( -4.339 0.000 1.232) 4.511 6.575 ( -0.240 0.000 1.357) 1.378 6.581 ( -0.874 0.000 2.250) 2.413 6.775 ( 2.266 0.000 3.408) 4.093 6.825 ( -1.716 0.000 3.607) 3.994 6.913 ( 0.265 0.000 0.270) 0.378 6.949 ( -2.423 0.000 0.191) 2.430 7.235 ( 5.292 0.000 1.935) 5.635 7.307 ( -1.994 0.000 0.405) 2.034 7.354 ( 4.984 -0.000 -0.835) 5.053 7.447 ( -4.254 -0.000 -0.125) 4.256 7.554 ( 1.378 -0.000 -4.146) 4.369 7.641 ( -6.220 -0.000 -2.892) 6.859 8.011 ( 4.211 -0.000 -5.041) 6.568 8.096 ( -5.220 -0.000 -4.139) 6.661 8.299 ( 0.736 0.000 2.178) 2.299 8.311 ( -0.515 0.000 1.383) 1.476 8.647 ( 4.159 0.000 7.994) 9.011 8.676 ( 0.431 0.000 9.300) 9.310 8.847 ( -2.041 -0.000 -1.354) 2.450 8.851 ( -2.965 0.000 0.809) 3.074 9.408 ( 6.269 0.000 8.387) 10.471 9.488 ( -2.618 0.000 7.092) 7.560 10.034 ( 6.639 -0.000 -10.443) 12.374 10.174 ( -8.377 -0.000 -12.035) 14.663 16.387 ( 1.979 0.000 0.960) 2.200 16.419 ( -1.515 0.000 1.759) 2.322 17.032 ( 0.988 0.000 0.259) 1.021 17.058 ( -1.918 0.000 1.052) 2.188 17.280 ( 0.675 -0.000 -0.884) 1.113 17.292 ( -0.594 -0.000 -2.076) 2.160 17.426 ( 0.773 -0.000 -4.196) 4.267 17.446 ( -1.440 -0.000 -3.035) 3.359 17.686 ( 2.623 -0.000 -5.378) 5.984 17.735 ( -3.066 -0.000 -6.038) 6.772 17.813 ( 4.056 -0.000 -2.700) 4.873 17.888 ( -3.732 -0.000 -3.174) 4.899 21.193 ( 0.451 0.000 1.272) 1.349 21.204 ( -0.798 0.000 1.338) 1.558 21.746 ( 0.334 0.000 0.035) 0.336 21.755 ( -0.693 0.000 0.142) 0.707 22.097 ( 1.870 -0.000 -1.576) 2.445 22.126 ( -1.239 -0.000 -1.402) 1.871 26.230 ( 0.131 0.000 0.476) 0.494 26.236 ( -0.443 0.000 0.312) 0.541 26.557 ( 1.013 0.000 0.602) 1.178 26.580 ( -1.378 0.000 0.096) 1.381 26.853 ( 0.881 0.000 1.203) 1.491 26.870 ( -0.943 0.000 1.229) 1.549 34.207 ( 3.516 -0.000 -3.669) 5.081 34.209 ( 2.237 -0.000 -1.772) 2.854 35.654 ( 16.352 -0.000 -14.895) 22.119 35.933 ( -13.026 -0.000 -16.473) 21.001 36.205 ( 1.420 0.000 2.500) 2.876 36.240 ( -2.415 -0.000 -4.545) 5.147 37.144 ( 0.664 0.000 1.747) 1.869 37.159 ( -0.919 0.000 1.242) 1.545 37.842 ( 1.592 0.000 5.739) 5.955 37.879 ( -2.300 0.000 2.857) 3.667 38.369 ( 14.984 0.000 21.014) 25.810 38.715 ( -23.102 0.000 19.358) 30.140 ======================= Grid point 55 (19/63) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 3.060 17.092) 17.364 1.653 ( 0.000 4.465 18.743) 19.267 2.120 ( 0.000 -1.824 4.124) 4.509 2.180 ( 0.000 1.675 9.273) 9.423 2.281 ( 0.000 -3.329 1.933) 3.849 2.425 ( 0.000 6.437 4.312) 7.748 2.689 ( 0.000 1.753 13.260) 13.376 2.886 ( 0.000 -1.026 6.472) 6.553 2.992 ( 0.000 -2.823 -6.887) 7.443 3.075 ( 0.000 0.792 3.027) 3.129 3.160 ( 0.000 0.885 -2.525) 2.675 3.225 ( 0.000 3.998 16.638) 17.111 3.310 ( 0.000 1.549 8.667) 8.805 3.466 ( 0.000 -3.937 3.304) 5.140 3.558 ( 0.000 1.978 1.753) 2.643 3.699 ( 0.000 -2.601 0.573) 2.663 3.818 ( 0.000 -1.079 -0.537) 1.205 3.843 ( 0.000 3.163 9.836) 10.332 3.921 ( 0.000 2.996 -1.236) 3.241 3.927 ( 0.000 3.424 -1.495) 3.736 4.030 ( 0.000 -3.573 -9.104) 9.780 4.049 ( 0.000 -4.931 -2.881) 5.711 4.185 ( 0.000 2.993 -4.253) 5.200 4.237 ( 0.000 3.800 -7.977) 8.836 4.410 ( 0.000 0.055 -7.756) 7.756 4.684 ( 0.000 1.445 3.975) 4.230 4.771 ( 0.000 -4.681 9.797) 10.858 4.852 ( 0.000 1.274 6.088) 6.220 4.902 ( 0.000 1.703 -4.975) 5.258 5.058 ( 0.000 0.592 -0.813) 1.006 5.059 ( 0.000 -2.606 -2.227) 3.428 5.118 ( 0.000 2.779 -3.075) 4.144 5.230 ( 0.000 -1.291 9.339) 9.428 5.415 ( 0.000 -5.822 7.791) 9.726 5.585 ( 0.000 5.664 -0.239) 5.669 5.699 ( 0.000 -0.268 -2.523) 2.538 5.775 ( 0.000 -2.383 -1.489) 2.809 5.903 ( 0.000 3.808 3.945) 5.484 5.919 ( 0.000 -1.798 6.288) 6.540 6.069 ( 0.000 1.617 -0.597) 1.724 6.437 ( 0.000 0.252 3.182) 3.192 6.522 ( 0.000 2.350 -0.453) 2.393 6.562 ( 0.000 1.052 0.404) 1.127 6.658 ( 0.000 0.796 2.845) 2.954 6.711 ( 0.000 1.015 -0.167) 1.029 6.876 ( 0.000 2.010 4.188) 4.645 7.050 ( 0.000 1.068 -0.204) 1.088 7.081 ( 0.000 -2.990 4.858) 5.705 7.179 ( 0.000 2.909 3.800) 4.786 7.212 ( 0.000 -2.172 4.018) 4.568 7.277 ( 0.000 -0.532 -1.445) 1.540 7.477 ( 0.000 1.281 2.811) 3.089 7.570 ( 0.000 -1.606 -6.880) 7.065 7.625 ( 0.000 1.234 -9.437) 9.517 7.863 ( 0.000 -1.042 -2.524) 2.731 8.244 ( 0.000 -1.755 -4.223) 4.573 8.281 ( 0.000 -2.644 -1.732) 3.161 8.355 ( 0.000 4.148 -1.213) 4.321 8.403 ( 0.000 -2.014 2.116) 2.921 8.790 ( 0.000 4.057 6.405) 7.582 8.931 ( 0.000 -2.404 2.789) 3.682 9.172 ( 0.000 1.349 5.163) 5.336 9.317 ( 0.000 -0.120 8.890) 8.891 9.583 ( 0.000 -0.428 4.268) 4.290 9.773 ( 0.000 0.116 -7.930) 7.931 10.099 ( 0.000 -5.614 -14.943) 15.963 16.333 ( 0.000 0.054 0.341) 0.346 16.489 ( 0.000 -0.006 1.700) 1.700 17.009 ( 0.000 -0.362 -0.699) 0.787 17.126 ( 0.000 -0.750 0.615) 0.970 17.215 ( 0.000 -0.278 -4.405) 4.413 17.288 ( 0.000 -0.933 -5.323) 5.405 17.301 ( 0.000 0.228 1.804) 1.818 17.498 ( 0.000 0.367 -5.001) 5.014 17.537 ( 0.000 -0.472 2.316) 2.363 17.678 ( 0.000 -2.653 -1.861) 3.240 17.762 ( 0.000 2.034 -5.012) 5.409 17.818 ( 0.000 -0.159 -6.418) 6.420 21.197 ( 0.000 -1.714 1.439) 2.238 21.271 ( 0.000 3.547 0.932) 3.667 21.731 ( 0.000 -1.345 -0.415) 1.407 21.782 ( 0.000 0.922 -0.370) 0.994 22.031 ( 0.000 -0.001 -0.054) 0.054 22.131 ( 0.000 0.002 -0.701) 0.701 26.233 ( 0.000 -1.657 0.434) 1.713 26.275 ( 0.000 2.074 0.785) 2.217 26.564 ( 0.000 -0.166 1.029) 1.043 26.600 ( 0.000 -0.173 -0.955) 0.971 26.858 ( 0.000 0.207 1.223) 1.241 26.916 ( 0.000 0.115 1.181) 1.186 33.954 ( 0.000 0.337 1.962) 1.991 34.099 ( 0.000 -0.521 -2.290) 2.349 35.305 ( 0.000 0.764 -0.368) 0.848 35.902 ( 0.000 -7.167 -13.937) 15.672 36.133 ( 0.000 1.246 0.123) 1.252 36.392 ( 0.000 5.601 7.793) 9.597 37.080 ( 0.000 -7.504 -0.035) 7.504 37.280 ( 0.000 10.578 0.660) 10.599 37.914 ( 0.000 -2.398 -1.292) 2.724 37.967 ( 0.000 0.295 3.785) 3.796 38.389 ( 0.000 -1.759 15.496) 15.595 39.299 ( 0.000 -2.982 -7.105) 7.705 ======================= Grid point 56 (20/63) ======================= q-point: ( 0.20 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 10.502 0.833 12.022) 15.985 1.706 ( 6.053 5.072 15.806) 17.669 2.105 ( -2.693 -1.159 7.860) 8.389 2.124 ( -1.951 1.049 4.441) 4.963 2.343 ( 1.965 -1.867 4.865) 5.569 2.445 ( 2.053 4.054 4.684) 6.526 2.607 ( -6.157 3.032 14.085) 15.668 2.876 ( -11.597 1.058 4.968) 12.661 2.928 ( 4.413 -0.394 4.137) 6.062 3.084 ( 4.562 -1.202 -4.096) 6.248 3.201 ( 4.250 1.159 7.914) 9.058 3.300 ( 1.678 -2.311 1.546) 3.248 3.340 ( 5.332 0.485 1.736) 5.628 3.489 ( -0.467 0.798 4.009) 4.114 3.595 ( 3.373 1.310 0.446) 3.646 3.713 ( -0.622 -1.738 5.154) 5.475 3.757 ( 0.355 1.355 3.184) 3.479 3.810 ( -4.173 2.363 1.901) 5.159 3.905 ( -1.074 -0.702 0.639) 1.434 3.986 ( 0.757 0.777 -2.995) 3.186 4.020 ( 4.299 1.984 -2.493) 5.351 4.092 ( 0.995 -5.037 -4.147) 6.600 4.196 ( -0.074 2.548 -6.299) 6.795 4.239 ( 2.037 1.830 -2.000) 3.391 4.426 ( 1.346 1.589 -7.204) 7.499 4.608 ( -9.059 -2.265 11.306) 14.663 4.670 ( -3.830 2.545 3.450) 5.749 4.765 ( -10.409 0.553 -4.120) 11.209 4.926 ( -2.403 -4.308 -0.909) 5.016 5.010 ( 7.166 0.728 5.820) 9.260 5.105 ( 0.054 3.135 -2.845) 4.234 5.223 ( 8.129 0.534 1.704) 8.323 5.333 ( 6.893 -3.715 3.653) 8.641 5.432 ( 1.275 -4.235 6.030) 7.479 5.565 ( -2.195 4.211 1.322) 4.929 5.687 ( -1.247 -0.235 -2.580) 2.875 5.723 ( -3.713 1.316 0.117) 3.941 5.834 ( -4.417 0.541 2.178) 4.954 5.999 ( 4.952 -0.717 2.090) 5.423 6.067 ( -0.049 1.840 0.829) 2.018 6.430 ( -1.187 1.777 3.472) 4.077 6.486 ( -3.273 0.013 -1.278) 3.514 6.581 ( 2.421 0.778 1.222) 2.822 6.652 ( 0.533 1.768 3.190) 3.686 6.764 ( 3.505 0.362 -0.895) 3.635 6.845 ( -2.300 2.151 3.213) 4.499 7.045 ( -0.995 0.930 3.827) 4.062 7.064 ( -2.281 -1.292 4.892) 5.550 7.201 ( 3.177 -0.027 3.004) 4.372 7.256 ( 3.604 -1.061 1.550) 4.064 7.305 ( 2.455 -0.199 -0.674) 2.553 7.461 ( -1.817 1.012 0.085) 2.082 7.546 ( -2.081 -0.219 -2.441) 3.215 7.611 ( -1.215 -0.180 -7.954) 8.049 7.878 ( 1.706 -0.402 -2.924) 3.409 8.139 ( -7.050 -0.653 -3.907) 8.087 8.300 ( 0.279 -1.716 -0.802) 1.915 8.347 ( -0.048 2.344 0.748) 2.461 8.521 ( 8.976 -2.508 -0.801) 9.355 8.800 ( 1.270 4.010 5.404) 6.848 8.908 ( -2.515 -2.830 3.652) 5.261 9.086 ( -6.600 2.617 6.808) 9.836 9.401 ( 6.375 -0.797 5.739) 8.614 9.586 ( 0.138 -0.279 3.750) 3.763 9.785 ( 1.379 -0.317 -8.358) 8.477 10.043 ( -5.689 -4.920 -14.215) 16.082 16.353 ( 1.983 -0.154 0.282) 2.009 16.478 ( -1.204 0.131 1.482) 1.914 17.013 ( 0.544 -0.491 -0.587) 0.939 17.111 ( -1.606 -0.656 0.672) 1.860 17.216 ( 0.074 -0.627 -4.200) 4.248 17.259 ( -1.306 0.482 -2.599) 2.948 17.335 ( 1.956 -1.133 -0.930) 2.444 17.467 ( -2.105 1.108 -1.859) 3.019 17.560 ( 1.351 -0.956 -1.763) 2.418 17.675 ( -1.583 -2.578 -4.215) 5.188 17.737 ( 0.087 1.935 -2.141) 2.887 17.836 ( 0.662 0.079 -5.541) 5.581 21.198 ( 0.044 -1.785 1.431) 2.288 21.268 ( -0.352 3.594 1.167) 3.795 21.731 ( -0.009 -1.510 -0.391) 1.560 21.776 ( -0.526 1.089 -0.156) 1.219 22.046 ( 1.420 -0.041 -0.386) 1.472 22.124 ( -0.736 -0.004 -0.737) 1.042 26.230 ( -0.332 -1.603 0.437) 1.694 26.271 ( -0.454 1.999 0.789) 2.197 26.563 ( -0.047 -0.164 0.901) 0.917 26.592 ( -0.724 -0.168 -0.785) 1.081 26.864 ( 0.585 0.206 1.241) 1.387 26.910 ( -0.660 0.146 1.225) 1.399 34.032 ( 7.132 -0.202 -0.223) 7.139 34.125 ( 2.608 -0.389 -2.158) 3.407 35.339 ( 3.881 0.045 -1.871) 4.308 35.830 ( -7.187 -4.380 -13.274) 15.718 36.156 ( 1.877 -1.422 1.229) 2.656 36.376 ( -1.549 6.087 6.369) 8.945 37.081 ( 0.107 -7.450 -0.075) 7.451 37.276 ( -0.393 10.205 0.887) 10.251 37.895 ( -1.552 -3.409 -0.311) 3.759 37.968 ( -0.007 2.615 3.135) 4.083 38.447 ( 5.992 -4.365 14.295) 16.103 39.191 ( -10.775 -0.433 -2.668) 11.109 ======================= Grid point 57 (21/63) ======================= q-point: ( 0.40 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 4.879 -3.298 5.445) 8.020 1.856 ( 6.648 5.228 3.911) 9.318 2.063 ( -0.229 2.509 12.824) 13.069 2.098 ( -2.025 1.840 8.294) 8.734 2.333 ( -1.818 -5.038 10.590) 11.868 2.466 ( 1.015 2.254 4.599) 5.221 2.550 ( 0.604 5.530 11.216) 12.520 2.659 ( -10.333 3.777 9.550) 14.569 3.052 ( 6.907 -3.256 -0.006) 7.636 3.161 ( -0.099 -0.201 -2.747) 2.756 3.268 ( 3.886 -4.299 -0.781) 5.847 3.326 ( 3.541 -0.609 1.900) 4.065 3.439 ( -0.470 2.765 2.290) 3.620 3.478 ( 4.665 -1.911 -4.512) 6.766 3.568 ( -6.100 4.012 -0.373) 7.311 3.666 ( -3.346 1.449 -0.058) 3.647 3.760 ( 1.891 0.728 5.618) 5.973 3.816 ( -1.175 0.076 5.453) 5.579 3.914 ( 2.344 -0.161 4.414) 5.001 3.965 ( -2.924 3.108 2.751) 5.077 4.084 ( 5.651 -2.732 -4.856) 7.936 4.143 ( 2.960 1.473 -3.771) 5.015 4.209 ( 0.025 -1.669 0.416) 1.720 4.252 ( -1.112 0.739 4.326) 4.528 4.443 ( 0.532 3.185 -2.366) 4.003 4.486 ( -3.552 -4.779 4.252) 7.316 4.565 ( -6.172 3.235 -1.451) 7.117 4.620 ( -3.532 2.423 -0.776) 4.353 4.923 ( 1.304 -5.689 -1.995) 6.168 5.067 ( -1.218 4.410 1.523) 4.822 5.186 ( 8.863 -0.120 2.700) 9.266 5.332 ( -3.100 0.093 1.036) 3.270 5.374 ( 3.181 -1.476 3.892) 5.238 5.436 ( -1.052 -2.788 4.712) 5.575 5.563 ( 2.688 0.693 3.531) 4.491 5.631 ( -4.449 -0.994 2.977) 5.445 5.691 ( -0.140 0.688 -6.446) 6.484 5.771 ( -1.932 3.583 -2.322) 4.686 6.068 ( 0.899 0.644 1.574) 1.923 6.076 ( 2.021 1.125 1.701) 2.871 6.408 ( -0.360 0.298 1.345) 1.424 6.430 ( -2.410 -2.106 -1.342) 3.471 6.636 ( 2.683 2.625 3.373) 5.046 6.663 ( 0.047 2.902 3.598) 4.622 6.799 ( 0.515 -0.558 -0.417) 0.866 6.818 ( -0.742 1.443 -0.080) 1.624 7.018 ( -1.144 0.308 6.501) 6.608 7.027 ( -1.220 0.779 5.870) 6.046 7.263 ( 2.524 -2.291 1.424) 3.695 7.319 ( 2.788 -1.255 -0.116) 3.060 7.339 ( 0.886 0.966 1.175) 1.761 7.415 ( -2.625 0.941 -3.099) 4.169 7.533 ( 0.914 -0.400 0.454) 1.096 7.581 ( -2.032 -0.129 -2.231) 3.021 7.928 ( 3.730 0.193 -3.490) 5.112 8.021 ( -5.744 0.639 -4.059) 7.063 8.300 ( -0.050 -1.949 -0.607) 2.042 8.348 ( 0.104 2.322 0.546) 2.388 8.674 ( 6.965 -4.821 -0.666) 8.497 8.812 ( -2.742 -0.528 1.696) 3.267 8.874 ( 1.961 1.836 7.138) 7.627 8.970 ( -5.803 4.315 7.319) 10.289 9.506 ( 4.538 -1.600 3.433) 5.911 9.578 ( -1.211 0.247 2.872) 3.127 9.826 ( 3.241 -2.066 -10.242) 10.939 9.925 ( -6.173 -2.897 -12.337) 14.096 16.394 ( 2.168 -0.847 0.567) 2.396 16.449 ( -1.720 0.718 0.840) 2.044 17.030 ( 1.239 -1.079 -0.317) 1.673 17.074 ( -2.033 -0.024 0.623) 2.126 17.216 ( -0.031 -1.259 -3.647) 3.859 17.247 ( -0.181 1.382 -2.898) 3.216 17.362 ( 0.895 -2.489 -0.786) 2.759 17.437 ( -0.993 2.542 -1.043) 2.922 17.578 ( 0.668 -2.054 -3.966) 4.516 17.632 ( -1.850 0.223 -4.804) 5.153 17.771 ( 2.291 -0.748 -1.757) 2.982 17.830 ( -1.125 0.867 -3.457) 3.737 21.199 ( 0.030 -1.917 1.415) 2.382 21.262 ( -0.203 3.682 1.498) 3.980 21.730 ( -0.006 -1.822 -0.344) 1.854 21.768 ( -0.267 1.392 0.041) 1.418 22.076 ( 1.695 -0.113 -0.743) 1.854 22.105 ( -1.335 0.010 -0.813) 1.562 26.224 ( -0.179 -1.560 0.404) 1.621 26.263 ( -0.281 1.913 0.756) 2.076 26.566 ( 0.380 -0.175 0.411) 0.586 26.577 ( -0.813 -0.149 -0.273) 0.870 26.877 ( 0.860 0.155 1.273) 1.544 26.895 ( -0.896 0.234 1.265) 1.568 34.143 ( 3.576 -1.313 -2.232) 4.415 34.174 ( 2.050 0.298 -2.217) 3.034 35.448 ( 7.356 -3.237 -6.099) 10.089 35.672 ( -8.922 0.548 -11.431) 14.511 36.184 ( 0.896 -4.802 4.245) 6.472 36.348 ( -1.032 7.504 3.272) 8.251 37.083 ( 0.070 -7.355 -0.147) 7.357 37.269 ( -0.255 9.583 1.268) 9.670 37.872 ( -0.710 -3.797 0.010) 3.863 37.966 ( -0.128 4.662 3.134) 5.619 38.580 ( 6.971 -12.313 11.284) 18.098 38.978 ( -9.795 7.741 5.083) 13.480 ======================= Grid point 60 (22/63) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.000 0.418 4.841) 4.859 1.853 ( 0.000 1.120 1.966) 2.263 2.211 ( 0.000 3.009 -2.078) 3.657 2.307 ( 0.000 -0.554 7.426) 7.447 2.448 ( 0.000 3.697 15.010) 15.458 2.607 ( 0.000 0.312 12.724) 12.728 2.753 ( 0.000 -6.276 -10.965) 12.634 2.802 ( 0.000 -10.332 -5.304) 11.613 2.955 ( 0.000 1.563 10.664) 10.778 3.105 ( 0.000 -3.258 -3.083) 4.486 3.153 ( 0.000 1.772 1.802) 2.527 3.332 ( 0.000 -2.952 4.098) 5.051 3.407 ( 0.000 3.284 2.180) 3.942 3.526 ( 0.000 1.535 2.429) 2.873 3.655 ( 0.000 1.570 3.272) 3.630 3.663 ( 0.000 -3.079 -5.178) 6.025 3.759 ( 0.000 -5.705 -1.746) 5.966 3.852 ( 0.000 2.682 -1.529) 3.087 3.865 ( 0.000 2.043 -4.308) 4.768 3.977 ( 0.000 0.624 -1.127) 1.288 4.083 ( 0.000 6.375 2.960) 7.028 4.099 ( 0.000 -0.738 -0.053) 0.740 4.187 ( 0.000 3.619 1.739) 4.015 4.292 ( 0.000 0.850 -0.027) 0.850 4.412 ( 0.000 5.363 19.829) 20.542 4.692 ( 0.000 -3.704 -6.753) 7.702 4.715 ( 0.000 -2.782 -0.804) 2.896 4.891 ( 0.000 -4.196 0.375) 4.212 4.934 ( 0.000 -0.541 1.076) 1.204 4.992 ( 0.000 2.321 -2.621) 3.501 5.063 ( 0.000 -1.113 -2.418) 2.662 5.120 ( 0.000 5.293 1.719) 5.566 5.333 ( 0.000 -1.279 1.647) 2.085 5.379 ( 0.000 -3.761 -3.067) 4.852 5.581 ( 0.000 -4.363 -5.191) 6.781 5.679 ( 0.000 0.753 1.210) 1.425 5.727 ( 0.000 0.539 0.643) 0.839 5.979 ( 0.000 -0.584 2.588) 2.653 5.993 ( 0.000 2.552 1.623) 3.025 6.121 ( 0.000 4.281 1.635) 4.583 6.425 ( 0.000 -0.522 -1.815) 1.889 6.553 ( 0.000 2.750 -1.012) 2.930 6.594 ( 0.000 0.261 2.094) 2.110 6.704 ( 0.000 -1.967 1.398) 2.413 6.741 ( 0.000 0.586 2.254) 2.329 6.952 ( 0.000 3.529 1.275) 3.752 7.056 ( 0.000 1.933 -0.974) 2.165 7.148 ( 0.000 -0.689 4.106) 4.163 7.229 ( 0.000 -2.183 0.600) 2.264 7.257 ( 0.000 -2.425 0.815) 2.559 7.277 ( 0.000 1.336 0.158) 1.345 7.458 ( 0.000 -0.635 -0.477) 0.795 7.507 ( 0.000 1.356 -4.040) 4.261 7.570 ( 0.000 1.710 4.204) 4.538 7.794 ( 0.000 -1.917 -2.591) 3.223 8.134 ( 0.000 -2.323 -3.620) 4.301 8.222 ( 0.000 -0.195 -2.655) 2.662 8.368 ( 0.000 4.672 -2.371) 5.239 8.439 ( 0.000 -1.821 2.741) 3.290 8.934 ( 0.000 2.801 4.215) 5.061 8.950 ( 0.000 -4.346 2.954) 5.255 9.240 ( 0.000 0.919 0.673) 1.139 9.452 ( 0.000 1.734 4.788) 5.092 9.622 ( 0.000 -0.719 -2.939) 3.026 9.687 ( 0.000 0.790 2.010) 2.160 9.772 ( 0.000 -5.307 -13.105) 14.139 16.339 ( 0.000 -0.014 0.239) 0.240 16.507 ( 0.000 -0.308 0.390) 0.497 16.979 ( 0.000 -0.931 -1.471) 1.741 17.111 ( 0.000 0.469 -2.019) 2.073 17.167 ( 0.000 -0.173 -0.147) 0.227 17.245 ( 0.000 -0.648 1.333) 1.483 17.323 ( 0.000 0.175 0.094) 0.199 17.444 ( 0.000 0.614 -1.054) 1.220 17.560 ( 0.000 -1.430 0.700) 1.592 17.612 ( 0.000 -1.568 -1.816) 2.399 17.729 ( 0.000 1.829 -3.236) 3.717 17.734 ( 0.000 2.174 -1.157) 2.463 21.206 ( 0.000 -1.826 1.547) 2.394 21.327 ( 0.000 2.689 1.406) 3.035 21.705 ( 0.000 -1.559 -0.452) 1.623 21.788 ( 0.000 1.184 -0.325) 1.228 22.031 ( 0.000 -0.000 -0.004) 0.004 22.124 ( 0.000 -0.013 -0.002) 0.013 26.223 ( 0.000 -1.469 0.341) 1.508 26.309 ( 0.000 1.656 0.502) 1.731 26.576 ( 0.000 -0.047 -1.001) 1.002 26.579 ( 0.000 -0.012 0.197) 0.197 26.877 ( 0.000 -0.034 0.659) 0.660 26.934 ( 0.000 -0.190 0.668) 0.694 33.992 ( 0.000 0.678 1.433) 1.585 34.047 ( 0.000 -0.495 -2.441) 2.491 35.311 ( 0.000 1.656 -0.255) 1.675 35.652 ( 0.000 -2.051 -8.275) 8.526 36.173 ( 0.000 -0.285 3.489) 3.500 36.584 ( 0.000 -1.552 10.521) 10.635 37.006 ( 0.000 -5.032 -0.528) 5.059 37.397 ( 0.000 11.838 -0.967) 11.878 37.831 ( 0.000 -3.541 -4.268) 5.545 37.986 ( 0.000 1.605 -2.457) 2.935 38.570 ( 0.000 -5.607 7.253) 9.168 39.153 ( 0.000 1.145 -6.914) 7.008 ======================= Grid point 61 (23/63) ======================= q-point: ( 0.20 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 2.019 -0.826 2.267) 3.146 1.873 ( 1.941 2.520 0.772) 3.273 2.192 ( -1.109 0.667 -0.548) 1.405 2.283 ( -0.436 2.808 8.766) 9.215 2.512 ( 3.084 0.645 11.140) 11.576 2.606 ( -0.278 -0.497 12.568) 12.581 2.767 ( 0.417 -7.173 -5.535) 9.070 2.835 ( 4.300 -5.456 -0.243) 6.951 2.958 ( 1.650 1.769 4.612) 5.209 3.055 ( -1.799 -0.141 0.346) 1.837 3.218 ( 1.246 -2.016 0.353) 2.396 3.262 ( -5.279 -4.413 0.857) 6.934 3.371 ( 0.695 1.088 2.423) 2.746 3.543 ( -5.872 -0.327 -2.512) 6.395 3.616 ( 2.164 4.215 -0.308) 4.748 3.731 ( 3.634 0.434 -0.830) 3.753 3.758 ( -0.955 -2.536 -0.276) 2.724 3.859 ( 2.434 -0.082 -1.201) 2.715 3.911 ( 0.606 -1.186 0.731) 1.519 3.952 ( 0.455 2.227 -1.432) 2.686 4.042 ( -0.668 2.462 -0.362) 2.577 4.110 ( 0.326 5.215 0.341) 5.237 4.237 ( 3.878 1.802 2.617) 5.013 4.302 ( 0.991 0.453 0.656) 1.272 4.465 ( 4.056 4.404 16.324) 17.388 4.623 ( -5.898 -1.964 -4.819) 7.865 4.716 ( -1.203 -0.981 2.178) 2.675 4.791 ( -5.846 -4.840 -1.245) 7.691 4.874 ( -6.739 0.867 4.122) 7.947 5.033 ( 3.512 0.361 -4.673) 5.857 5.093 ( 4.072 -0.411 -0.699) 4.152 5.207 ( 5.664 0.920 -1.806) 6.016 5.349 ( 1.639 -2.027 -1.501) 3.008 5.408 ( 2.601 -4.036 -0.542) 4.832 5.594 ( 1.887 -0.809 -3.182) 3.787 5.653 ( -3.021 0.654 0.925) 3.226 5.731 ( -0.474 2.702 -0.342) 2.765 5.893 ( -7.553 -0.345 3.133) 8.185 6.013 ( 2.226 0.567 0.587) 2.371 6.131 ( 0.741 3.387 1.938) 3.972 6.402 ( -2.513 -1.560 -2.683) 3.993 6.519 ( -4.337 2.819 0.322) 5.183 6.617 ( 4.557 1.399 0.385) 4.783 6.730 ( 1.734 0.031 3.404) 3.820 6.770 ( 2.116 0.087 1.283) 2.477 6.914 ( -3.068 3.132 1.241) 4.556 7.079 ( 0.854 -0.386 -0.050) 0.938 7.141 ( -0.409 -0.870 3.593) 3.719 7.223 ( -0.672 -0.626 0.542) 1.066 7.278 ( 3.068 -0.067 -1.727) 3.521 7.304 ( 1.952 -2.069 2.429) 3.741 7.429 ( -2.008 -0.385 -2.389) 3.144 7.483 ( -1.290 -0.310 -1.228) 1.808 7.620 ( 3.165 2.527 4.455) 6.020 7.817 ( 2.668 -0.720 -2.679) 3.849 8.073 ( -4.870 0.012 -2.256) 5.367 8.246 ( 0.924 -1.592 -2.350) 2.985 8.366 ( -0.060 3.511 -1.973) 4.028 8.495 ( 5.599 -2.005 0.526) 5.971 8.883 ( -3.605 -0.634 1.793) 4.076 8.979 ( 1.523 -0.594 4.662) 4.941 9.199 ( -3.832 2.293 1.994) 4.891 9.467 ( 1.543 0.405 2.050) 2.598 9.622 ( -0.766 -1.854 -1.549) 2.535 9.678 ( -0.727 0.529 -1.725) 1.945 9.752 ( -1.550 -3.594 -9.304) 10.094 16.356 ( 1.742 -0.172 0.194) 1.762 16.494 ( -1.356 -0.132 0.302) 1.396 16.983 ( 0.385 -1.167 -1.443) 1.895 17.099 ( -1.240 0.491 -1.739) 2.192 17.169 ( 0.155 -0.501 0.008) 0.525 17.243 ( -0.138 0.040 1.309) 1.317 17.329 ( 0.532 -0.402 -0.095) 0.673 17.441 ( -0.196 1.037 -0.887) 1.379 17.546 ( -1.612 -1.343 0.123) 2.102 17.596 ( -1.120 -1.086 -1.539) 2.191 17.725 ( 0.310 1.472 -1.706) 2.274 17.764 ( 1.958 1.936 -2.531) 3.739 21.206 ( 0.008 -1.828 1.544) 2.393 21.326 ( -0.092 2.696 1.467) 3.071 21.704 ( -0.064 -1.620 -0.447) 1.681 21.785 ( -0.281 1.211 -0.288) 1.276 22.042 ( 1.126 -0.005 -0.060) 1.128 22.117 ( -0.792 -0.003 -0.032) 0.793 26.220 ( -0.288 -1.445 0.359) 1.517 26.303 ( -0.536 1.590 0.498) 1.750 26.572 ( -0.343 -0.032 -0.957) 1.017 26.575 ( -0.358 -0.008 0.168) 0.395 26.883 ( 0.602 -0.050 0.676) 0.907 26.928 ( -0.574 -0.160 0.687) 0.910 34.035 ( 4.012 0.140 0.218) 4.020 34.081 ( 3.382 0.027 -2.005) 3.932 35.320 ( 1.080 0.876 -0.718) 1.565 35.612 ( -3.993 -0.773 -7.554) 8.579 36.196 ( 2.273 -1.658 4.421) 5.240 36.549 ( -3.459 -0.607 9.109) 9.762 37.007 ( 0.071 -5.019 -0.526) 5.047 37.393 ( -0.398 11.319 -0.689) 11.347 37.813 ( -1.555 -3.783 -4.309) 5.941 38.009 ( 1.978 3.037 -2.123) 4.201 38.572 ( 0.192 -7.920 5.860) 9.854 39.125 ( -2.691 2.841 -4.904) 6.274 ======================= Grid point 62 (24/63) ======================= q-point: ( 0.40 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.619 -2.064 -0.547) 2.223 1.900 ( 0.727 3.761 -2.419) 4.531 2.193 ( 0.634 -1.078 1.478) 1.937 2.289 ( 0.425 4.312 6.789) 8.054 2.550 ( 2.075 -2.213 7.781) 8.351 2.590 ( -1.265 -1.673 14.403) 14.555 2.756 ( -1.275 -2.108 4.310) 4.964 2.884 ( -0.134 0.240 8.729) 8.734 2.998 ( 2.506 -1.894 0.424) 3.170 3.105 ( 1.873 -0.841 -0.837) 2.217 3.157 ( 1.657 -5.174 -3.119) 6.264 3.240 ( -1.769 -6.059 -4.463) 7.730 3.409 ( 1.358 1.102 -0.677) 1.875 3.451 ( -2.739 1.060 -2.678) 3.975 3.602 ( -2.469 5.295 -0.148) 5.844 3.675 ( -3.637 2.108 0.678) 4.258 3.821 ( 3.266 -2.238 -0.959) 4.074 3.866 ( -0.569 -0.133 1.419) 1.534 3.926 ( 0.222 -0.189 -0.778) 0.831 4.017 ( 2.162 -0.535 0.270) 2.244 4.052 ( 2.836 4.547 0.607) 5.393 4.136 ( 1.420 3.405 0.309) 3.702 4.312 ( 4.554 2.003 1.556) 5.212 4.327 ( 1.707 -1.087 1.731) 2.663 4.450 ( -4.689 1.954 -0.200) 5.084 4.541 ( -5.588 2.271 1.932) 6.334 4.665 ( 0.542 -1.431 8.040) 8.184 4.723 ( -2.682 -2.870 9.363) 10.154 4.814 ( -0.450 -1.903 -0.511) 2.022 5.048 ( -0.432 -0.036 -7.368) 7.381 5.197 ( 4.230 0.769 -0.668) 4.351 5.296 ( 4.918 -0.726 -2.398) 5.519 5.376 ( 1.253 -4.151 -3.231) 5.407 5.454 ( 0.838 -2.264 2.341) 3.363 5.571 ( -4.170 -2.431 -0.232) 4.832 5.634 ( -0.315 3.139 -1.486) 3.487 5.689 ( -1.420 3.909 0.903) 4.256 5.796 ( -2.262 1.334 1.046) 2.827 6.064 ( 2.740 -0.968 -1.001) 3.074 6.137 ( -0.368 3.174 2.009) 3.775 6.354 ( -1.883 -3.516 -1.761) 4.360 6.455 ( -2.118 4.011 -0.018) 4.536 6.702 ( 3.597 3.272 -0.222) 4.868 6.747 ( -0.029 1.743 2.538) 3.079 6.802 ( 1.797 -0.058 1.733) 2.497 6.857 ( -3.021 1.487 1.573) 3.716 7.081 ( -0.035 -1.953 0.951) 2.173 7.133 ( -0.505 -0.537 5.223) 5.274 7.216 ( -0.121 -1.601 -2.515) 2.984 7.309 ( 0.149 -2.872 1.938) 3.468 7.361 ( 3.215 1.236 -2.320) 4.153 7.416 ( 0.790 0.002 0.670) 1.036 7.456 ( -2.000 -3.061 -1.375) 3.907 7.656 ( 0.888 1.955 4.766) 5.227 7.889 ( 4.900 1.985 -1.885) 5.613 7.981 ( -5.067 2.118 -1.465) 5.684 8.248 ( -0.287 -2.199 -1.665) 2.773 8.366 ( 0.023 2.903 -1.710) 3.369 8.601 ( 4.469 -4.559 -1.123) 6.483 8.819 ( -2.791 -0.332 -0.131) 2.813 9.006 ( 1.339 0.724 4.227) 4.493 9.128 ( -3.114 3.909 4.145) 6.493 9.507 ( 2.879 -1.444 -1.612) 3.602 9.573 ( -3.872 -2.853 -3.974) 6.239 9.673 ( 0.006 -0.899 -2.051) 2.239 9.736 ( -0.231 -0.347 -4.186) 4.207 16.393 ( 1.954 -0.708 0.196) 2.088 16.463 ( -1.729 0.420 0.085) 1.781 16.992 ( 0.453 -1.786 -1.549) 2.407 17.075 ( -0.982 0.824 -1.029) 1.644 17.171 ( 0.099 -1.091 0.276) 1.130 17.241 ( -0.059 1.064 0.994) 1.457 17.338 ( 0.283 -1.226 -0.226) 1.278 17.439 ( -0.029 2.001 -0.667) 2.109 17.515 ( -1.214 -1.828 -0.790) 2.332 17.584 ( -0.298 -0.286 -0.617) 0.743 17.732 ( 0.328 0.753 -2.210) 2.358 17.791 ( 0.835 2.008 -2.248) 3.128 21.206 ( 0.005 -1.831 1.539) 2.392 21.325 ( -0.056 2.706 1.563) 3.125 21.703 ( -0.041 -1.719 -0.438) 1.774 21.781 ( -0.159 1.257 -0.244) 1.290 22.067 ( 1.532 -0.047 -0.118) 1.538 22.097 ( -1.338 0.046 -0.099) 1.342 26.216 ( -0.175 -1.410 0.382) 1.471 26.294 ( -0.342 1.485 0.482) 1.599 26.566 ( -0.195 -0.053 -0.474) 0.516 26.569 ( -0.207 0.044 -0.287) 0.357 26.897 ( 0.805 -0.131 0.709) 1.081 26.915 ( -0.794 -0.063 0.705) 1.064 34.100 ( 2.294 -0.629 -1.348) 2.734 34.143 ( 2.386 0.830 -1.608) 2.995 35.348 ( 1.593 -1.758 -2.195) 3.232 35.534 ( -3.445 2.492 -5.741) 7.144 36.240 ( 1.924 -4.868 7.071) 8.797 36.484 ( -2.751 2.016 5.745) 6.681 37.008 ( 0.047 -4.993 -0.526) 5.020 37.386 ( -0.258 10.455 -0.232) 10.461 37.790 ( -0.717 -3.869 -4.401) 5.903 38.039 ( 1.008 5.247 -1.508) 5.552 38.576 ( 0.170 -12.293 3.204) 12.705 39.078 ( -1.711 6.042 -1.368) 6.427 ======================= Grid point 65 (25/63) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 -4.140 -1.934) 4.570 1.866 ( 0.000 1.597 -0.789) 1.781 2.078 ( 0.000 -7.041 -9.407) 11.751 2.391 ( 0.000 -8.130 -13.885) 16.090 2.443 ( 0.000 1.899 4.058) 4.481 2.588 ( 0.000 -10.320 -3.136) 10.786 2.782 ( 0.000 3.588 11.160) 11.723 2.863 ( 0.000 -2.427 13.899) 14.109 2.969 ( 0.000 -8.629 -4.142) 9.571 3.140 ( 0.000 1.534 7.481) 7.636 3.163 ( 0.000 -1.332 -1.030) 1.683 3.361 ( 0.000 -4.466 3.297) 5.551 3.441 ( 0.000 -4.590 -4.074) 6.137 3.563 ( 0.000 6.051 -1.097) 6.150 3.572 ( 0.000 -0.334 0.729) 0.802 3.664 ( 0.000 -4.794 -4.450) 6.541 3.730 ( 0.000 -1.272 2.374) 2.693 3.804 ( 0.000 3.249 -3.766) 4.974 3.875 ( 0.000 3.383 0.993) 3.525 3.986 ( 0.000 3.421 0.317) 3.435 4.106 ( 0.000 -0.833 3.167) 3.275 4.108 ( 0.000 2.166 -1.443) 2.603 4.331 ( 0.000 1.001 3.672) 3.806 4.361 ( 0.000 -1.249 8.177) 8.272 4.363 ( 0.000 -10.328 -13.035) 16.631 4.567 ( 0.000 1.340 -4.547) 4.740 4.770 ( 0.000 -0.523 0.001) 0.523 4.832 ( 0.000 0.008 -1.939) 1.939 4.920 ( 0.000 -0.610 -2.220) 2.302 4.982 ( 0.000 1.303 -0.252) 1.327 5.129 ( 0.000 -1.680 6.527) 6.740 5.145 ( 0.000 1.846 -3.645) 4.086 5.263 ( 0.000 -0.762 -6.375) 6.420 5.269 ( 0.000 -0.309 -2.749) 2.766 5.554 ( 0.000 2.976 3.774) 4.806 5.646 ( 0.000 0.368 -2.438) 2.465 5.792 ( 0.000 -0.069 2.248) 2.249 5.952 ( 0.000 -2.874 -4.114) 5.019 6.014 ( 0.000 -0.341 0.351) 0.490 6.174 ( 0.000 1.298 -0.133) 1.304 6.433 ( 0.000 2.954 1.673) 3.395 6.534 ( 0.000 0.736 -2.376) 2.488 6.637 ( 0.000 -1.417 3.108) 3.416 6.676 ( 0.000 -2.302 -1.139) 2.568 6.791 ( 0.000 -1.481 3.385) 3.694 6.959 ( 0.000 0.523 -3.791) 3.827 7.053 ( 0.000 2.290 -1.803) 2.914 7.122 ( 0.000 -2.823 -2.809) 3.982 7.205 ( 0.000 -3.019 -1.490) 3.367 7.245 ( 0.000 -1.038 1.489) 1.815 7.269 ( 0.000 -1.215 -4.161) 4.335 7.438 ( 0.000 2.608 5.702) 6.270 7.588 ( 0.000 -3.326 -1.959) 3.860 7.640 ( 0.000 2.600 8.587) 8.972 7.789 ( 0.000 1.229 2.862) 3.114 8.099 ( 0.000 1.413 0.526) 1.508 8.191 ( 0.000 3.587 -2.582) 4.420 8.376 ( 0.000 3.500 -1.151) 3.684 8.447 ( 0.000 -3.301 0.992) 3.447 8.943 ( 0.000 -5.039 1.568) 5.277 8.966 ( 0.000 -1.570 -1.510) 2.178 9.215 ( 0.000 0.069 -3.552) 3.552 9.389 ( 0.000 -3.853 -10.800) 11.467 9.554 ( 0.000 0.642 -3.595) 3.652 9.693 ( 0.000 8.288 3.324) 8.930 9.776 ( 0.000 0.092 6.020) 6.020 16.340 ( 0.000 -0.228 0.017) 0.229 16.499 ( 0.000 -0.553 -0.687) 0.882 16.957 ( 0.000 0.907 -0.600) 1.087 17.077 ( 0.000 1.391 -2.671) 3.011 17.204 ( 0.000 -0.118 3.693) 3.695 17.293 ( 0.000 -1.231 4.690) 4.849 17.303 ( 0.000 0.444 -2.045) 2.093 17.473 ( 0.000 1.319 2.778) 3.075 17.534 ( 0.000 -1.324 -1.249) 1.820 17.601 ( 0.000 0.721 1.003) 1.236 17.751 ( 0.000 3.480 1.894) 3.962 17.754 ( 0.000 2.274 0.948) 2.464 21.214 ( 0.000 -2.257 1.654) 2.798 21.371 ( 0.000 0.356 1.555) 1.595 21.690 ( 0.000 -0.405 0.143) 0.430 21.791 ( 0.000 0.875 -0.627) 1.076 22.031 ( 0.000 0.003 0.048) 0.048 22.130 ( 0.000 0.034 0.600) 0.600 26.216 ( 0.000 -1.023 0.344) 1.079 26.322 ( 0.000 0.435 -0.350) 0.558 26.552 ( 0.000 0.343 -1.436) 1.477 26.586 ( 0.000 0.276 0.182) 0.331 26.878 ( 0.000 -0.581 -0.186) 0.610 26.935 ( 0.000 -0.677 -0.085) 0.682 33.983 ( 0.000 -0.772 -1.994) 2.138 34.043 ( 0.000 1.703 1.156) 2.058 35.333 ( 0.000 1.664 0.464) 1.727 35.551 ( 0.000 3.655 -3.748) 5.235 36.246 ( 0.000 -3.084 6.298) 7.013 36.731 ( 0.000 -8.272 11.272) 13.982 36.963 ( 0.000 -1.931 -0.078) 1.933 37.479 ( 0.000 11.141 -3.947) 11.820 37.695 ( 0.000 -2.575 -6.526) 7.015 37.923 ( 0.000 3.224 -6.988) 7.696 38.509 ( 0.000 -9.354 -4.467) 10.366 39.095 ( 0.000 5.765 -4.192) 7.128 ======================= Grid point 66 (26/63) ======================= q-point: ( 0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.124 -2.598 -2.122) 3.356 1.887 ( 0.782 3.224 -1.714) 3.734 2.099 ( 3.232 -7.449 -6.467) 10.381 2.407 ( -0.642 -3.421 -0.815) 3.575 2.445 ( 1.104 -6.382 -6.305) 9.039 2.604 ( 3.973 -6.037 -4.179) 8.348 2.795 ( -2.331 -4.245 4.086) 6.336 2.860 ( 1.466 -1.888 11.310) 11.560 3.000 ( 3.736 -0.991 1.427) 4.121 3.075 ( -2.205 -4.313 0.294) 4.853 3.225 ( -0.588 -0.983 4.299) 4.449 3.280 ( -5.658 -2.895 3.090) 7.067 3.407 ( 0.271 -1.786 0.353) 1.840 3.545 ( -2.066 4.494 3.793) 6.233 3.645 ( 0.487 1.490 -0.723) 1.727 3.695 ( 2.577 1.290 -2.428) 3.768 3.738 ( 5.247 -3.711 -4.352) 7.761 3.813 ( 1.752 1.064 -2.162) 2.979 3.919 ( 0.148 0.540 3.024) 3.075 3.997 ( 3.714 4.012 0.256) 5.473 4.035 ( -2.129 -0.709 0.380) 2.275 4.174 ( 2.161 1.903 0.014) 2.880 4.256 ( -4.517 -0.583 2.841) 5.368 4.369 ( 1.697 -6.744 -5.989) 9.178 4.437 ( 3.521 -3.313 -0.400) 4.851 4.540 ( -2.397 1.302 -3.243) 4.238 4.679 ( -8.982 0.389 -5.117) 10.345 4.781 ( -3.998 -2.210 -1.030) 4.683 4.920 ( -3.841 -2.659 2.891) 5.494 5.034 ( 8.137 -2.948 -3.366) 9.286 5.092 ( -0.090 4.664 -1.451) 4.885 5.199 ( 3.153 2.078 5.431) 6.614 5.261 ( 0.285 1.714 -5.122) 5.409 5.346 ( 6.037 -2.554 -2.809) 7.132 5.599 ( 3.946 3.177 1.893) 5.408 5.639 ( -1.918 0.026 -1.277) 2.304 5.757 ( -3.003 0.250 -0.895) 3.144 5.915 ( -5.259 -2.855 2.460) 6.470 6.002 ( 0.940 0.613 -3.197) 3.388 6.183 ( 0.936 0.493 0.439) 1.146 6.390 ( -3.925 1.839 2.372) 4.941 6.528 ( -3.285 1.683 -2.007) 4.201 6.610 ( 3.475 -0.736 -1.249) 3.766 6.758 ( 3.857 -2.722 1.618) 4.990 6.807 ( 1.510 -1.349 2.671) 3.352 6.929 ( -2.614 0.602 -2.156) 3.442 7.060 ( -0.700 -0.950 -1.542) 1.942 7.101 ( 0.039 -1.100 -3.496) 3.665 7.242 ( 2.127 -0.201 -1.026) 2.370 7.259 ( 0.962 -2.487 -2.981) 4.000 7.280 ( 2.289 -1.435 1.550) 3.115 7.427 ( -1.127 2.007 4.548) 5.097 7.536 ( -4.109 -0.322 3.093) 5.153 7.655 ( 0.952 -1.931 0.159) 2.159 7.833 ( 3.948 2.280 3.209) 5.575 8.074 ( -2.631 1.846 1.081) 3.391 8.213 ( 2.170 2.783 -1.570) 3.862 8.364 ( -0.924 2.525 -1.262) 2.970 8.483 ( 3.439 -2.195 0.414) 4.101 8.881 ( -4.968 -2.318 -0.408) 5.497 8.993 ( 1.535 -3.440 -0.999) 3.897 9.197 ( -1.949 -0.461 -3.428) 3.970 9.395 ( 0.963 -2.142 -8.867) 9.172 9.546 ( -1.477 1.414 -2.921) 3.565 9.686 ( -0.078 5.890 3.282) 6.743 9.775 ( -0.202 0.833 5.762) 5.826 16.354 ( 1.463 -0.321 -0.081) 1.500 16.488 ( -1.126 -0.341 -0.605) 1.323 16.959 ( 0.198 0.716 -0.581) 0.943 17.070 ( -0.680 1.331 -2.444) 2.865 17.202 ( -0.223 -0.426 3.777) 3.807 17.293 ( 0.078 -0.671 3.642) 3.704 17.310 ( 0.579 -0.075 -0.758) 0.956 17.471 ( -0.137 1.352 2.259) 2.637 17.529 ( -0.592 -0.856 -0.194) 1.058 17.596 ( -0.381 0.693 1.580) 1.767 17.727 ( -0.944 2.521 0.211) 2.700 17.780 ( 1.112 3.023 0.837) 3.329 21.214 ( 0.011 -2.257 1.662) 2.803 21.370 ( -0.144 0.281 1.440) 1.475 21.688 ( -0.187 -0.450 0.054) 0.490 21.788 ( -0.283 0.859 -0.671) 1.126 22.043 ( 1.193 0.055 0.160) 1.205 22.123 ( -0.824 0.064 0.574) 1.006 26.214 ( -0.231 -1.023 0.383) 1.116 26.316 ( -0.575 0.390 -0.323) 0.766 26.550 ( -0.056 0.346 -1.353) 1.398 26.579 ( -0.682 0.274 0.013) 0.735 26.884 ( 0.604 -0.606 -0.168) 0.872 26.929 ( -0.546 -0.673 -0.093) 0.872 34.024 ( 3.726 -0.045 -1.212) 3.919 34.077 ( 3.349 1.627 0.452) 3.751 35.331 ( -0.151 1.365 0.481) 1.455 35.533 ( -1.705 4.206 -3.152) 5.526 36.271 ( 2.638 -4.271 7.070) 8.670 36.683 ( -4.824 -6.998 9.878) 13.031 36.967 ( 0.342 -1.928 0.339) 1.987 37.473 ( -0.554 9.925 -3.474) 10.530 37.673 ( -1.793 -1.411 -7.260) 7.610 37.958 ( 3.155 3.257 -6.846) 8.212 38.491 ( -1.842 -9.613 -3.897) 10.535 39.084 ( -0.952 5.064 -4.727) 6.993 ======================= Grid point 67 (27/63) ======================= q-point: ( 0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.325 -0.862 -1.716) 1.948 1.878 ( -0.945 3.789 -4.659) 6.079 2.164 ( 2.191 -4.888 -0.971) 5.444 2.388 ( -0.520 -2.005 0.226) 2.083 2.497 ( 5.254 -9.282 -3.681) 11.283 2.635 ( -5.243 -8.702 -3.014) 10.597 2.785 ( 4.961 -6.680 -1.680) 8.489 2.887 ( 0.046 -3.058 3.283) 4.487 2.997 ( -2.383 -4.655 -1.602) 5.470 3.108 ( 0.854 -2.064 4.062) 4.635 3.176 ( 0.765 0.851 4.491) 4.634 3.227 ( -1.614 1.320 6.616) 6.936 3.419 ( 1.070 0.754 1.081) 1.698 3.492 ( -3.871 2.909 4.728) 6.767 3.648 ( 0.848 5.435 -1.286) 5.649 3.733 ( -0.584 1.097 2.488) 2.781 3.796 ( 2.763 -1.857 2.990) 4.475 3.861 ( 2.265 -0.632 -2.256) 3.259 3.904 ( -0.386 -1.188 -0.581) 1.377 4.040 ( -1.987 1.522 -1.069) 2.722 4.099 ( 6.550 2.099 1.797) 7.109 4.170 ( -0.108 -0.935 -1.123) 1.466 4.238 ( 3.452 -2.419 -2.997) 5.172 4.383 ( -2.752 -4.475 -3.117) 6.109 4.442 ( -3.498 -0.041 -2.375) 4.228 4.508 ( -1.083 0.722 -3.879) 4.092 4.559 ( -0.454 -2.883 -5.308) 6.057 4.645 ( -7.287 -4.273 -4.715) 9.675 4.925 ( 1.828 -4.102 3.565) 5.734 5.053 ( -1.658 3.386 -2.113) 4.322 5.227 ( 8.008 -0.101 -0.592) 8.031 5.249 ( 1.489 2.713 3.124) 4.398 5.279 ( 3.718 2.141 -1.895) 4.690 5.443 ( 1.733 -1.308 -2.270) 3.141 5.543 ( -5.561 -2.087 -0.085) 5.940 5.619 ( -3.071 1.051 -4.144) 5.264 5.737 ( 1.535 1.502 2.118) 3.016 5.843 ( -1.765 1.170 3.201) 3.838 6.026 ( 1.053 0.093 -2.476) 2.692 6.199 ( 0.420 0.915 0.728) 1.242 6.328 ( -2.013 -0.836 2.766) 3.522 6.474 ( -1.859 2.020 -1.629) 3.192 6.686 ( 3.198 1.303 -3.907) 5.215 6.795 ( 0.654 -1.490 2.013) 2.589 6.826 ( 0.149 -1.795 0.417) 1.849 6.884 ( -1.726 -1.034 1.284) 2.387 7.047 ( -0.075 -2.031 -1.769) 2.694 7.113 ( 0.471 -1.967 -2.280) 3.048 7.248 ( -0.414 1.952 1.251) 2.355 7.299 ( 2.287 -4.229 1.197) 4.955 7.332 ( 1.921 -0.187 -1.372) 2.368 7.410 ( 0.323 0.434 1.852) 1.929 7.462 ( -3.837 0.081 2.111) 4.380 7.668 ( 0.395 -3.044 -2.040) 3.686 7.913 ( 4.553 2.545 0.861) 5.287 8.008 ( -4.248 3.127 0.824) 5.339 8.254 ( 1.664 0.716 3.186) 3.665 8.349 ( -0.665 2.454 -2.986) 3.921 8.550 ( 3.075 -1.883 -0.297) 3.617 8.789 ( -3.916 -1.011 -2.639) 4.829 9.024 ( 1.704 -2.297 -0.777) 2.964 9.152 ( -2.327 -1.855 -4.009) 4.993 9.431 ( 2.927 0.888 -4.838) 5.724 9.495 ( -3.656 2.327 -2.640) 5.075 9.696 ( 0.702 1.599 3.702) 4.093 9.769 ( -0.377 2.413 4.918) 5.491 16.384 ( 1.417 -0.682 -0.375) 1.617 16.464 ( -1.228 0.202 -0.338) 1.290 16.963 ( 0.182 0.382 -0.573) 0.712 17.057 ( -0.476 1.236 -2.056) 2.446 17.199 ( -0.110 -0.844 3.854) 3.947 17.295 ( 0.062 -0.110 3.395) 3.398 17.319 ( 0.305 -0.638 -0.078) 0.712 17.470 ( 0.011 1.564 1.192) 1.967 17.515 ( -0.671 -0.168 2.020) 2.136 17.592 ( -0.110 0.374 1.823) 1.864 17.720 ( -0.009 2.487 -0.820) 2.619 17.792 ( 0.225 2.932 -0.600) 3.002 21.214 ( 0.007 -2.258 1.675) 2.812 21.368 ( -0.089 0.162 1.255) 1.268 21.685 ( -0.117 -0.515 -0.086) 0.535 21.783 ( -0.152 0.849 -0.711) 1.118 22.069 ( 1.540 0.077 0.333) 1.577 22.102 ( -1.330 0.155 0.512) 1.434 26.210 ( -0.146 -1.020 0.438) 1.120 26.306 ( -0.362 0.334 -0.269) 0.561 26.553 ( 0.389 0.317 -0.992) 1.112 26.565 ( -0.805 0.304 -0.459) 0.975 26.898 ( 0.737 -0.688 -0.149) 1.019 26.917 ( -0.712 -0.620 -0.102) 0.950 34.084 ( 2.123 0.790 -0.384) 2.297 34.138 ( 2.327 1.787 -0.425) 2.965 35.328 ( -0.129 0.807 0.541) 0.980 35.504 ( -1.065 5.214 -2.110) 5.725 36.329 ( 2.810 -7.578 9.635) 12.576 36.588 ( -4.215 -3.678 6.501) 8.576 36.972 ( 0.186 -1.857 0.816) 2.037 37.463 ( -0.391 7.769 -2.763) 8.255 37.648 ( -0.732 0.339 -8.082) 8.122 38.009 ( 1.789 3.922 -7.054) 8.267 38.457 ( -1.302 -10.314 -2.858) 10.781 39.069 ( -0.565 3.984 -5.550) 6.855 ======================= Grid point 70 (28/63) ======================= q-point: ( 0.00 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.000 -14.396 -12.045) 18.770 1.689 ( 0.000 -15.428 -15.512) 21.878 1.912 ( 0.000 -0.544 1.066) 1.197 2.133 ( 0.000 -2.744 -6.327) 6.897 2.413 ( 0.000 -8.059 -0.984) 8.119 2.541 ( 0.000 -2.314 0.276) 2.330 2.756 ( 0.000 -13.096 -3.849) 13.650 2.964 ( 0.000 -11.024 -7.946) 13.589 2.990 ( 0.000 3.919 5.114) 6.443 3.055 ( 0.000 -7.045 -5.510) 8.943 3.222 ( 0.000 -5.879 -3.173) 6.681 3.234 ( 0.000 -13.608 -10.325) 17.081 3.294 ( 0.000 -0.665 -1.730) 1.854 3.380 ( 0.000 0.215 1.067) 1.088 3.550 ( 0.000 0.965 -3.532) 3.661 3.631 ( 0.000 -1.861 4.476) 4.848 3.846 ( 0.000 3.362 6.772) 7.560 3.875 ( 0.000 3.214 4.835) 5.806 3.984 ( 0.000 5.741 3.284) 6.614 4.034 ( 0.000 -2.006 1.383) 2.437 4.112 ( 0.000 -2.349 4.323) 4.920 4.118 ( 0.000 3.617 -2.650) 4.484 4.206 ( 0.000 -2.899 8.229) 8.724 4.395 ( 0.000 0.979 -1.945) 2.178 4.454 ( 0.000 1.015 5.348) 5.444 4.528 ( 0.000 -0.015 -1.060) 1.060 4.679 ( 0.000 -0.593 -7.294) 7.318 4.816 ( 0.000 -0.926 -7.174) 7.234 4.846 ( 0.000 5.824 -3.792) 6.950 4.977 ( 0.000 1.898 -2.453) 3.102 5.066 ( 0.000 -2.840 -3.673) 4.643 5.116 ( 0.000 -2.422 0.259) 2.436 5.176 ( 0.000 3.753 -1.935) 4.222 5.269 ( 0.000 -2.984 0.920) 3.123 5.596 ( 0.000 0.309 -3.946) 3.958 5.678 ( 0.000 2.414 -1.708) 2.957 5.767 ( 0.000 -0.450 -3.780) 3.806 5.853 ( 0.000 -2.680 1.725) 3.187 6.034 ( 0.000 -3.833 3.985) 5.529 6.136 ( 0.000 -1.294 -3.512) 3.743 6.445 ( 0.000 -2.001 -2.399) 3.125 6.536 ( 0.000 -0.036 0.757) 0.758 6.632 ( 0.000 -0.236 -1.110) 1.135 6.668 ( 0.000 -3.155 2.668) 4.132 6.831 ( 0.000 -3.647 4.006) 5.417 6.865 ( 0.000 -0.301 -3.852) 3.863 7.037 ( 0.000 2.558 -2.686) 3.709 7.074 ( 0.000 -4.533 1.722) 4.849 7.132 ( 0.000 -3.346 -2.129) 3.966 7.157 ( 0.000 -1.592 -3.977) 4.284 7.277 ( 0.000 0.769 1.068) 1.316 7.507 ( 0.000 -2.735 -1.174) 2.977 7.640 ( 0.000 3.415 9.619) 10.208 7.790 ( 0.000 1.327 5.928) 6.075 7.860 ( 0.000 1.241 2.579) 2.863 8.170 ( 0.000 5.227 2.500) 5.794 8.195 ( 0.000 4.922 -2.280) 5.424 8.397 ( 0.000 0.886 0.380) 0.964 8.410 ( 0.000 -4.428 -0.177) 4.431 8.875 ( 0.000 -4.398 -3.845) 5.842 8.904 ( 0.000 -3.724 -0.406) 3.746 9.127 ( 0.000 -1.441 -5.160) 5.358 9.143 ( 0.000 -2.718 -11.637) 11.950 9.499 ( 0.000 0.554 -3.046) 3.096 9.873 ( 0.000 14.795 0.948) 14.826 9.895 ( 0.000 0.697 6.150) 6.189 16.335 ( 0.000 -0.402 -0.118) 0.419 16.474 ( 0.000 -0.946 -1.178) 1.510 16.974 ( 0.000 2.789 -0.028) 2.790 17.047 ( 0.000 1.531 -2.169) 2.655 17.216 ( 0.000 0.956 -3.020) 3.167 17.336 ( 0.000 -0.040 4.989) 4.990 17.387 ( 0.000 -0.955 6.728) 6.796 17.504 ( 0.000 -0.792 -0.494) 0.934 17.551 ( 0.000 2.598 2.657) 3.716 17.654 ( 0.000 1.990 3.294) 3.849 17.817 ( 0.000 2.904 2.705) 3.969 17.843 ( 0.000 4.255 3.272) 5.368 21.218 ( 0.000 -2.849 1.689) 3.312 21.392 ( 0.000 -2.168 1.988) 2.942 21.702 ( 0.000 0.906 0.697) 1.143 21.783 ( 0.000 0.606 -1.011) 1.179 22.032 ( 0.000 0.007 0.070) 0.071 22.146 ( 0.000 0.210 0.932) 0.955 26.215 ( 0.000 -0.568 0.415) 0.704 26.307 ( 0.000 -0.660 -1.047) 1.238 26.532 ( 0.000 0.436 -1.171) 1.249 26.592 ( 0.000 0.678 -0.105) 0.686 26.861 ( 0.000 -1.040 -0.709) 1.259 26.918 ( 0.000 -1.060 -0.673) 1.256 33.940 ( 0.000 -0.961 -1.702) 1.955 34.086 ( 0.000 2.106 1.126) 2.388 35.343 ( 0.000 -0.560 -0.122) 0.573 35.599 ( 0.000 11.104 0.170) 11.105 36.337 ( 0.000 -5.594 8.837) 10.459 36.834 ( 0.000 -11.690 12.284) 16.957 36.961 ( 0.000 0.437 0.468) 0.640 37.436 ( 0.000 3.498 -9.654) 10.268 37.592 ( 0.000 5.222 -5.926) 7.898 37.800 ( 0.000 2.927 -10.276) 10.684 38.276 ( 0.000 -10.054 -8.078) 12.898 39.069 ( 0.000 7.663 -7.630) 10.814 ======================= Grid point 71 (29/63) ======================= q-point: ( 0.20 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 5.493 -9.399 -8.928) 14.079 1.752 ( 5.274 -11.330 -15.182) 19.664 1.926 ( 2.936 -3.363 1.475) 4.702 2.174 ( 2.050 -7.192 -5.262) 9.144 2.388 ( -1.635 -4.855 -2.983) 5.928 2.531 ( 0.982 -4.100 -0.870) 4.304 2.699 ( -7.304 -10.754 -1.792) 13.123 2.914 ( -5.035 -8.828 -6.364) 11.991 2.978 ( -0.240 -3.854 -0.599) 3.907 3.084 ( 3.817 -0.451 2.938) 4.838 3.217 ( 5.434 -12.391 -10.762) 17.288 3.294 ( 0.490 -3.428 -1.706) 3.861 3.354 ( 4.006 -3.215 -0.740) 5.189 3.432 ( 5.115 0.349 -0.922) 5.209 3.585 ( 3.975 0.011 -3.300) 5.167 3.678 ( 3.809 -1.540 2.926) 5.044 3.769 ( -3.336 3.557 4.763) 6.817 3.903 ( -0.463 4.811 5.889) 7.618 3.951 ( -3.235 -2.334 -0.549) 4.027 4.020 ( -1.133 0.223 4.383) 4.533 4.115 ( -0.852 0.094 -1.348) 1.598 4.132 ( 0.753 0.136 2.103) 2.238 4.199 ( -0.726 -1.945 3.145) 3.769 4.349 ( -5.908 -0.595 -2.874) 6.597 4.395 ( -1.295 0.339 3.716) 3.950 4.559 ( 1.074 1.013 2.096) 2.564 4.662 ( -8.440 3.885 -2.869) 9.724 4.716 ( -0.558 0.316 -4.581) 4.626 4.882 ( -6.128 -1.328 -0.806) 6.322 4.955 ( 5.918 -0.119 -4.791) 7.615 4.994 ( -0.382 2.479 -7.797) 8.190 5.199 ( 5.578 0.515 -2.697) 6.218 5.252 ( 4.418 -0.566 -2.802) 5.262 5.379 ( 8.510 0.408 6.063) 10.456 5.577 ( -2.117 -0.513 -4.340) 4.856 5.616 ( -7.105 -0.515 -5.982) 9.302 5.754 ( 2.430 -0.684 1.881) 3.148 5.932 ( 5.120 0.051 0.707) 5.169 5.979 ( -4.666 -1.910 3.278) 6.013 6.149 ( 0.726 -2.661 -2.323) 3.606 6.446 ( -1.121 -0.872 -3.345) 3.634 6.497 ( -3.889 0.380 0.726) 3.975 6.578 ( -0.745 -3.164 1.098) 3.431 6.737 ( 3.183 -2.739 -1.128) 4.348 6.804 ( -1.070 -2.684 -0.214) 2.897 6.898 ( 1.143 -2.080 1.183) 2.652 7.009 ( -2.618 -1.851 -1.486) 3.534 7.060 ( 0.232 -0.784 -0.488) 0.951 7.153 ( 3.334 -2.337 -4.006) 5.712 7.210 ( 3.593 -0.355 -1.038) 3.757 7.301 ( 1.925 0.041 0.923) 2.135 7.493 ( -1.942 -1.879 -0.683) 2.787 7.610 ( -2.800 1.889 7.679) 8.389 7.717 ( -5.193 1.614 5.346) 7.626 7.909 ( 3.048 1.284 2.865) 4.376 8.124 ( -3.445 3.276 0.864) 4.832 8.230 ( 2.602 4.669 -1.500) 5.552 8.362 ( -1.527 -1.824 -0.270) 2.394 8.480 ( 4.761 -0.427 1.124) 4.911 8.810 ( -5.662 -2.693 -4.264) 7.582 8.917 ( 0.920 -4.620 -1.493) 4.942 9.064 ( -3.201 -3.762 -7.450) 8.939 9.237 ( 6.047 0.391 -7.591) 9.713 9.496 ( -0.742 1.101 -4.345) 4.544 9.858 ( -0.640 10.043 4.598) 11.064 9.912 ( 1.064 4.648 5.657) 7.399 16.347 ( 1.156 -0.421 -0.223) 1.250 16.467 ( -0.656 -0.719 -1.066) 1.443 16.973 ( -0.058 2.583 -0.091) 2.585 17.041 ( -0.523 1.400 -2.082) 2.563 17.230 ( 1.445 0.590 -2.092) 2.610 17.323 ( -1.224 -0.365 4.528) 4.705 17.395 ( 0.659 -0.566 6.603) 6.659 17.490 ( -0.997 -0.113 -0.464) 1.106 17.571 ( 1.537 2.228 3.301) 4.269 17.656 ( 0.308 2.274 3.025) 3.797 17.784 ( -2.360 2.580 2.900) 4.543 17.846 ( -0.545 4.073 1.982) 4.562 21.219 ( 0.052 -2.885 1.757) 3.378 21.382 ( -0.912 -2.503 1.284) 2.957 21.698 ( -0.393 0.912 0.576) 1.148 21.778 ( -0.407 0.517 -1.111) 1.291 22.049 ( 1.617 0.229 0.403) 1.682 22.138 ( -0.813 0.261 0.920) 1.255 26.214 ( -0.138 -0.583 0.504) 0.783 26.301 ( -0.535 -0.716 -1.008) 1.348 26.531 ( 0.060 0.474 -1.209) 1.300 26.582 ( -0.999 0.668 -0.241) 1.226 26.867 ( 0.608 -1.063 -0.681) 1.401 26.912 ( -0.569 -1.090 -0.681) 1.406 34.011 ( 6.382 0.838 -0.343) 6.446 34.111 ( 2.539 2.154 0.850) 3.437 35.357 ( 1.473 0.937 0.994) 2.008 35.590 ( -0.942 10.805 0.559) 10.861 36.363 ( 2.839 -6.721 9.474) 11.958 36.772 ( -6.040 -9.925 10.364) 15.569 36.978 ( 1.374 -0.489 2.017) 2.489 37.417 ( -1.867 1.294 -9.001) 9.283 37.580 ( -0.753 8.109 -6.965) 10.716 37.831 ( 2.679 2.379 -10.374) 10.975 38.273 ( -0.270 -10.098 -7.245) 12.431 39.018 ( -4.729 4.820 -9.421) 11.591 ======================= Grid point 72 (30/63) ======================= q-point: ( 0.40 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 4.606 -2.965 -4.010) 6.788 1.779 ( -1.832 -0.674 -8.674) 8.891 2.045 ( 6.729 -9.629 -4.862) 12.713 2.168 ( -0.607 -13.790 -7.360) 15.643 2.362 ( -2.073 -7.656 -4.568) 9.153 2.537 ( -5.303 -4.502 0.484) 6.973 2.637 ( 7.205 -7.713 -3.112) 11.004 2.785 ( -8.015 -9.719 -3.272) 13.016 3.002 ( 1.577 -0.874 2.479) 3.065 3.184 ( 4.640 -0.009 1.576) 4.900 3.267 ( 0.849 0.991 4.395) 4.585 3.324 ( 0.092 -3.177 2.029) 3.771 3.417 ( 1.490 -3.320 -5.131) 6.290 3.542 ( 10.763 -8.405 -10.044) 16.951 3.673 ( 0.226 3.079 4.897) 5.789 3.682 ( 2.914 1.838 0.721) 3.519 3.775 ( -3.363 -3.681 -0.848) 5.057 3.825 ( -6.076 -4.834 -5.122) 9.301 3.935 ( 0.873 -0.625 4.348) 4.479 3.995 ( -3.331 -0.076 -2.212) 3.999 4.033 ( 0.247 -1.903 -0.313) 1.945 4.122 ( -2.161 -0.930 -4.933) 5.466 4.240 ( 2.616 0.415 6.136) 6.683 4.287 ( -0.477 -0.811 0.036) 0.941 4.346 ( -4.053 0.307 4.063) 5.748 4.529 ( -3.000 5.034 0.169) 5.863 4.566 ( -2.051 1.461 -0.639) 2.598 4.665 ( -1.627 3.150 3.098) 4.708 4.864 ( 1.541 -0.986 -3.748) 4.171 4.939 ( -2.483 0.920 -9.464) 9.827 5.151 ( 11.447 -0.547 -5.128) 12.555 5.269 ( 1.785 2.577 0.191) 3.141 5.343 ( 2.247 -0.726 -5.794) 6.257 5.391 ( -5.534 -0.258 -0.401) 5.555 5.508 ( -4.067 -0.626 -5.293) 6.705 5.576 ( 2.279 -1.644 4.773) 5.539 5.808 ( 2.241 0.430 3.858) 4.482 5.905 ( -2.406 -0.640 1.837) 3.094 6.011 ( 2.853 2.240 0.859) 3.727 6.151 ( -0.406 -4.287 -3.060) 5.283 6.407 ( -1.738 0.607 1.253) 2.227 6.432 ( -2.330 -2.214 -1.321) 3.475 6.607 ( 2.074 -3.048 -2.833) 4.650 6.751 ( -0.806 -1.061 -4.031) 4.245 6.802 ( 0.412 -5.315 1.422) 5.517 6.885 ( -1.330 -2.663 0.126) 2.979 7.001 ( 0.774 -2.662 0.457) 2.810 7.071 ( 0.559 -1.432 -0.588) 1.646 7.225 ( 3.842 -0.011 -2.878) 4.800 7.263 ( 0.858 0.127 -1.521) 1.751 7.337 ( 2.808 -0.905 1.266) 3.210 7.425 ( -4.870 -0.452 0.067) 4.891 7.573 ( -0.919 1.589 6.121) 6.391 7.638 ( -2.789 -0.032 2.495) 3.742 7.958 ( 2.195 1.428 2.330) 3.505 8.063 ( -2.681 2.769 1.663) 4.198 8.280 ( 2.370 2.476 -3.071) 4.602 8.335 ( -1.494 -1.930 0.806) 2.570 8.564 ( 3.986 1.624 1.027) 4.425 8.704 ( -5.016 -2.028 -4.496) 7.035 8.947 ( 2.499 -4.757 -4.064) 6.738 9.006 ( -3.283 -3.996 -5.209) 7.340 9.339 ( 4.431 1.569 -6.979) 8.414 9.464 ( -2.355 3.075 -5.703) 6.894 9.856 ( 0.144 7.017 8.144) 10.751 9.925 ( 0.351 5.867 6.728) 8.934 16.369 ( 0.884 -0.643 -0.468) 1.189 16.454 ( -0.610 -0.214 -0.836) 1.056 16.972 ( -0.010 2.193 -0.194) 2.202 17.032 ( -0.339 1.268 -1.908) 2.316 17.262 ( 1.916 -0.162 -0.028) 1.923 17.296 ( -1.705 -0.527 3.046) 3.531 17.405 ( 0.328 -0.194 6.587) 6.598 17.477 ( -0.390 0.357 -0.698) 0.875 17.590 ( 0.432 2.028 4.658) 5.099 17.664 ( 0.408 2.909 3.262) 4.389 17.757 ( -0.422 2.491 2.105) 3.288 17.825 ( -1.218 3.584 0.373) 3.804 21.220 ( 0.037 -2.947 1.885) 3.499 21.367 ( -0.531 -2.931 0.232) 2.988 21.692 ( -0.209 0.953 0.456) 1.077 21.773 ( -0.168 0.469 -1.143) 1.247 22.081 ( 1.676 0.386 0.756) 1.878 22.118 ( -1.280 0.398 0.898) 1.614 26.211 ( -0.095 -0.592 0.635) 0.874 26.292 ( -0.296 -0.743 -0.895) 1.200 26.539 ( 0.811 0.559 -1.028) 1.424 26.560 ( -1.311 0.651 -0.618) 1.589 26.880 ( 0.685 -1.116 -0.650) 1.462 26.900 ( -0.673 -1.105 -0.690) 1.467 34.105 ( 2.844 2.407 0.896) 3.832 34.162 ( 2.191 2.626 0.398) 3.443 35.389 ( 1.486 4.401 3.335) 5.718 35.570 ( -0.908 9.783 0.942) 9.870 36.434 ( 4.161 -10.102 12.345) 16.485 36.649 ( -6.043 -6.923 6.946) 11.519 36.999 ( 0.660 -0.699 3.157) 3.300 37.384 ( -1.226 -0.891 -8.764) 8.894 37.574 ( -0.028 10.755 -7.429) 13.072 37.872 ( 1.345 2.193 -11.213) 11.504 38.269 ( -0.160 -10.148 -5.549) 11.567 38.939 ( -2.817 0.534 -12.211) 12.543 ======================= Grid point 75 (31/63) ======================= q-point: ( 0.00 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 -22.488 -14.127) 26.557 1.180 ( 0.000 -25.375 -15.120) 29.538 1.838 ( 0.000 -21.203 -11.071) 23.920 2.061 ( 0.000 -1.438 -1.136) 1.832 2.157 ( 0.000 -13.951 -14.959) 20.455 2.350 ( 0.000 -4.301 -3.481) 5.533 2.553 ( 0.000 -14.208 -2.080) 14.359 2.597 ( 0.000 -6.984 -1.793) 7.211 2.942 ( 0.000 -11.544 -10.578) 15.658 2.950 ( 0.000 -7.593 -1.237) 7.693 3.100 ( 0.000 3.563 2.104) 4.138 3.127 ( 0.000 -8.759 0.661) 8.784 3.316 ( 0.000 -0.927 1.236) 1.545 3.462 ( 0.000 5.180 4.407) 6.801 3.543 ( 0.000 5.727 -0.849) 5.789 3.668 ( 0.000 -5.254 2.500) 5.818 3.972 ( 0.000 0.787 2.933) 3.037 3.978 ( 0.000 5.101 -1.252) 5.253 4.032 ( 0.000 1.077 1.778) 2.079 4.051 ( 0.000 0.570 5.897) 5.925 4.225 ( 0.000 5.499 5.075) 7.483 4.240 ( 0.000 0.979 4.426) 4.533 4.350 ( 0.000 -1.731 8.999) 9.164 4.397 ( 0.000 5.214 1.931) 5.560 4.474 ( 0.000 -2.405 -3.249) 4.042 4.538 ( 0.000 -0.237 1.489) 1.508 4.568 ( 0.000 1.712 -3.869) 4.231 4.708 ( 0.000 -1.647 -1.085) 1.972 4.764 ( 0.000 4.739 -9.117) 10.276 4.916 ( 0.000 0.846 -5.177) 5.245 4.935 ( 0.000 -4.025 -5.755) 7.023 5.150 ( 0.000 0.749 2.799) 2.897 5.256 ( 0.000 -3.718 3.001) 4.778 5.287 ( 0.000 4.842 5.192) 7.099 5.531 ( 0.000 -0.548 -1.218) 1.335 5.552 ( 0.000 -2.399 -7.554) 7.926 5.691 ( 0.000 1.865 -5.104) 5.434 5.889 ( 0.000 -4.055 1.839) 4.452 6.042 ( 0.000 -1.515 -4.305) 4.564 6.047 ( 0.000 -6.901 2.908) 7.489 6.304 ( 0.000 -7.442 -5.856) 9.470 6.564 ( 0.000 1.698 1.591) 2.326 6.616 ( 0.000 0.198 -1.285) 1.301 6.665 ( 0.000 -4.226 1.314) 4.425 6.854 ( 0.000 -4.913 3.018) 5.766 6.855 ( 0.000 -0.478 2.055) 2.109 7.016 ( 0.000 2.578 -2.316) 3.466 7.073 ( 0.000 -1.567 -1.122) 1.927 7.084 ( 0.000 -0.049 0.374) 0.377 7.140 ( 0.000 -5.328 9.016) 10.472 7.279 ( 0.000 0.476 -0.988) 1.097 7.530 ( 0.000 1.591 3.536) 3.877 7.802 ( 0.000 0.385 5.916) 5.928 7.902 ( 0.000 0.551 1.002) 1.143 7.911 ( 0.000 3.209 4.532) 5.553 8.198 ( 0.000 2.826 -2.264) 3.621 8.234 ( 0.000 2.584 -1.972) 3.251 8.385 ( 0.000 -2.354 -0.967) 2.545 8.386 ( 0.000 -1.150 2.142) 2.431 8.763 ( 0.000 -5.887 -2.202) 6.285 8.870 ( 0.000 -0.692 -0.418) 0.808 8.929 ( 0.000 -0.900 -8.597) 8.644 9.011 ( 0.000 -3.246 -4.207) 5.313 9.462 ( 0.000 0.633 -1.616) 1.735 9.977 ( 0.000 16.709 -9.441) 19.191 9.998 ( 0.000 0.962 3.824) 3.944 16.329 ( 0.000 -0.416 -0.085) 0.424 16.439 ( 0.000 -1.441 -1.140) 1.837 17.002 ( 0.000 3.054 -0.581) 3.109 17.032 ( 0.000 1.664 -1.239) 2.075 17.178 ( 0.000 2.201 -2.318) 3.197 17.387 ( 0.000 -2.360 1.134) 2.618 17.495 ( 0.000 -0.647 5.203) 5.243 17.524 ( 0.000 0.935 2.523) 2.691 17.604 ( 0.000 3.195 0.189) 3.201 17.765 ( 0.000 3.283 5.134) 6.094 17.892 ( 0.000 2.970 1.456) 3.308 17.944 ( 0.000 4.356 2.416) 4.981 21.214 ( 0.000 -3.100 1.219) 3.331 21.415 ( 0.000 -3.272 4.280) 5.387 21.725 ( 0.000 1.126 0.406) 1.197 21.768 ( 0.000 0.701 -1.352) 1.523 22.034 ( 0.000 0.008 0.051) 0.051 22.166 ( 0.000 0.443 0.813) 0.926 26.218 ( 0.000 -0.467 0.479) 0.669 26.276 ( 0.000 -0.867 -1.191) 1.473 26.519 ( 0.000 0.271 -0.633) 0.689 26.597 ( 0.000 0.884 -0.214) 0.910 26.836 ( 0.000 -1.129 -0.580) 1.270 26.893 ( 0.000 -1.150 -0.656) 1.324 33.903 ( 0.000 -1.103 -1.072) 1.538 34.123 ( 0.000 1.800 0.579) 1.890 35.328 ( 0.000 -1.070 -0.276) 1.105 35.750 ( 0.000 14.130 0.661) 14.145 36.467 ( 0.000 -6.574 13.379) 14.907 36.970 ( 0.000 -9.215 15.525) 18.054 36.974 ( 0.000 1.476 -0.833) 1.695 37.264 ( 0.000 3.645 -12.523) 13.042 37.506 ( 0.000 2.987 -9.603) 10.057 37.597 ( 0.000 -0.399 -13.734) 13.739 38.076 ( 0.000 -8.539 -1.660) 8.699 38.942 ( 0.000 8.223 -16.227) 18.192 ======================= Grid point 76 (32/63) ======================= q-point: ( 0.20 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 13.119 -18.048 -11.414) 25.062 1.294 ( 13.213 -20.300 -14.177) 28.065 1.916 ( 2.530 -7.580 -0.362) 7.999 2.064 ( -4.041 -5.869 -1.847) 7.361 2.196 ( 7.939 -19.786 -18.421) 28.175 2.321 ( 2.259 -5.397 -3.332) 6.733 2.544 ( -3.491 -12.026 -3.978) 13.139 2.580 ( -0.655 -8.791 -4.635) 9.960 2.761 ( -5.585 -8.436 -3.481) 10.699 3.045 ( 4.210 -7.963 0.151) 9.008 3.144 ( 3.799 2.169 1.593) 4.655 3.266 ( 7.644 -5.293 -2.085) 9.529 3.380 ( 2.821 -2.035 1.439) 3.764 3.424 ( 2.500 4.542 0.496) 5.209 3.587 ( 1.573 3.796 1.832) 4.499 3.681 ( 1.681 -4.298 0.563) 4.649 3.851 ( -10.089 -0.330 -1.797) 10.253 3.923 ( -5.905 1.172 2.181) 6.403 4.003 ( -4.314 -0.059 -1.900) 4.715 4.074 ( -2.765 1.795 4.985) 5.976 4.147 ( -2.407 0.362 4.138) 4.801 4.210 ( -3.283 5.620 5.076) 8.254 4.330 ( -0.692 0.107 5.630) 5.673 4.373 ( 0.220 1.187 5.477) 5.608 4.452 ( -2.682 0.423 -0.444) 2.751 4.576 ( 1.752 1.907 -2.726) 3.760 4.608 ( 3.291 1.256 -0.496) 3.557 4.697 ( -0.708 4.818 -1.467) 5.086 4.816 ( 0.381 0.511 -5.549) 5.586 4.879 ( -3.917 -1.134 -3.809) 5.580 4.913 ( 2.450 0.808 -2.942) 3.913 5.180 ( 3.558 -0.286 0.822) 3.663 5.233 ( 4.520 0.469 1.053) 4.665 5.433 ( -2.041 -1.038 -3.171) 3.911 5.462 ( 0.558 -1.690 -2.783) 3.303 5.557 ( 1.728 0.079 2.047) 2.680 5.736 ( 4.338 0.170 -1.831) 4.712 5.933 ( 3.392 -2.724 -1.519) 4.608 5.999 ( -2.252 -3.907 0.665) 4.559 6.073 ( 0.911 -3.963 -1.316) 4.274 6.294 ( -0.783 -6.962 -5.501) 8.908 6.517 ( -4.617 0.859 0.813) 4.766 6.586 ( -2.465 -1.874 1.128) 3.296 6.671 ( 0.157 -2.822 -2.000) 3.463 6.788 ( -2.128 -3.217 1.375) 4.095 6.898 ( -2.920 -3.489 1.236) 4.714 6.977 ( 0.084 -2.281 -0.130) 2.286 7.049 ( 1.539 -1.309 -0.445) 2.069 7.107 ( 2.785 -0.231 1.774) 3.310 7.238 ( 4.894 1.018 4.435) 6.682 7.298 ( 1.728 0.027 -0.587) 1.825 7.511 ( -2.066 1.283 2.784) 3.697 7.732 ( -5.784 0.104 4.634) 7.412 7.819 ( -6.459 0.663 2.528) 6.967 7.976 ( 3.798 1.970 2.744) 5.083 8.159 ( -2.819 2.517 -0.826) 3.868 8.246 ( 0.718 2.316 -1.272) 2.739 8.318 ( -1.881 -2.762 -1.048) 3.502 8.482 ( 4.269 -1.466 -0.657) 4.562 8.695 ( -5.709 -4.445 -3.426) 8.006 8.861 ( -0.776 -1.538 -0.660) 1.845 8.915 ( -0.404 -1.304 -4.785) 4.976 9.108 ( 7.363 -1.279 -5.804) 9.462 9.403 ( -4.290 -0.239 -6.691) 7.951 10.016 ( 2.708 4.106 3.993) 6.335 10.066 ( 5.683 14.464 -0.085) 15.540 16.340 ( 1.014 -0.419 -0.086) 1.100 16.435 ( -0.449 -1.282 -1.245) 1.842 16.999 ( -0.263 2.834 -0.407) 2.875 17.026 ( -0.527 1.303 -1.162) 1.823 17.200 ( 2.085 1.867 -1.884) 3.373 17.365 ( -2.175 -1.766 0.340) 2.823 17.497 ( 0.196 -0.362 4.445) 4.464 17.520 ( -0.236 0.846 3.347) 3.460 17.633 ( 2.858 2.803 0.447) 4.028 17.763 ( -0.289 3.415 4.981) 6.046 17.862 ( -2.262 2.430 1.922) 3.835 17.926 ( -2.064 4.404 1.768) 5.175 21.216 ( 0.222 -3.259 1.418) 3.562 21.371 ( -3.757 -4.599 1.601) 6.151 21.720 ( -0.393 1.154 0.470) 1.307 21.760 ( -0.511 0.386 -1.350) 1.494 22.065 ( 2.533 0.855 0.776) 2.784 22.159 ( -0.761 0.507 0.785) 1.205 26.219 ( 0.085 -0.465 0.656) 0.809 26.270 ( -0.508 -1.008 -1.164) 1.621 26.517 ( 0.114 0.411 -0.769) 0.879 26.585 ( -1.198 0.905 -0.277) 1.526 26.843 ( 0.639 -1.152 -0.528) 1.420 26.887 ( -0.590 -1.196 -0.634) 1.476 34.043 ( 10.773 3.821 1.747) 11.564 34.146 ( 2.461 1.986 0.515) 3.204 35.409 ( 8.072 4.006 2.885) 9.462 35.748 ( -0.286 14.577 1.016) 14.616 36.494 ( 3.110 -7.242 14.013) 16.077 36.888 ( -6.522 -5.963 11.890) 14.814 37.013 ( 2.103 -1.578 2.634) 3.722 37.253 ( -1.575 1.762 -9.510) 9.799 37.490 ( -0.411 5.285 -12.390) 13.476 37.628 ( 2.189 -0.094 -13.303) 13.482 38.077 ( 0.187 -9.828 -1.178) 9.901 38.798 ( -12.752 -0.003 -18.598) 22.549 ======================= Grid point 77 (33/63) ======================= q-point: ( 0.40 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 13.414 -12.940 -7.715) 20.172 1.562 ( 11.577 -9.335 -10.236) 18.053 1.793 ( -8.742 -12.869 -5.935) 16.651 1.909 ( -12.483 -9.669 -9.002) 18.175 2.285 ( 0.579 -5.820 3.427) 6.779 2.441 ( -2.100 -7.808 -3.004) 8.625 2.535 ( 10.249 -6.873 -0.999) 12.381 2.671 ( -5.652 -7.999 0.582) 9.811 2.785 ( 23.189 -17.348 -14.637) 32.449 3.128 ( 2.248 -2.563 1.399) 3.684 3.217 ( 1.539 -2.640 -2.352) 3.857 3.305 ( -1.729 -2.552 -2.099) 3.730 3.353 ( -1.483 -0.887 2.642) 3.157 3.446 ( -16.890 -7.758 -6.689) 19.753 3.566 ( 6.047 0.262 -0.924) 6.123 3.659 ( -0.245 3.147 0.357) 3.177 3.759 ( -2.353 -0.654 0.253) 2.455 3.866 ( -2.012 -0.644 -1.159) 2.409 3.885 ( 0.660 -1.381 2.259) 2.729 4.035 ( -3.143 -2.928 2.534) 4.987 4.134 ( -0.670 1.311 5.882) 6.063 4.162 ( -0.960 10.920 4.144) 11.719 4.321 ( -0.861 2.242 1.364) 2.762 4.389 ( 0.835 1.811 3.722) 4.223 4.426 ( 0.858 0.157 4.165) 4.255 4.581 ( -4.932 0.832 1.670) 5.273 4.615 ( 1.911 5.004 1.391) 5.534 4.693 ( 0.244 3.067 0.110) 3.078 4.779 ( -0.643 0.824 -6.350) 6.435 4.836 ( -1.349 2.195 -2.896) 3.876 5.048 ( 9.037 -0.553 -5.073) 10.379 5.201 ( -4.840 -2.256 -6.733) 8.594 5.322 ( 4.032 2.323 1.628) 4.929 5.368 ( 0.930 -0.041 1.334) 1.627 5.440 ( -3.567 -0.013 -1.225) 3.771 5.600 ( 0.907 -4.748 0.562) 4.866 5.841 ( 5.719 -1.072 0.518) 5.842 5.925 ( -2.655 -1.024 -1.092) 3.048 6.020 ( 2.304 -4.384 -0.011) 4.952 6.073 ( -0.751 -2.522 0.157) 2.636 6.300 ( 1.885 -4.833 -3.812) 6.438 6.416 ( -5.401 -0.479 -2.943) 6.170 6.562 ( -0.145 -3.645 1.670) 4.012 6.664 ( -0.675 -1.333 -4.095) 4.359 6.768 ( -0.374 -5.343 1.354) 5.525 6.830 ( -2.328 -3.205 -2.159) 4.511 7.018 ( 1.943 -3.607 3.730) 5.541 7.061 ( 0.189 -2.389 1.624) 2.895 7.194 ( 5.697 1.311 -0.905) 5.916 7.274 ( -1.678 1.802 1.056) 2.680 7.335 ( 2.547 0.828 0.723) 2.774 7.453 ( -3.770 0.859 1.936) 4.325 7.656 ( -1.204 -0.535 3.318) 3.570 7.701 ( -5.183 -0.116 1.440) 5.381 8.039 ( 2.770 1.543 4.394) 5.419 8.120 ( -1.530 2.268 1.661) 3.201 8.245 ( -0.497 2.051 -2.808) 3.512 8.305 ( 0.044 -2.546 -1.425) 2.918 8.540 ( 2.622 -2.481 -3.120) 4.771 8.600 ( -4.198 -2.980 -4.265) 6.685 8.852 ( -0.176 -1.642 -0.070) 1.653 8.909 ( -0.292 -1.302 -3.315) 3.573 9.222 ( 4.385 0.038 -6.052) 7.474 9.340 ( -2.516 0.004 -8.936) 9.284 10.075 ( 3.196 6.888 5.986) 9.669 10.120 ( 0.123 10.831 5.037) 11.945 16.358 ( 0.766 -0.704 0.173) 1.055 16.424 ( -0.553 -1.044 -1.755) 2.116 16.995 ( -0.154 2.295 -0.029) 2.300 17.018 ( -0.226 1.285 -1.104) 1.709 17.242 ( 2.110 0.658 -0.925) 2.396 17.320 ( -2.215 -0.659 -1.120) 2.568 17.503 ( 0.351 0.354 3.589) 3.623 17.515 ( -0.284 0.308 4.187) 4.208 17.692 ( 2.982 2.939 2.410) 4.831 17.751 ( -1.101 3.380 3.023) 4.667 17.839 ( 0.011 2.903 2.828) 4.053 17.878 ( -2.651 3.968 1.224) 4.927 21.221 ( 0.232 -3.644 2.015) 4.170 21.316 ( -1.724 -4.942 -1.192) 5.368 21.715 ( -0.120 1.238 0.715) 1.435 21.754 ( -0.130 0.355 -1.231) 1.287 22.106 ( 1.808 1.011 1.074) 2.334 22.140 ( -1.194 0.732 0.756) 1.592 26.221 ( 0.053 -0.383 0.938) 1.015 26.263 ( -0.199 -1.067 -1.071) 1.525 26.529 ( 1.199 0.764 -0.676) 1.574 26.557 ( -1.686 0.928 -0.462) 1.979 26.856 ( 0.754 -1.183 -0.459) 1.476 26.874 ( -0.739 -1.239 -0.634) 1.576 34.166 ( 2.654 3.802 1.850) 4.992 34.202 ( 2.418 3.396 0.473) 4.196 35.559 ( 6.178 11.449 6.801) 14.680 35.734 ( -1.132 15.628 1.484) 15.739 36.586 ( 6.951 -8.409 15.924) 19.303 36.744 ( -8.673 -6.308 12.891) 16.769 37.051 ( 1.590 -1.710 3.149) 3.920 37.213 ( -2.001 1.048 -8.942) 9.223 37.500 ( 0.801 7.204 -12.987) 14.873 37.655 ( 0.694 1.028 -14.568) 14.621 38.084 ( 0.432 -12.498 0.090) 12.506 38.599 ( -6.725 -8.166 -21.055) 23.564 ======================= Grid point 80 (34/63) ======================= q-point: ( 0.00 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 -28.302 0.000) 28.302 0.697 ( 0.000 -32.596 0.000) 32.596 1.133 ( 0.000 -51.918 0.000) 51.918 2.020 ( 0.000 -4.727 0.000) 4.727 2.067 ( 0.000 0.868 -0.000) 0.868 2.297 ( 0.000 -0.896 0.000) 0.896 2.399 ( 0.000 -10.479 0.000) 10.479 2.515 ( 0.000 -6.806 0.000) 6.806 2.713 ( 0.000 -9.189 0.000) 9.189 2.865 ( 0.000 -6.540 0.000) 6.540 3.040 ( 0.000 -6.985 0.000) 6.985 3.160 ( 0.000 3.841 -0.000) 3.841 3.310 ( 0.000 -2.284 0.000) 2.284 3.564 ( 0.000 1.104 -0.000) 1.104 3.620 ( 0.000 9.300 -0.000) 9.300 3.637 ( 0.000 -1.364 0.000) 1.364 4.001 ( 0.000 4.069 -0.000) 4.069 4.009 ( 0.000 1.559 -0.000) 1.559 4.038 ( 0.000 -3.324 0.000) 3.324 4.145 ( 0.000 0.238 -0.000) 0.238 4.278 ( 0.000 0.791 -0.000) 0.791 4.334 ( 0.000 1.519 -0.000) 1.519 4.397 ( 0.000 1.288 -0.000) 1.288 4.469 ( 0.000 2.084 -0.000) 2.084 4.505 ( 0.000 2.650 -0.000) 2.650 4.514 ( 0.000 0.339 -0.000) 0.339 4.561 ( 0.000 1.295 -0.000) 1.295 4.684 ( 0.000 2.656 -0.000) 2.656 4.792 ( 0.000 5.379 -0.000) 5.379 4.831 ( 0.000 -3.428 0.000) 3.428 4.835 ( 0.000 -0.738 0.000) 0.738 5.178 ( 0.000 -0.406 0.000) 0.406 5.284 ( 0.000 -3.874 0.000) 3.874 5.378 ( 0.000 2.303 -0.000) 2.303 5.414 ( 0.000 -5.515 0.000) 5.515 5.562 ( 0.000 4.046 -0.000) 4.046 5.646 ( 0.000 2.522 -0.000) 2.522 5.849 ( 0.000 -2.999 0.000) 2.999 5.986 ( 0.000 -9.444 0.000) 9.444 5.990 ( 0.000 0.033 -0.000) 0.033 6.154 ( 0.000 -7.940 0.000) 7.940 6.590 ( 0.000 2.562 -0.000) 2.562 6.613 ( 0.000 -0.079 0.000) 0.079 6.633 ( 0.000 -3.875 0.000) 3.875 6.832 ( 0.000 -3.950 0.000) 3.950 6.869 ( 0.000 -1.564 0.000) 1.564 7.016 ( 0.000 1.496 -0.000) 1.496 7.059 ( 0.000 0.499 -0.000) 0.499 7.106 ( 0.000 3.109 -0.000) 3.109 7.275 ( 0.000 0.689 -0.000) 0.689 7.320 ( 0.000 0.665 -0.000) 0.665 7.604 ( 0.000 2.791 -0.000) 2.791 7.870 ( 0.000 0.272 -0.000) 0.272 7.914 ( 0.000 0.494 -0.000) 0.494 7.993 ( 0.000 3.974 -0.000) 3.974 8.175 ( 0.000 -0.826 0.000) 0.826 8.188 ( 0.000 -2.012 0.000) 2.012 8.344 ( 0.000 -2.168 0.000) 2.168 8.408 ( 0.000 0.104 -0.000) 0.104 8.705 ( 0.000 -3.229 0.000) 3.229 8.846 ( 0.000 -0.025 0.000) 0.025 8.871 ( 0.000 0.810 -0.000) 0.810 8.932 ( 0.000 -3.320 0.000) 3.320 9.454 ( 0.000 0.555 -0.000) 0.555 9.893 ( 0.000 5.514 -0.000) 5.514 10.043 ( 0.000 0.782 -0.000) 0.782 16.324 ( 0.000 -0.329 0.000) 0.329 16.411 ( 0.000 -1.351 0.000) 1.351 17.015 ( 0.000 2.024 -0.000) 2.024 17.036 ( 0.000 1.076 -0.000) 1.076 17.183 ( 0.000 2.628 -0.000) 2.628 17.362 ( 0.000 -2.864 0.000) 2.864 17.538 ( 0.000 -0.562 0.000) 0.562 17.566 ( 0.000 1.093 -0.000) 1.093 17.639 ( 0.000 2.848 -0.000) 2.848 17.866 ( 0.000 3.731 -0.000) 3.731 17.920 ( 0.000 1.553 -0.000) 1.553 18.009 ( 0.000 3.385 -0.000) 3.385 21.196 ( 0.000 -2.450 0.000) 2.450 21.473 ( 0.000 -0.272 0.000) 0.272 21.735 ( 0.000 0.850 -0.000) 0.850 21.753 ( 0.000 0.034 -0.000) 0.034 22.034 ( 0.000 0.006 -0.000) 0.006 22.181 ( 0.000 0.573 -0.000) 0.573 26.217 ( 0.000 -0.763 0.000) 0.763 26.256 ( 0.000 -0.393 0.000) 0.393 26.515 ( 0.000 0.077 -0.000) 0.077 26.603 ( 0.000 0.810 -0.000) 0.810 26.820 ( 0.000 -0.880 0.000) 0.880 26.875 ( 0.000 -0.937 0.000) 0.937 33.882 ( 0.000 -0.909 0.000) 0.909 34.144 ( 0.000 1.221 -0.000) 1.221 35.315 ( 0.000 -0.905 0.000) 0.905 35.895 ( 0.000 12.568 -0.000) 12.568 36.719 ( 0.000 2.020 -0.000) 2.020 36.888 ( 0.000 -2.278 0.000) 2.278 37.102 ( 0.000 3.654 -0.000) 3.654 37.157 ( 0.000 -2.784 0.000) 2.784 37.340 ( 0.000 -5.410 0.000) 5.410 37.359 ( 0.000 -5.805 0.000) 5.805 38.020 ( 0.000 -5.205 0.000) 5.205 38.722 ( 0.000 -0.622 0.000) 0.622 ======================= Grid point 81 (35/63) ======================= q-point: ( 0.20 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 17.826 -24.004 0.000) 29.900 0.911 ( 19.145 -22.859 0.000) 29.817 1.507 ( 37.768 -34.610 0.000) 51.228 1.950 ( -13.035 -6.345 0.000) 14.497 1.997 ( -9.973 -3.782 0.000) 10.666 2.309 ( 5.622 1.073 -0.000) 5.724 2.403 ( -6.371 -6.522 0.000) 9.118 2.480 ( 1.181 -3.621 0.000) 3.809 2.660 ( -1.737 -6.093 0.000) 6.336 2.961 ( 8.988 -6.238 0.000) 10.941 3.158 ( 5.926 -3.366 0.000) 6.815 3.206 ( 6.140 1.072 -0.000) 6.233 3.370 ( 4.337 -0.954 0.000) 4.441 3.511 ( -2.080 6.413 -0.000) 6.742 3.587 ( -3.968 -5.475 0.000) 6.761 3.717 ( 4.642 6.953 -0.000) 8.361 3.813 ( -16.263 0.078 -0.000) 16.263 3.940 ( -4.333 1.410 -0.000) 4.557 3.996 ( -6.839 -1.601 0.000) 7.024 4.135 ( -7.909 -2.623 0.000) 8.332 4.204 ( 2.722 0.046 -0.000) 2.722 4.306 ( -0.896 2.005 -0.000) 2.196 4.378 ( -3.415 0.640 -0.000) 3.474 4.447 ( -1.600 1.358 -0.000) 2.098 4.469 ( 0.137 5.900 -0.000) 5.901 4.562 ( 4.430 1.852 -0.000) 4.802 4.643 ( 4.138 -2.262 0.000) 4.716 4.693 ( -0.546 2.058 -0.000) 2.129 4.782 ( -1.570 -1.482 0.000) 2.160 4.818 ( 3.956 0.326 -0.000) 3.969 4.929 ( 1.372 8.251 -0.000) 8.364 5.189 ( -0.947 -1.854 0.000) 2.082 5.268 ( 2.457 1.886 -0.000) 3.097 5.355 ( 0.309 -3.376 0.000) 3.390 5.449 ( 1.074 0.728 -0.000) 1.297 5.598 ( 0.366 0.359 -0.000) 0.513 5.727 ( 7.903 1.409 -0.000) 8.027 5.861 ( 1.350 -3.397 0.000) 3.655 5.942 ( -3.020 -3.415 0.000) 4.559 6.012 ( 1.753 -6.217 0.000) 6.459 6.161 ( 1.264 -7.811 0.000) 7.912 6.541 ( -6.930 1.007 -0.000) 7.003 6.581 ( -1.108 0.624 -0.000) 1.272 6.619 ( -1.369 -3.316 0.000) 3.587 6.767 ( -3.020 -3.740 0.000) 4.807 6.857 ( -9.545 -6.799 0.000) 11.719 6.951 ( 4.343 -2.140 0.000) 4.841 7.039 ( 1.970 0.642 -0.000) 2.071 7.153 ( 1.523 1.519 -0.000) 2.151 7.288 ( 1.211 0.823 -0.000) 1.464 7.357 ( 2.483 0.399 -0.000) 2.515 7.571 ( -3.684 2.370 -0.000) 4.381 7.782 ( -6.719 0.200 -0.000) 6.722 7.804 ( -8.585 -3.317 0.000) 9.203 8.031 ( 3.160 3.064 -0.000) 4.401 8.144 ( 0.458 -0.801 0.000) 0.923 8.229 ( 2.485 -0.648 0.000) 2.569 8.299 ( -4.150 -1.040 0.000) 4.279 8.439 ( 1.494 -2.048 0.000) 2.535 8.639 ( -6.125 -2.594 0.000) 6.652 8.848 ( 0.346 0.165 -0.000) 0.384 8.874 ( 0.103 0.571 -0.000) 0.580 9.028 ( 7.950 -2.208 0.000) 8.250 9.271 ( -5.937 -5.435 0.000) 8.049 10.085 ( 4.564 1.939 -0.000) 4.959 10.227 ( 13.156 19.348 -0.000) 23.397 16.334 ( 0.950 -0.476 0.000) 1.063 16.406 ( -0.763 -1.368 0.000) 1.566 17.015 ( 0.013 1.833 -0.000) 1.833 17.027 ( -0.606 0.693 -0.000) 0.921 17.207 ( 2.011 2.598 -0.000) 3.285 17.338 ( -2.318 -2.133 0.000) 3.150 17.538 ( 0.198 -0.335 0.000) 0.389 17.566 ( -0.096 0.817 -0.000) 0.823 17.660 ( 2.862 1.930 -0.000) 3.452 17.862 ( -0.847 3.436 -0.000) 3.539 17.891 ( -1.303 1.455 -0.000) 1.953 17.991 ( -2.189 3.930 -0.000) 4.499 21.199 ( 0.294 -2.681 0.000) 2.697 21.330 ( -8.176 -7.584 0.000) 11.152 21.734 ( 0.047 0.707 -0.000) 0.709 21.746 ( -0.280 0.210 -0.000) 0.350 22.094 ( 3.156 2.400 -0.000) 3.965 22.173 ( -0.744 0.506 -0.000) 0.900 26.221 ( 0.411 -0.725 0.000) 0.834 26.248 ( -0.527 -0.571 0.000) 0.777 26.514 ( 0.394 0.436 -0.000) 0.587 26.592 ( -1.211 0.841 -0.000) 1.474 26.827 ( 0.628 -0.934 0.000) 1.125 26.869 ( -0.557 -0.929 0.000) 1.083 34.151 ( 8.804 7.731 -0.000) 11.717 34.177 ( 6.851 5.471 -0.000) 8.768 35.575 ( 20.495 19.117 -0.000) 28.027 35.904 ( 0.775 13.636 -0.000) 13.658 36.755 ( 3.866 3.732 -0.000) 5.373 36.918 ( 3.309 -2.205 0.000) 3.976 37.036 ( -4.651 3.088 -0.000) 5.583 37.224 ( 3.465 -2.976 0.000) 4.568 37.258 ( -4.505 -4.167 0.000) 6.137 37.400 ( 1.150 -5.751 0.000) 5.865 38.017 ( -0.175 -6.769 0.000) 6.772 38.417 ( -21.988 -19.898 0.000) 29.655 ======================= Grid point 82 (36/63) ======================= q-point: ( 0.40 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 21.726 -15.297 0.000) 26.571 1.267 ( 20.368 -16.387 0.000) 26.142 1.620 ( -18.695 -11.799 0.000) 22.108 1.684 ( -20.974 -9.719 0.000) 23.116 2.248 ( 22.885 -12.588 0.000) 26.119 2.320 ( -0.406 -5.305 0.000) 5.321 2.446 ( 15.963 -3.176 0.000) 16.276 2.538 ( 8.596 -6.504 0.000) 10.780 2.608 ( -3.878 -5.874 0.000) 7.039 3.072 ( -23.644 -7.042 0.000) 24.670 3.153 ( 8.229 -2.394 0.000) 8.570 3.288 ( -8.028 -1.043 0.000) 8.095 3.310 ( 3.410 -1.254 0.000) 3.633 3.393 ( -6.161 0.674 -0.000) 6.198 3.596 ( 9.248 3.819 -0.000) 10.005 3.736 ( 4.233 -0.816 0.000) 4.311 3.758 ( -3.292 4.982 -0.000) 5.971 3.820 ( -7.306 0.504 -0.000) 7.324 3.913 ( 1.500 0.258 -0.000) 1.523 4.008 ( -6.959 -4.343 0.000) 8.203 4.231 ( 2.278 1.147 -0.000) 2.551 4.295 ( -4.302 2.021 -0.000) 4.753 4.358 ( 3.728 4.321 -0.000) 5.707 4.418 ( -2.391 4.106 -0.000) 4.751 4.493 ( 2.855 3.371 -0.000) 4.417 4.575 ( -5.578 -2.318 0.000) 6.040 4.660 ( 4.749 -0.937 0.000) 4.840 4.733 ( -2.800 1.507 -0.000) 3.180 4.773 ( 5.060 4.349 -0.000) 6.673 4.845 ( -2.844 6.020 -0.000) 6.658 4.984 ( 6.184 -0.793 0.000) 6.235 5.105 ( -6.557 -2.068 0.000) 6.875 5.350 ( 4.950 1.564 -0.000) 5.192 5.420 ( -0.037 -2.839 0.000) 2.839 5.441 ( 3.570 3.149 -0.000) 4.761 5.552 ( -5.276 -2.114 0.000) 5.684 5.819 ( 2.131 -3.411 0.000) 4.021 5.850 ( -1.937 -4.003 0.000) 4.447 5.985 ( 5.638 -3.448 0.000) 6.608 6.036 ( 0.050 -4.564 0.000) 4.564 6.222 ( 6.130 -3.333 0.000) 6.977 6.380 ( -9.966 -0.040 0.000) 9.966 6.573 ( 0.411 0.168 -0.000) 0.444 6.592 ( -1.486 -1.480 0.000) 2.097 6.736 ( -0.603 -5.001 0.000) 5.037 6.751 ( -2.746 -6.128 0.000) 6.715 7.022 ( 3.102 -2.458 0.000) 3.958 7.058 ( -0.585 -2.143 0.000) 2.222 7.210 ( 5.150 1.529 -0.000) 5.372 7.292 ( -2.018 0.845 -0.000) 2.188 7.401 ( 2.584 0.863 -0.000) 2.724 7.474 ( -5.885 1.538 -0.000) 6.082 7.680 ( -2.853 -0.846 0.000) 2.975 7.692 ( -3.461 -1.074 0.000) 3.624 8.102 ( 4.419 1.794 -0.000) 4.769 8.170 ( -0.827 1.383 -0.000) 1.612 8.226 ( -0.528 -0.645 0.000) 0.834 8.254 ( -0.911 -0.266 0.000) 0.949 8.464 ( 1.901 -3.569 0.000) 4.044 8.527 ( -5.241 -3.144 0.000) 6.112 8.858 ( 0.721 0.295 -0.000) 0.779 8.871 ( -0.516 0.452 -0.000) 0.685 9.153 ( 5.118 -1.366 0.000) 5.298 9.215 ( -2.221 -2.327 0.000) 3.217 10.195 ( 6.813 5.245 -0.000) 8.598 10.295 ( -2.867 11.443 -0.000) 11.797 16.356 ( 1.435 -0.988 0.000) 1.742 16.384 ( -1.500 -1.368 0.000) 2.030 17.016 ( 0.113 1.451 -0.000) 1.455 17.019 ( -0.303 1.024 -0.000) 1.068 17.247 ( 2.287 1.065 -0.000) 2.523 17.291 ( -2.596 -0.618 0.000) 2.668 17.547 ( 0.675 0.189 -0.000) 0.701 17.559 ( -0.587 0.491 -0.000) 0.766 17.736 ( 4.885 2.248 -0.000) 5.377 17.818 ( -3.709 2.671 -0.000) 4.571 17.899 ( 1.597 3.165 -0.000) 3.545 17.940 ( -2.866 3.880 -0.000) 4.824 21.209 ( 0.914 -3.518 0.000) 3.635 21.238 ( -2.700 -5.437 0.000) 6.071 21.737 ( 0.240 0.646 -0.000) 0.689 21.742 ( -0.256 0.483 -0.000) 0.547 22.133 ( 1.537 1.475 -0.000) 2.131 22.156 ( -1.074 0.798 -0.000) 1.338 26.230 ( 0.541 -0.613 0.000) 0.817 26.239 ( -0.476 -0.520 0.000) 0.705 26.532 ( 1.492 0.937 -0.000) 1.762 26.563 ( -1.784 0.959 -0.000) 2.026 26.840 ( 0.848 -0.979 0.000) 1.295 26.856 ( -0.831 -0.938 0.000) 1.253 34.218 ( 3.191 2.380 -0.000) 3.981 34.258 ( -0.239 5.191 -0.000) 5.197 35.839 ( 8.000 21.243 -0.000) 22.700 35.909 ( -0.908 16.609 -0.000) 16.634 36.846 ( 5.639 5.695 -0.000) 8.015 36.946 ( -5.096 5.191 -0.000) 7.275 37.007 ( 5.980 -2.963 0.000) 6.674 37.130 ( -7.051 -3.332 0.000) 7.799 37.321 ( 4.633 -4.314 0.000) 6.331 37.388 ( -2.407 -5.504 0.000) 6.007 38.029 ( 2.205 -11.884 0.000) 12.087 38.128 ( -9.673 -19.712 0.000) 21.957 ======================= Grid point 95 (37/63) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 0.000 6.909) 6.909 1.838 ( 0.000 0.000 3.076) 3.076 2.155 ( 0.000 0.000 2.891) 2.891 2.351 ( 0.000 0.000 0.503) 0.503 2.407 ( 0.000 0.000 16.097) 16.097 2.587 ( 0.000 0.000 17.065) 17.065 2.843 ( 0.000 -0.000 -11.558) 11.558 2.926 ( 0.000 0.000 11.085) 11.085 2.965 ( 0.000 -0.000 -0.815) 0.815 3.100 ( 0.000 0.000 1.213) 1.213 3.143 ( 0.000 0.000 3.106) 3.106 3.363 ( 0.000 -0.000 -1.413) 1.413 3.368 ( 0.000 0.000 6.912) 6.912 3.522 ( 0.000 -0.000 -0.479) 0.479 3.602 ( 0.000 0.000 5.208) 5.208 3.723 ( 0.000 0.000 0.193) 0.193 3.788 ( 0.000 -0.000 -8.168) 8.168 3.878 ( 0.000 -0.000 -3.231) 3.231 3.908 ( 0.000 -0.000 -1.510) 1.510 3.932 ( 0.000 0.000 0.266) 0.266 3.967 ( 0.000 -0.000 -1.564) 1.564 4.089 ( 0.000 -0.000 -2.198) 2.198 4.146 ( 0.000 0.000 4.720) 4.720 4.284 ( 0.000 -0.000 -3.832) 3.832 4.337 ( 0.000 0.000 27.551) 27.551 4.732 ( 0.000 -0.000 -8.869) 8.869 4.766 ( 0.000 0.000 5.247) 5.247 4.928 ( 0.000 -0.000 -2.054) 2.054 4.958 ( 0.000 -0.000 -3.365) 3.365 4.998 ( 0.000 0.000 7.590) 7.590 5.004 ( 0.000 -0.000 -4.222) 4.222 5.076 ( 0.000 -0.000 -0.873) 0.873 5.356 ( 0.000 0.000 2.356) 2.356 5.433 ( 0.000 -0.000 -7.015) 7.015 5.629 ( 0.000 -0.000 -6.276) 6.276 5.643 ( 0.000 0.000 8.397) 8.397 5.744 ( 0.000 -0.000 -3.635) 3.635 5.954 ( 0.000 0.000 3.180) 3.180 6.027 ( 0.000 -0.000 -1.102) 1.102 6.039 ( 0.000 0.000 4.819) 4.819 6.433 ( 0.000 -0.000 -5.353) 5.353 6.504 ( 0.000 0.000 2.039) 2.039 6.590 ( 0.000 0.000 2.985) 2.985 6.730 ( 0.000 0.000 4.525) 4.525 6.734 ( 0.000 0.000 3.049) 3.049 6.902 ( 0.000 -0.000 -0.221) 0.221 7.035 ( 0.000 -0.000 -0.829) 0.829 7.200 ( 0.000 0.000 5.265) 5.265 7.217 ( 0.000 0.000 1.506) 1.506 7.252 ( 0.000 -0.000 -1.431) 1.431 7.292 ( 0.000 0.000 2.817) 2.817 7.478 ( 0.000 -0.000 -2.390) 2.390 7.480 ( 0.000 -0.000 -5.103) 5.103 7.546 ( 0.000 0.000 5.257) 5.257 7.820 ( 0.000 -0.000 -2.510) 2.510 8.164 ( 0.000 -0.000 -4.883) 4.883 8.227 ( 0.000 -0.000 -6.884) 6.884 8.305 ( 0.000 0.000 0.029) 0.029 8.466 ( 0.000 0.000 3.169) 3.169 8.893 ( 0.000 0.000 6.380) 6.380 9.007 ( 0.000 0.000 3.521) 3.521 9.225 ( 0.000 0.000 1.014) 1.014 9.436 ( 0.000 0.000 4.017) 4.017 9.634 ( 0.000 -0.000 -6.549) 6.549 9.673 ( 0.000 0.000 5.188) 5.188 9.836 ( 0.000 -0.000 -15.852) 15.852 16.339 ( 0.000 0.000 0.327) 0.327 16.511 ( 0.000 0.000 0.570) 0.570 16.992 ( 0.000 -0.000 -1.568) 1.568 17.104 ( 0.000 -0.000 -3.342) 3.342 17.169 ( 0.000 -0.000 -0.198) 0.198 17.255 ( 0.000 0.000 1.685) 1.685 17.321 ( 0.000 0.000 0.102) 0.102 17.434 ( 0.000 -0.000 -1.390) 1.390 17.583 ( 0.000 0.000 2.221) 2.221 17.646 ( 0.000 -0.000 -4.275) 4.275 17.692 ( 0.000 0.000 0.144) 0.144 17.700 ( 0.000 -0.000 -5.792) 5.792 21.251 ( 0.000 0.000 2.471) 2.471 21.271 ( 0.000 0.000 1.710) 1.710 21.733 ( 0.000 -0.000 -0.494) 0.494 21.765 ( 0.000 -0.000 -0.534) 0.534 22.031 ( 0.000 -0.000 -0.005) 0.005 22.125 ( 0.000 -0.000 -0.001) 0.001 26.259 ( 0.000 0.000 0.462) 0.462 26.271 ( 0.000 0.000 0.720) 0.720 26.576 ( 0.000 -0.000 -1.592) 1.592 26.579 ( 0.000 0.000 0.458) 0.458 26.878 ( 0.000 0.000 0.931) 0.931 26.936 ( 0.000 0.000 0.940) 0.940 33.983 ( 0.000 0.000 1.433) 1.433 34.053 ( 0.000 -0.000 -2.858) 2.858 35.291 ( 0.000 -0.000 -0.725) 0.725 35.678 ( 0.000 -0.000 -11.306) 11.306 36.177 ( 0.000 0.000 4.953) 4.953 36.605 ( 0.000 0.000 14.986) 14.986 37.149 ( 0.000 -0.000 -1.113) 1.113 37.177 ( 0.000 -0.000 -1.141) 1.141 37.866 ( 0.000 -0.000 -5.071) 5.071 37.964 ( 0.000 -0.000 -3.618) 3.618 38.646 ( 0.000 0.000 10.785) 10.785 39.135 ( 0.000 -0.000 -11.380) 11.380 ======================= Grid point 96 (38/63) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 4.070 0.000 3.611) 5.441 1.837 ( -0.137 0.000 1.095) 1.103 2.163 ( 1.087 0.000 3.628) 3.788 2.270 ( -3.017 0.000 6.600) 7.257 2.523 ( 5.225 0.000 9.917) 11.209 2.597 ( 1.147 0.000 17.100) 17.138 2.886 ( -4.107 0.000 15.701) 16.229 2.887 ( 2.107 -0.000 -6.636) 6.962 2.945 ( 2.601 -0.000 -2.011) 3.288 3.031 ( -3.387 0.000 0.677) 3.454 3.264 ( 9.416 0.000 0.013) 9.416 3.323 ( -3.519 -0.000 -1.302) 3.752 3.356 ( -1.473 0.000 3.970) 4.235 3.529 ( -5.493 0.000 1.938) 5.825 3.548 ( -2.429 -0.000 -3.251) 4.058 3.730 ( 1.872 -0.000 -1.229) 2.239 3.818 ( -2.453 -0.000 -3.896) 4.603 3.871 ( 1.500 0.000 2.541) 2.950 3.897 ( 5.191 -0.000 -1.077) 5.302 3.957 ( 0.626 -0.000 -3.290) 3.349 4.014 ( -4.062 0.000 0.438) 4.086 4.014 ( 3.007 0.000 1.117) 3.207 4.204 ( 3.706 0.000 1.413) 3.966 4.307 ( 2.385 -0.000 -2.478) 3.440 4.400 ( 4.994 0.000 22.878) 23.417 4.640 ( -8.014 -0.000 -5.850) 9.922 4.734 ( -4.325 0.000 4.743) 6.419 4.848 ( -5.914 0.000 9.752) 11.405 4.914 ( -3.101 -0.000 -3.756) 4.871 4.959 ( 1.130 -0.000 -7.777) 7.858 5.095 ( 6.524 0.000 2.492) 6.983 5.222 ( 9.138 -0.000 -2.157) 9.389 5.384 ( 1.935 -0.000 -1.930) 2.733 5.467 ( 3.919 -0.000 -3.587) 5.312 5.600 ( -2.759 -0.000 -4.574) 5.342 5.629 ( -1.848 0.000 5.097) 5.422 5.693 ( -4.358 -0.000 -1.753) 4.697 5.882 ( -6.079 0.000 2.051) 6.416 6.058 ( 1.950 0.000 0.711) 2.076 6.066 ( 2.303 0.000 3.315) 4.037 6.417 ( -1.420 -0.000 -5.036) 5.233 6.469 ( -3.843 0.000 0.889) 3.944 6.605 ( 2.294 0.000 2.262) 3.222 6.722 ( 0.011 0.000 4.399) 4.399 6.770 ( 2.196 0.000 1.963) 2.945 6.879 ( -1.853 0.000 1.821) 2.598 7.082 ( 3.049 0.000 0.720) 3.132 7.170 ( -2.400 0.000 4.674) 5.254 7.216 ( 1.181 -0.000 -2.284) 2.571 7.279 ( 2.067 -0.000 -1.783) 2.730 7.333 ( 3.341 0.000 5.900) 6.780 7.432 ( -3.435 -0.000 -2.181) 4.069 7.493 ( 1.748 -0.000 -2.997) 3.470 7.580 ( 2.022 0.000 4.704) 5.121 7.830 ( 1.182 -0.000 -2.570) 2.828 8.069 ( -6.619 -0.000 -3.768) 7.617 8.283 ( 2.215 -0.000 -5.540) 5.966 8.305 ( -0.037 -0.000 -0.220) 0.223 8.528 ( 6.688 0.000 0.747) 6.730 8.869 ( -2.497 0.000 3.632) 4.407 9.009 ( 0.082 0.000 5.155) 5.156 9.165 ( -5.428 0.000 2.588) 6.014 9.466 ( 2.735 0.000 1.056) 2.932 9.655 ( 1.943 -0.000 -5.402) 5.741 9.657 ( -1.883 0.000 3.235) 3.743 9.800 ( -3.452 -0.000 -13.428) 13.864 16.358 ( 1.983 0.000 0.230) 1.996 16.496 ( -1.614 0.000 0.462) 1.679 16.999 ( 0.797 -0.000 -1.479) 1.680 17.091 ( -1.413 -0.000 -3.034) 3.347 17.176 ( 0.717 -0.000 -0.097) 0.723 17.242 ( -1.142 0.000 1.859) 2.182 17.338 ( 1.532 -0.000 -0.259) 1.554 17.423 ( -1.068 -0.000 -1.092) 1.527 17.571 ( -0.983 0.000 1.402) 1.712 17.608 ( -2.810 -0.000 -3.376) 4.393 17.712 ( 1.710 -0.000 -0.395) 1.755 17.728 ( 1.734 -0.000 -5.541) 5.806 21.253 ( 0.160 0.000 2.424) 2.429 21.268 ( -0.246 0.000 1.820) 1.836 21.734 ( 0.196 -0.000 -0.482) 0.520 21.760 ( -0.501 -0.000 -0.484) 0.697 22.042 ( 1.135 -0.000 -0.085) 1.138 22.117 ( -0.808 -0.000 -0.043) 0.809 26.256 ( -0.293 0.000 0.516) 0.593 26.266 ( -0.478 0.000 0.688) 0.838 26.572 ( -0.360 -0.000 -1.414) 1.460 26.575 ( -0.364 0.000 0.299) 0.471 26.884 ( 0.628 0.000 0.957) 1.144 26.930 ( -0.616 0.000 0.970) 1.149 34.033 ( 4.691 0.000 0.171) 4.694 34.081 ( 2.708 -0.000 -2.700) 3.824 35.309 ( 2.191 -0.000 -1.304) 2.549 35.622 ( -5.642 -0.000 -9.887) 11.383 36.218 ( 4.197 0.000 5.180) 6.667 36.558 ( -4.934 0.000 13.546) 14.417 37.152 ( 0.303 -0.000 -1.087) 1.128 37.175 ( -0.238 -0.000 -1.087) 1.113 37.873 ( 0.697 -0.000 -4.461) 4.515 37.950 ( -1.430 -0.000 -3.164) 3.472 38.685 ( 4.197 0.000 8.783) 9.735 39.077 ( -6.001 -0.000 -8.734) 10.597 ======================= Grid point 97 (39/63) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 2.214 -0.000 -1.490) 2.669 1.830 ( -0.749 -0.000 -2.034) 2.168 2.198 ( 2.592 0.000 5.026) 5.655 2.240 ( -1.511 0.000 6.259) 6.438 2.581 ( 3.015 0.000 9.980) 10.426 2.618 ( 0.231 0.000 14.942) 14.944 2.813 ( -2.983 0.000 16.988) 17.248 2.826 ( -4.818 0.000 9.985) 11.086 3.059 ( 6.515 -0.000 -0.977) 6.588 3.082 ( 4.195 -0.000 -5.220) 6.697 3.282 ( 0.835 -0.000 -1.111) 1.390 3.327 ( 0.681 -0.000 -3.907) 3.966 3.382 ( -4.367 -0.000 -1.530) 4.627 3.434 ( -7.645 -0.000 -5.900) 9.657 3.485 ( 8.109 -0.000 -0.302) 8.115 3.665 ( -8.944 -0.000 -0.332) 8.950 3.819 ( 2.915 0.000 2.068) 3.574 3.889 ( -4.162 0.000 0.715) 4.223 3.969 ( 4.303 -0.000 -0.115) 4.305 3.978 ( 2.463 -0.000 -1.407) 2.836 4.040 ( 3.819 0.000 1.259) 4.022 4.064 ( 1.735 0.000 1.425) 2.245 4.268 ( 4.608 -0.000 -0.134) 4.610 4.380 ( 5.776 -0.000 -1.328) 5.927 4.395 ( -7.032 0.000 4.365) 8.277 4.508 ( -7.149 0.000 1.169) 7.244 4.673 ( 1.362 0.000 12.305) 12.380 4.746 ( -5.171 0.000 14.765) 15.644 4.921 ( 2.722 -0.000 -3.631) 4.537 4.966 ( -1.120 -0.000 -5.627) 5.737 5.213 ( 6.168 -0.000 -1.350) 6.314 5.300 ( -2.093 -0.000 -5.872) 6.234 5.449 ( 6.429 0.000 1.836) 6.686 5.542 ( 1.907 -0.000 -2.924) 3.491 5.549 ( -2.789 0.000 0.295) 2.805 5.572 ( -3.975 -0.000 -1.938) 4.423 5.655 ( 2.582 0.000 0.254) 2.594 5.759 ( -6.997 0.000 1.755) 7.213 6.090 ( 1.466 0.000 1.168) 1.874 6.099 ( 0.803 0.000 1.402) 1.616 6.393 ( -0.910 -0.000 -3.710) 3.820 6.403 ( -2.391 -0.000 -1.199) 2.675 6.662 ( 3.394 0.000 1.861) 3.871 6.711 ( -1.693 0.000 2.787) 3.261 6.805 ( 1.924 0.000 2.019) 2.789 6.843 ( -2.107 0.000 2.761) 3.473 7.111 ( 0.783 0.000 3.019) 3.119 7.131 ( -1.637 0.000 4.203) 4.510 7.266 ( 3.205 -0.000 -3.913) 5.057 7.302 ( -0.215 -0.000 -3.255) 3.262 7.377 ( 1.009 0.000 5.010) 5.111 7.387 ( -1.101 0.000 1.285) 1.692 7.546 ( 3.696 0.000 0.021) 3.696 7.594 ( -0.906 0.000 4.383) 4.475 7.868 ( 3.242 -0.000 -2.733) 4.240 7.952 ( -5.852 -0.000 -2.972) 6.563 8.301 ( 0.257 -0.000 -2.928) 2.939 8.303 ( -0.111 -0.000 -1.142) 1.147 8.676 ( 8.370 -0.000 -1.807) 8.563 8.802 ( -5.166 -0.000 -0.698) 5.213 9.015 ( 1.136 0.000 6.468) 6.567 9.067 ( -4.576 0.000 4.772) 6.612 9.526 ( 3.826 -0.000 -2.207) 4.417 9.601 ( -4.106 -0.000 -1.711) 4.448 9.694 ( 2.233 -0.000 -4.481) 5.007 9.738 ( -2.865 -0.000 -7.081) 7.639 16.404 ( 2.887 0.000 0.127) 2.890 16.456 ( -2.664 0.000 0.237) 2.675 17.022 ( 1.681 -0.000 -1.540) 2.279 17.057 ( -2.090 -0.000 -2.188) 3.026 17.194 ( 1.237 0.000 0.413) 1.304 17.219 ( -1.379 0.000 1.356) 1.934 17.368 ( 1.703 -0.000 -0.580) 1.799 17.398 ( -1.579 -0.000 -0.727) 1.738 17.558 ( -0.260 -0.000 -0.047) 0.264 17.567 ( -1.373 -0.000 -1.671) 2.163 17.740 ( 1.141 -0.000 -2.149) 2.433 17.748 ( 0.352 -0.000 -4.243) 4.257 21.257 ( 0.289 0.000 2.283) 2.301 21.263 ( -0.341 0.000 2.059) 2.087 21.740 ( 0.422 -0.000 -0.450) 0.617 21.749 ( -0.598 -0.000 -0.434) 0.739 22.068 ( 1.619 -0.000 -0.171) 1.628 22.096 ( -1.427 -0.000 -0.133) 1.433 26.252 ( -0.023 0.000 0.587) 0.587 26.256 ( -0.461 0.000 0.629) 0.780 26.567 ( -0.150 -0.000 -0.885) 0.897 26.568 ( -0.267 -0.000 -0.200) 0.334 26.898 ( 0.930 0.000 0.997) 1.364 26.916 ( -0.927 0.000 1.006) 1.368 34.114 ( 3.120 -0.000 -1.729) 3.567 34.127 ( 1.522 -0.000 -2.434) 2.870 35.377 ( 5.336 -0.000 -3.424) 6.340 35.497 ( -7.406 -0.000 -6.810) 10.061 36.317 ( 6.458 0.000 6.935) 9.476 36.444 ( -7.073 0.000 10.224) 12.432 37.159 ( 0.480 -0.000 -1.035) 1.141 37.168 ( -0.449 -0.000 -1.025) 1.119 37.891 ( 1.302 -0.000 -3.311) 3.557 37.919 ( -1.736 -0.000 -2.751) 3.253 38.792 ( 7.340 0.000 3.792) 8.261 38.940 ( -8.449 -0.000 -2.661) 8.858 ======================= Grid point 100 (40/63) ======================= q-point: ( 0.00 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 -1.105 1.751) 2.071 1.826 ( 0.000 1.287 -2.804) 3.085 2.212 ( 0.000 -4.282 2.426) 4.921 2.378 ( 0.000 2.487 3.144) 4.009 2.559 ( 0.000 -6.380 -13.878) 15.275 2.714 ( 0.000 2.491 12.722) 12.964 2.824 ( 0.000 -9.468 -1.142) 9.537 2.918 ( 0.000 -1.397 11.732) 11.815 3.045 ( 0.000 1.782 2.879) 3.386 3.143 ( 0.000 2.616 1.141) 2.854 3.219 ( 0.000 -9.078 3.882) 9.873 3.396 ( 0.000 7.355 5.471) 9.167 3.454 ( 0.000 -3.514 3.150) 4.719 3.539 ( 0.000 2.517 0.217) 2.527 3.576 ( 0.000 -5.092 -8.542) 9.945 3.711 ( 0.000 -0.271 4.615) 4.623 3.740 ( 0.000 2.952 -0.565) 3.005 3.796 ( 0.000 -1.103 -2.691) 2.909 3.841 ( 0.000 -3.321 -1.444) 3.621 3.941 ( 0.000 0.050 -0.131) 0.140 3.987 ( 0.000 7.502 -0.382) 7.512 4.069 ( 0.000 2.819 -0.851) 2.944 4.301 ( 0.000 1.222 4.055) 4.235 4.364 ( 0.000 0.247 14.148) 14.150 4.569 ( 0.000 -7.011 -4.547) 8.356 4.582 ( 0.000 -0.885 -6.725) 6.783 4.758 ( 0.000 1.703 -6.204) 6.434 4.875 ( 0.000 -3.229 -6.502) 7.260 4.920 ( 0.000 0.012 2.370) 2.370 4.980 ( 0.000 -0.873 0.739) 1.144 5.078 ( 0.000 3.376 -1.634) 3.751 5.150 ( 0.000 0.689 13.245) 13.263 5.287 ( 0.000 -0.763 -8.074) 8.110 5.309 ( 0.000 -3.810 -4.676) 6.032 5.494 ( 0.000 2.994 -6.480) 7.139 5.654 ( 0.000 -0.814 -4.788) 4.856 5.772 ( 0.000 1.273 3.722) 3.934 6.003 ( 0.000 -1.780 -1.516) 2.338 6.010 ( 0.000 0.352 3.215) 3.234 6.131 ( 0.000 1.772 3.311) 3.755 6.352 ( 0.000 2.980 -3.462) 4.568 6.520 ( 0.000 0.639 -0.310) 0.710 6.656 ( 0.000 -0.415 4.033) 4.054 6.764 ( 0.000 -5.166 0.933) 5.249 6.808 ( 0.000 -0.307 4.860) 4.870 6.900 ( 0.000 4.690 -2.554) 5.340 7.019 ( 0.000 0.851 -1.475) 1.702 7.177 ( 0.000 -2.203 -1.338) 2.578 7.229 ( 0.000 -0.388 -0.810) 0.898 7.283 ( 0.000 -0.170 0.086) 0.190 7.300 ( 0.000 -2.096 -0.601) 2.181 7.414 ( 0.000 0.072 1.178) 1.181 7.568 ( 0.000 2.991 7.763) 8.320 7.640 ( 0.000 -1.203 3.918) 4.098 7.790 ( 0.000 -1.092 0.685) 1.289 8.095 ( 0.000 -0.350 -1.912) 1.944 8.097 ( 0.000 3.933 -8.136) 9.037 8.325 ( 0.000 1.105 1.335) 1.732 8.507 ( 0.000 -1.837 2.113) 2.800 8.974 ( 0.000 0.296 1.021) 1.063 9.044 ( 0.000 -3.455 2.210) 4.101 9.202 ( 0.000 0.893 -3.644) 3.752 9.454 ( 0.000 -1.627 -4.001) 4.319 9.544 ( 0.000 0.251 -3.652) 3.660 9.584 ( 0.000 2.110 -8.670) 8.923 9.773 ( 0.000 0.099 5.710) 5.710 16.343 ( 0.000 -0.093 0.197) 0.218 16.510 ( 0.000 -0.353 -0.412) 0.543 16.953 ( 0.000 -0.244 -2.129) 2.143 17.048 ( 0.000 1.064 -2.989) 3.173 17.210 ( 0.000 -0.262 4.324) 4.332 17.292 ( 0.000 0.452 -3.370) 3.400 17.318 ( 0.000 -0.914 5.120) 5.200 17.446 ( 0.000 0.982 1.754) 2.010 17.583 ( 0.000 -3.329 -0.540) 3.373 17.600 ( 0.000 -0.346 -0.192) 0.396 17.666 ( 0.000 4.320 0.185) 4.324 17.707 ( 0.000 1.683 0.423) 1.735 21.272 ( 0.000 -3.096 2.656) 4.079 21.336 ( 0.000 2.667 2.544) 3.686 21.712 ( 0.000 -1.300 -0.594) 1.429 21.765 ( 0.000 1.327 -0.593) 1.454 22.031 ( 0.000 0.001 0.045) 0.045 22.130 ( 0.000 0.014 0.499) 0.499 26.250 ( 0.000 -1.987 0.413) 2.029 26.296 ( 0.000 1.826 0.145) 1.832 26.546 ( 0.000 0.136 -1.685) 1.691 26.582 ( 0.000 0.085 -0.045) 0.096 26.888 ( 0.000 -0.254 0.241) 0.350 26.946 ( 0.000 -0.343 0.291) 0.450 33.997 ( 0.000 -0.595 -1.381) 1.504 34.013 ( 0.000 1.062 0.017) 1.062 35.285 ( 0.000 1.699 -0.624) 1.810 35.527 ( 0.000 -0.060 -5.340) 5.341 36.296 ( 0.000 -1.362 8.364) 8.474 36.870 ( 0.000 -4.043 15.397) 15.919 37.051 ( 0.000 -6.405 -1.389) 6.553 37.233 ( 0.000 10.670 -3.418) 11.204 37.741 ( 0.000 -1.148 -7.399) 7.487 37.855 ( 0.000 2.359 -9.019) 9.323 38.722 ( 0.000 -9.524 -0.076) 9.525 38.957 ( 0.000 7.098 -8.795) 11.301 ======================= Grid point 101 (41/63) ======================= q-point: ( 0.20 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -0.588 -2.189 -0.278) 2.284 1.820 ( -0.610 2.809 -2.451) 3.778 2.225 ( 1.462 -3.975 2.965) 5.170 2.358 ( -1.176 2.707 3.846) 4.848 2.647 ( 7.515 -6.707 -10.875) 14.823 2.716 ( -0.331 -2.801 5.229) 5.941 2.859 ( 3.812 -3.993 3.440) 6.505 2.924 ( 2.263 -0.331 10.254) 10.506 3.022 ( -1.790 -3.343 1.392) 4.039 3.139 ( -0.325 2.416 6.733) 7.161 3.262 ( 2.180 -4.224 0.707) 4.806 3.341 ( -4.952 -1.448 5.040) 7.212 3.400 ( -3.378 1.530 1.754) 4.102 3.506 ( -5.728 -1.676 -2.687) 6.545 3.564 ( -2.413 5.890 0.839) 6.420 3.677 ( 0.720 -0.743 -3.302) 3.460 3.783 ( 4.403 -0.161 0.278) 4.414 3.836 ( 0.385 -1.600 -1.671) 2.346 3.907 ( 5.596 1.317 1.311) 5.897 3.931 ( 1.933 0.712 -0.480) 2.115 4.020 ( 2.230 0.197 0.898) 2.412 4.083 ( 1.406 4.696 1.569) 5.147 4.256 ( -1.587 0.732 3.891) 4.265 4.392 ( 0.582 0.437 8.769) 8.799 4.521 ( -5.683 0.267 -4.333) 7.151 4.597 ( 0.927 -5.212 -4.497) 6.946 4.724 ( -5.077 -4.416 -8.182) 10.593 4.808 ( -0.027 0.998 -4.232) 4.348 4.965 ( -0.651 -1.363 4.236) 4.498 4.991 ( 0.544 2.231 2.334) 3.274 5.104 ( 4.392 -0.211 -0.322) 4.409 5.169 ( 1.195 1.654 1.289) 2.414 5.283 ( 2.006 -6.111 -4.798) 8.024 5.386 ( 5.628 -1.030 -4.818) 7.480 5.502 ( 1.078 6.075 -4.826) 7.833 5.645 ( -0.947 -0.621 -2.298) 2.562 5.735 ( -3.838 1.278 2.479) 4.745 5.920 ( -6.491 1.813 1.468) 6.897 6.043 ( 1.905 -4.469 0.331) 4.870 6.150 ( 1.002 2.443 3.254) 4.191 6.340 ( -0.839 2.023 -2.715) 3.488 6.477 ( -4.564 2.301 -0.939) 5.197 6.645 ( 1.428 -2.141 2.625) 3.676 6.796 ( 0.782 -0.283 3.232) 3.337 6.826 ( 1.571 -0.454 4.122) 4.434 6.903 ( 0.223 1.032 -0.427) 1.139 7.068 ( 4.808 0.015 -2.178) 5.278 7.139 ( -2.226 -1.942 -2.480) 3.857 7.225 ( -1.152 1.186 -1.313) 2.111 7.265 ( -0.674 -0.086 0.676) 0.958 7.362 ( 4.784 -2.896 -0.623) 5.627 7.410 ( -0.368 0.100 1.514) 1.561 7.544 ( -1.506 -0.719 6.231) 6.451 7.678 ( 2.661 0.512 3.359) 4.316 7.800 ( 1.125 -0.121 0.708) 1.335 8.017 ( -4.970 3.135 -3.421) 6.799 8.171 ( 4.387 0.751 -4.909) 6.626 8.321 ( -0.562 1.092 1.071) 1.630 8.539 ( 3.500 -2.046 1.175) 4.221 8.902 ( -6.009 0.083 -0.431) 6.025 9.069 ( 1.047 -3.367 2.253) 4.184 9.174 ( -2.508 2.010 -2.135) 3.859 9.439 ( -0.729 -1.080 -4.965) 5.133 9.534 ( -2.866 -0.517 -8.765) 9.236 9.607 ( 3.536 1.960 -1.510) 4.315 9.766 ( -0.951 0.196 5.025) 5.118 16.360 ( 1.747 -0.181 0.095) 1.759 16.495 ( -1.603 -0.201 -0.406) 1.666 16.960 ( 0.738 -0.493 -2.054) 2.238 17.040 ( -0.777 1.167 -2.818) 3.148 17.215 ( 0.519 -0.545 4.239) 4.305 17.289 ( -0.445 0.483 0.249) 0.703 17.328 ( 1.091 -0.999 2.120) 2.585 17.438 ( -0.783 1.334 1.582) 2.212 17.564 ( -1.534 -2.055 0.292) 2.581 17.599 ( -0.475 -0.495 0.679) 0.965 17.666 ( 0.358 2.633 -1.369) 2.989 17.718 ( 0.711 2.253 -0.270) 2.378 21.272 ( 0.004 -3.092 2.657) 4.077 21.336 ( -0.051 2.647 2.535) 3.666 21.712 ( 0.016 -1.474 -0.618) 1.598 21.761 ( -0.372 1.458 -0.671) 1.648 22.042 ( 1.141 0.017 0.106) 1.146 22.121 ( -0.880 0.029 0.460) 0.994 26.247 ( -0.262 -1.964 0.451) 2.032 26.292 ( -0.455 1.770 0.182) 1.836 26.545 ( -0.057 0.139 -1.591) 1.598 26.575 ( -0.693 0.088 -0.211) 0.730 26.894 ( 0.659 -0.269 0.263) 0.759 26.941 ( -0.578 -0.332 0.299) 0.731 34.029 ( 2.998 -0.495 -1.255) 3.288 34.046 ( 3.189 1.191 -0.527) 3.445 35.296 ( 1.213 1.273 -0.720) 1.900 35.493 ( -3.390 0.439 -4.611) 5.739 36.339 ( 4.636 -1.824 8.675) 10.003 36.800 ( -7.102 -3.393 13.963) 16.029 37.053 ( 0.195 -6.328 -1.114) 6.429 37.235 ( 0.114 10.674 -3.271) 11.165 37.738 ( -0.275 -3.554 -7.432) 8.242 37.867 ( 1.129 4.579 -8.354) 9.593 38.716 ( -0.582 -10.457 -1.159) 10.537 38.948 ( -0.852 7.703 -7.534) 10.808 ======================= Grid point 102 (42/63) ======================= q-point: ( 0.40 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -0.494 -2.097 -2.009) 2.946 1.804 ( -0.860 3.146 -3.156) 4.538 2.256 ( 1.406 -3.688 3.160) 5.056 2.344 ( -0.545 3.213 4.122) 5.254 2.709 ( 2.939 -6.098 2.860) 7.348 2.767 ( -0.211 -3.725 -0.676) 3.792 2.926 ( 4.694 -5.866 0.174) 7.515 2.962 ( 0.520 -4.205 7.289) 8.431 3.063 ( 5.333 1.139 0.903) 5.527 3.149 ( 2.506 0.314 8.322) 8.697 3.196 ( -7.074 -4.782 -0.021) 8.539 3.252 ( -4.218 -3.246 0.076) 5.323 3.374 ( -2.403 4.010 -0.662) 4.722 3.414 ( -4.315 3.304 1.616) 5.670 3.531 ( 4.414 5.153 1.712) 6.998 3.659 ( -5.359 2.077 0.080) 5.748 3.834 ( 1.274 -1.005 -1.055) 1.935 3.861 ( 2.564 0.118 -0.653) 2.648 3.970 ( 1.800 -3.201 3.457) 5.044 4.014 ( 3.412 1.169 0.050) 3.607 4.061 ( 2.129 0.028 3.642) 4.219 4.124 ( 2.394 3.637 1.216) 4.520 4.278 ( 4.220 -0.472 0.182) 4.250 4.382 ( -3.252 0.545 1.291) 3.541 4.405 ( -3.198 2.160 -0.382) 3.878 4.509 ( -8.079 0.429 -2.542) 8.481 4.717 ( 2.893 -9.122 -7.740) 12.308 4.802 ( -1.678 -6.066 -6.250) 8.869 4.952 ( 0.166 2.205 -2.120) 3.064 4.997 ( 0.291 1.019 9.177) 9.239 5.175 ( 1.540 2.435 -3.877) 4.830 5.185 ( 0.874 2.958 0.775) 3.180 5.355 ( 5.276 -7.425 -5.628) 10.707 5.465 ( 0.507 -0.087 -4.965) 4.992 5.529 ( 2.722 3.930 -1.719) 5.080 5.616 ( -4.323 -1.060 0.477) 4.477 5.683 ( 2.157 2.600 2.144) 4.001 5.796 ( -6.515 2.253 1.723) 7.106 6.073 ( 1.096 -3.845 -0.506) 4.030 6.151 ( -0.582 2.723 2.456) 3.713 6.337 ( 0.519 0.161 -1.358) 1.462 6.402 ( -2.769 3.517 -0.268) 4.484 6.690 ( 2.347 -2.006 1.697) 3.523 6.783 ( -1.432 2.402 3.251) 4.288 6.856 ( 1.551 -1.072 3.127) 3.651 6.895 ( -1.033 -0.018 2.694) 2.885 7.107 ( -0.046 -3.201 -0.902) 3.326 7.159 ( 1.413 -1.794 -4.251) 4.826 7.199 ( 0.457 2.148 1.225) 2.515 7.272 ( 0.507 2.419 -2.268) 3.354 7.398 ( -0.230 -1.532 2.054) 2.573 7.425 ( 0.916 -0.032 -0.516) 1.052 7.539 ( 1.003 -8.248 4.249) 9.333 7.710 ( 0.763 1.337 2.307) 2.774 7.835 ( 2.867 2.792 -0.468) 4.029 7.919 ( -5.282 4.096 -2.516) 7.142 8.246 ( 3.321 0.016 -0.857) 3.430 8.303 ( -1.411 1.406 -0.418) 2.035 8.624 ( 5.105 -3.640 -1.194) 6.382 8.785 ( -5.995 1.335 -2.359) 6.579 9.073 ( -0.093 -2.697 1.571) 3.123 9.135 ( -1.398 2.667 0.617) 3.074 9.439 ( 0.728 -0.981 -6.543) 6.656 9.477 ( -2.576 -0.004 -7.660) 8.081 9.675 ( 3.398 0.524 1.427) 3.722 9.736 ( -2.268 0.762 3.490) 4.232 16.401 ( 2.390 -0.621 -0.147) 2.474 16.457 ( -2.310 0.332 -0.321) 2.355 16.976 ( 0.752 -1.270 -1.974) 2.465 17.024 ( -0.774 1.721 -2.512) 3.141 17.227 ( 0.643 -1.568 3.946) 4.295 17.276 ( -0.723 1.379 3.207) 3.565 17.351 ( 1.093 -1.986 0.584) 2.341 17.421 ( -0.874 2.556 1.050) 2.898 17.541 ( -0.687 -2.195 1.239) 2.613 17.588 ( -0.430 1.072 1.146) 1.627 17.678 ( 0.605 0.361 -2.209) 2.319 17.724 ( 0.033 3.030 -1.723) 3.485 21.272 ( 0.003 -3.086 2.659) 4.074 21.335 ( -0.031 2.615 2.518) 3.630 21.713 ( 0.017 -1.825 -0.656) 1.939 21.755 ( -0.227 1.747 -0.788) 1.930 22.069 ( 1.654 0.008 0.230) 1.670 22.099 ( -1.501 0.082 0.363) 1.547 26.243 ( -0.164 -1.939 0.502) 2.010 26.284 ( -0.301 1.696 0.235) 1.739 26.548 ( 0.443 0.132 -1.222) 1.307 26.560 ( -0.864 0.106 -0.665) 1.095 26.909 ( 0.921 -0.331 0.294) 1.021 26.927 ( -0.883 -0.278 0.308) 0.975 34.080 ( 1.886 -0.429 -1.248) 2.302 34.101 ( 2.027 1.503 -1.273) 2.826 35.329 ( 2.211 -0.526 -1.232) 2.585 35.422 ( -3.598 2.333 -3.081) 5.280 36.455 ( 7.542 -3.594 10.189) 13.176 36.643 ( -9.028 -1.400 11.091) 14.369 37.056 ( 0.102 -6.263 -0.860) 6.323 37.236 ( 0.054 10.697 -3.068) 11.129 37.734 ( -0.172 -6.287 -7.425) 9.731 37.885 ( 0.639 7.174 -7.499) 10.397 38.706 ( -0.372 -12.035 -2.961) 12.400 38.934 ( -0.516 8.721 -5.458) 10.301 ======================= Grid point 105 (43/63) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.000 -6.990 -2.342) 7.372 1.789 ( 0.000 1.182 -3.515) 3.709 2.127 ( 0.000 -14.390 0.559) 14.401 2.228 ( 0.000 -6.429 -12.093) 13.696 2.496 ( 0.000 2.757 4.008) 4.865 2.645 ( 0.000 -10.710 -2.570) 11.014 2.907 ( 0.000 3.626 4.980) 6.160 3.033 ( 0.000 -11.159 -0.129) 11.160 3.061 ( 0.000 1.327 0.418) 1.391 3.187 ( 0.000 -4.614 4.123) 6.187 3.223 ( 0.000 2.370 1.990) 3.094 3.391 ( 0.000 -6.438 -4.446) 7.824 3.417 ( 0.000 -3.268 -4.381) 5.466 3.505 ( 0.000 -4.999 -5.491) 7.426 3.555 ( 0.000 -0.381 2.961) 2.985 3.658 ( 0.000 -4.499 -1.582) 4.769 3.790 ( 0.000 1.507 3.825) 4.111 3.836 ( 0.000 -0.257 5.894) 5.900 3.850 ( 0.000 6.309 2.522) 6.795 3.984 ( 0.000 2.116 3.223) 3.855 4.074 ( 0.000 5.922 2.490) 6.424 4.134 ( 0.000 2.072 0.781) 2.215 4.312 ( 0.000 -9.724 -2.639) 10.076 4.422 ( 0.000 1.863 6.774) 7.026 4.430 ( 0.000 -3.970 -5.126) 6.484 4.559 ( 0.000 -2.582 3.415) 4.281 4.684 ( 0.000 2.386 -6.361) 6.794 4.754 ( 0.000 2.670 -5.357) 5.985 4.825 ( 0.000 -1.590 -7.866) 8.026 4.949 ( 0.000 -0.098 -3.257) 3.258 5.061 ( 0.000 2.873 -1.004) 3.043 5.142 ( 0.000 -0.023 -6.773) 6.773 5.183 ( 0.000 -2.941 -3.452) 4.535 5.296 ( 0.000 0.382 -0.708) 0.805 5.567 ( 0.000 1.645 -4.934) 5.201 5.594 ( 0.000 4.438 7.889) 9.051 5.783 ( 0.000 -0.586 -2.634) 2.698 5.918 ( 0.000 -1.939 -3.281) 3.812 6.088 ( 0.000 -1.590 5.540) 5.764 6.158 ( 0.000 -2.074 -0.144) 2.079 6.400 ( 0.000 4.938 2.561) 5.563 6.528 ( 0.000 0.568 0.407) 0.699 6.690 ( 0.000 -3.833 -2.373) 4.507 6.716 ( 0.000 -1.394 3.357) 3.635 6.872 ( 0.000 -0.026 -3.161) 3.161 6.893 ( 0.000 -2.032 5.512) 5.875 6.996 ( 0.000 1.283 -2.265) 2.603 7.155 ( 0.000 -3.440 0.545) 3.482 7.197 ( 0.000 -2.165 -1.835) 2.838 7.197 ( 0.000 -1.768 -3.116) 3.583 7.268 ( 0.000 -0.117 -0.293) 0.315 7.566 ( 0.000 2.913 10.288) 10.692 7.602 ( 0.000 -6.166 -2.527) 6.664 7.734 ( 0.000 3.733 5.444) 6.601 7.840 ( 0.000 0.676 3.579) 3.642 8.054 ( 0.000 8.003 -3.463) 8.720 8.096 ( 0.000 1.878 1.064) 2.159 8.372 ( 0.000 0.996 2.341) 2.544 8.500 ( 0.000 -3.559 0.273) 3.570 8.930 ( 0.000 -1.181 -4.247) 4.408 9.006 ( 0.000 -5.169 -1.286) 5.326 9.137 ( 0.000 0.597 -3.976) 4.021 9.241 ( 0.000 -6.377 -10.105) 11.949 9.490 ( 0.000 0.293 -2.864) 2.879 9.601 ( 0.000 11.136 -2.091) 11.331 9.881 ( 0.000 0.519 5.585) 5.609 16.343 ( 0.000 -0.311 0.021) 0.311 16.493 ( 0.000 -0.827 -0.632) 1.041 16.926 ( 0.000 1.486 -1.378) 2.026 17.016 ( 0.000 1.382 -2.013) 2.442 17.203 ( 0.000 0.313 -4.550) 4.560 17.326 ( 0.000 0.747 5.833) 5.880 17.414 ( 0.000 -1.310 6.575) 6.704 17.496 ( 0.000 2.335 1.190) 2.621 17.544 ( 0.000 -2.959 -0.061) 2.959 17.627 ( 0.000 0.523 2.759) 2.808 17.741 ( 0.000 5.240 1.930) 5.584 17.752 ( 0.000 2.919 1.948) 3.509 21.287 ( 0.000 -3.554 2.729) 4.481 21.403 ( 0.000 0.999 2.541) 2.730 21.695 ( 0.000 -0.280 -0.160) 0.323 21.764 ( 0.000 1.128 -0.964) 1.484 22.032 ( 0.000 0.005 0.067) 0.067 22.141 ( 0.000 0.172 0.652) 0.675 26.238 ( 0.000 -1.588 0.479) 1.659 26.305 ( 0.000 0.796 -0.704) 1.062 26.522 ( 0.000 0.452 -1.281) 1.358 26.581 ( 0.000 0.316 -0.275) 0.419 26.881 ( 0.000 -0.767 -0.376) 0.855 26.939 ( 0.000 -0.844 -0.363) 0.919 33.960 ( 0.000 -0.955 -1.299) 1.613 34.041 ( 0.000 1.994 0.738) 2.126 35.307 ( 0.000 3.607 -0.330) 3.622 35.474 ( 0.000 1.296 -1.129) 1.719 36.436 ( 0.000 -3.582 9.512) 10.164 36.985 ( 0.000 -2.605 -0.577) 2.668 37.057 ( 0.000 -9.134 12.536) 15.510 37.242 ( 0.000 9.770 -8.078) 12.677 37.606 ( 0.000 -1.856 -4.657) 5.013 37.711 ( 0.000 4.996 -10.457) 11.590 38.498 ( 0.000 -10.321 -8.970) 13.674 38.926 ( 0.000 6.433 -5.812) 8.670 ======================= Grid point 106 (44/63) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -1.207 -4.101 -2.382) 4.894 1.803 ( -0.309 0.960 -2.854) 3.027 2.159 ( 4.122 -12.425 -0.394) 13.097 2.348 ( 10.716 -8.468 -8.915) 16.310 2.466 ( -3.003 0.237 2.402) 3.853 2.617 ( -0.842 -7.984 -2.666) 8.460 2.911 ( -6.157 -5.959 1.449) 8.690 2.966 ( 3.607 1.408 0.993) 3.997 3.105 ( -5.115 -4.503 1.648) 7.011 3.137 ( 2.632 -6.574 1.366) 7.212 3.271 ( -1.425 -0.336 0.031) 1.464 3.357 ( 2.537 1.499 1.951) 3.534 3.435 ( -2.660 -2.794 0.270) 3.867 3.516 ( 2.462 -0.020 -1.334) 2.801 3.616 ( 5.220 -3.655 -5.177) 8.210 3.677 ( -2.381 -0.182 2.369) 3.364 3.719 ( 1.826 0.256 3.138) 3.640 3.832 ( 0.284 0.514 3.795) 3.841 3.916 ( 1.962 3.620 -1.312) 4.322 4.007 ( 3.303 0.283 4.785) 5.822 4.102 ( 2.482 3.220 6.096) 7.327 4.138 ( 0.322 0.794 -1.534) 1.757 4.313 ( -0.939 -7.879 -2.115) 8.212 4.352 ( -3.654 -1.642 1.993) 4.474 4.448 ( -0.536 -3.640 -3.771) 5.268 4.543 ( -2.195 -0.597 -0.731) 2.389 4.581 ( -8.957 2.631 0.172) 9.337 4.729 ( 0.244 0.361 -6.122) 6.137 4.882 ( -3.734 1.972 -7.932) 8.986 4.968 ( 2.289 -0.455 -5.196) 5.696 5.007 ( 2.079 -5.678 -3.839) 7.162 5.147 ( 3.309 3.357 -2.415) 5.297 5.254 ( 3.510 0.542 -5.799) 6.800 5.358 ( 4.374 1.490 3.241) 5.644 5.519 ( -1.566 5.989 -4.616) 7.722 5.645 ( -0.114 -1.991 1.603) 2.559 5.751 ( -0.579 1.075 1.664) 2.064 5.940 ( 0.235 0.426 -2.181) 2.235 6.020 ( -3.694 -3.061 4.506) 6.582 6.192 ( 1.641 -1.711 0.453) 2.414 6.389 ( -1.228 3.813 3.120) 5.078 6.491 ( -3.361 1.019 0.062) 3.513 6.654 ( 0.860 -2.899 1.778) 3.508 6.800 ( 2.110 -3.238 -1.362) 4.098 6.858 ( 1.036 -1.860 -0.057) 2.130 6.921 ( 1.622 -0.125 3.449) 3.814 7.021 ( 2.832 0.393 -2.831) 4.024 7.106 ( -3.703 -3.380 1.153) 5.145 7.185 ( 0.237 -0.185 -3.036) 3.051 7.233 ( 2.339 -1.350 -1.922) 3.315 7.317 ( 3.739 -1.499 -0.756) 4.099 7.520 ( -3.948 1.110 5.429) 6.804 7.604 ( -1.128 -3.633 2.823) 4.738 7.689 ( -2.943 0.715 2.237) 3.765 7.870 ( 2.110 2.116 3.530) 4.625 8.023 ( -2.698 7.066 -1.871) 7.791 8.150 ( 4.960 1.939 0.326) 5.336 8.364 ( -0.838 1.002 2.032) 2.416 8.525 ( 2.471 -3.038 0.513) 3.950 8.855 ( -6.513 -1.180 -3.750) 7.608 9.015 ( 0.296 -4.558 -2.501) 5.208 9.133 ( -1.035 -1.453 -3.917) 4.304 9.252 ( 1.787 -2.880 -8.902) 9.525 9.457 ( -3.392 3.115 -4.636) 6.535 9.649 ( 4.664 7.166 0.621) 8.573 9.872 ( -1.158 1.088 5.546) 5.769 16.357 ( 1.431 -0.438 -0.046) 1.497 16.481 ( -1.294 -0.538 -0.605) 1.526 16.931 ( 0.559 1.166 -1.297) 1.832 17.010 ( -0.589 1.480 -2.065) 2.608 17.225 ( 2.238 -0.010 -3.574) 4.217 17.323 ( -0.289 0.255 5.337) 5.351 17.412 ( -0.171 -0.935 6.436) 6.506 17.479 ( -1.445 1.471 0.319) 2.086 17.557 ( 1.034 -1.467 1.355) 2.249 17.623 ( -0.234 0.684 2.557) 2.657 17.716 ( -1.680 3.819 2.100) 4.671 17.756 ( -0.308 3.864 0.940) 3.988 21.288 ( 0.078 -3.538 2.817) 4.523 21.400 ( -0.323 0.772 2.293) 2.441 21.693 ( -0.265 -0.447 -0.238) 0.571 21.759 ( -0.442 1.223 -1.116) 1.714 22.046 ( 1.368 0.099 0.228) 1.390 22.133 ( -0.909 0.202 0.635) 1.127 26.237 ( -0.157 -1.557 0.540) 1.656 26.301 ( -0.416 0.717 -0.624) 1.038 26.521 ( 0.043 0.433 -1.307) 1.377 26.571 ( -0.995 0.319 -0.421) 1.127 26.887 ( 0.665 -0.789 -0.356) 1.092 26.934 ( -0.559 -0.842 -0.360) 1.073 34.004 ( 4.059 -0.083 -0.821) 4.142 34.065 ( 2.375 1.994 0.423) 3.130 35.313 ( 0.724 3.076 0.002) 3.160 35.457 ( -1.729 2.177 -0.878) 2.915 36.478 ( 4.590 -4.055 9.568) 11.360 36.939 ( -6.187 -5.703 4.865) 9.719 37.037 ( -0.733 -4.601 7.092) 8.486 37.247 ( 0.337 9.527 -7.800) 12.317 37.572 ( -2.349 -2.702 -5.784) 6.803 37.750 ( 2.783 5.060 -9.875) 11.440 38.500 ( 0.185 -10.658 -7.545) 13.060 38.907 ( -1.843 5.933 -7.097) 9.432 ======================= Grid point 107 (45/63) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.605 -1.556 -1.206) 2.059 1.773 ( -2.109 0.987 -2.959) 3.766 2.235 ( 2.723 -8.065 0.508) 8.528 2.412 ( -1.860 -2.863 -0.585) 3.464 2.530 ( 7.778 -12.019 -5.143) 15.212 2.639 ( -0.424 -6.033 -4.788) 7.714 2.832 ( 1.052 -9.199 -0.493) 9.272 2.991 ( -5.441 -9.206 0.236) 10.696 3.043 ( 1.619 -2.744 1.426) 3.491 3.165 ( 0.705 1.061 -0.141) 1.282 3.229 ( -1.435 1.870 2.485) 3.425 3.349 ( -3.081 2.014 4.410) 5.744 3.426 ( 1.830 1.735 1.203) 2.794 3.540 ( -1.151 5.699 4.767) 7.518 3.597 ( -1.609 1.958 2.318) 3.434 3.742 ( 4.887 1.329 -1.091) 5.180 3.814 ( 4.566 -1.966 0.643) 5.012 3.847 ( 2.090 -0.944 2.647) 3.502 3.956 ( 2.550 -0.971 -2.125) 3.459 4.033 ( -1.705 -4.244 3.366) 5.679 4.116 ( 0.092 -2.519 -2.749) 3.729 4.178 ( 2.389 1.198 4.212) 4.988 4.258 ( -2.637 -3.328 0.079) 4.246 4.334 ( -2.301 -2.028 -4.713) 5.623 4.380 ( -1.456 -4.288 -4.592) 6.450 4.444 ( -4.297 0.579 -1.542) 4.602 4.559 ( 2.110 -0.703 1.655) 2.772 4.645 ( -7.357 -3.363 -0.754) 8.124 4.850 ( 1.809 3.514 -9.642) 10.421 4.963 ( -1.676 -3.267 -7.808) 8.628 5.137 ( 6.258 2.462 -4.768) 8.244 5.215 ( 4.511 0.704 -0.978) 4.670 5.323 ( 2.532 2.309 -2.965) 4.531 5.364 ( -2.775 2.335 -2.954) 4.678 5.510 ( -1.611 1.690 -4.447) 5.022 5.597 ( -1.319 -0.335 0.361) 1.408 5.783 ( 2.418 1.695 6.075) 6.755 5.879 ( -4.079 2.498 3.842) 6.135 6.027 ( 1.784 -3.728 0.780) 4.205 6.201 ( -0.462 -0.189 0.011) 0.500 6.362 ( -1.086 1.455 2.817) 3.351 6.454 ( -0.552 1.264 2.117) 2.527 6.688 ( 1.662 -4.153 1.899) 4.860 6.792 ( -0.944 -2.209 -2.936) 3.793 6.890 ( 1.003 -2.754 2.494) 3.848 6.937 ( 0.075 -0.968 1.236) 1.571 7.057 ( -0.806 -3.401 0.927) 3.616 7.083 ( 2.028 -0.363 -2.101) 2.943 7.208 ( 2.501 1.446 -2.973) 4.145 7.257 ( -0.664 0.822 -1.250) 1.637 7.384 ( 3.467 -2.411 -1.806) 4.592 7.451 ( -2.881 -0.984 2.722) 4.084 7.551 ( -3.250 -2.025 4.897) 6.216 7.661 ( -0.599 -1.937 -1.837) 2.736 7.907 ( 1.939 3.352 2.576) 4.651 7.971 ( -2.532 6.139 1.382) 6.783 8.241 ( 3.887 0.670 -1.583) 4.250 8.343 ( -1.381 1.511 2.612) 3.319 8.577 ( 2.715 -2.882 0.315) 3.972 8.737 ( -5.132 -0.521 -3.293) 6.120 9.032 ( 1.866 -3.505 -2.683) 4.792 9.092 ( -2.910 -3.484 -4.935) 6.705 9.306 ( 3.722 1.320 -7.020) 8.055 9.383 ( -4.233 3.950 -5.655) 8.093 9.742 ( 4.658 3.519 3.751) 6.939 9.835 ( -2.797 2.834 4.976) 6.373 16.388 ( 1.570 -1.002 -0.172) 1.870 16.452 ( -1.495 0.272 -0.533) 1.611 16.943 ( 0.496 0.482 -1.072) 1.276 16.998 ( -0.518 1.821 -2.252) 2.942 17.273 ( 2.705 -0.750 -0.622) 2.875 17.311 ( -1.297 -0.765 3.026) 3.380 17.408 ( -0.196 -0.115 6.155) 6.159 17.455 ( -0.865 1.644 -0.078) 1.859 17.571 ( 0.379 -0.342 3.361) 3.399 17.621 ( -0.041 1.023 1.974) 2.224 17.696 ( -0.394 2.954 1.746) 3.455 17.743 ( -0.800 3.838 -0.329) 3.934 21.290 ( 0.054 -3.507 2.981) 4.603 21.394 ( -0.207 0.402 1.866) 1.920 21.688 ( -0.169 -0.692 -0.364) 0.800 21.752 ( -0.223 1.412 -1.289) 1.925 22.076 ( 1.756 0.156 0.464) 1.823 22.110 ( -1.507 0.306 0.581) 1.644 26.234 ( -0.113 -1.509 0.621) 1.635 26.294 ( -0.268 0.622 -0.488) 0.834 26.528 ( 0.816 0.394 -1.170) 1.480 26.549 ( -1.333 0.342 -0.791) 1.587 26.902 ( 0.841 -0.882 -0.334) 1.264 26.921 ( -0.794 -0.783 -0.355) 1.170 34.070 ( 2.310 0.873 -0.041) 2.470 34.108 ( 1.641 2.277 -0.262) 2.819 35.330 ( 0.801 1.518 0.843) 1.912 35.424 ( -1.424 4.376 -0.718) 4.658 36.598 ( 8.320 -5.405 10.173) 14.210 36.781 ( -9.852 -5.577 7.815) 13.757 37.035 ( 0.159 -2.367 4.054) 4.697 37.251 ( 0.094 9.260 -8.005) 12.241 37.543 ( -0.793 -4.118 -5.735) 7.105 37.787 ( 1.077 5.639 -10.589) 12.045 38.504 ( 0.161 -11.284 -4.908) 12.306 38.875 ( -1.170 5.225 -9.444) 10.856 ======================= Grid point 110 (46/63) ======================= q-point: ( 0.00 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 -19.204 -7.267) 20.533 1.637 ( 0.000 -14.281 -6.847) 15.838 2.028 ( 0.000 -9.612 4.260) 10.514 2.065 ( 0.000 0.126 -2.922) 2.925 2.456 ( 0.000 -6.331 -3.290) 7.135 2.569 ( 0.000 -8.685 -2.786) 9.121 2.861 ( 0.000 -20.186 -10.959) 22.969 2.880 ( 0.000 -15.342 -0.118) 15.342 3.004 ( 0.000 4.085 1.253) 4.273 3.096 ( 0.000 -6.118 -1.781) 6.372 3.204 ( 0.000 -5.696 -5.207) 7.717 3.289 ( 0.000 -2.493 0.283) 2.509 3.348 ( 0.000 -8.201 3.164) 8.790 3.383 ( 0.000 -0.156 1.187) 1.197 3.527 ( 0.000 -3.326 -0.689) 3.397 3.647 ( 0.000 6.510 -2.693) 7.045 3.902 ( 0.000 -1.602 -0.919) 1.847 3.920 ( 0.000 4.302 3.478) 5.532 3.968 ( 0.000 4.301 3.872) 5.787 4.079 ( 0.000 0.245 6.000) 6.005 4.148 ( 0.000 0.278 5.760) 5.766 4.228 ( 0.000 5.247 7.391) 9.064 4.297 ( 0.000 -0.927 -4.578) 4.671 4.366 ( 0.000 0.152 6.155) 6.157 4.502 ( 0.000 0.074 -5.142) 5.143 4.536 ( 0.000 -0.524 -2.670) 2.721 4.578 ( 0.000 -2.369 1.489) 2.798 4.680 ( 0.000 3.535 -5.351) 6.413 4.731 ( 0.000 0.066 -1.764) 1.765 4.869 ( 0.000 1.930 -6.228) 6.520 5.001 ( 0.000 -1.755 -5.618) 5.886 5.127 ( 0.000 1.504 -1.535) 2.149 5.177 ( 0.000 4.658 4.710) 6.624 5.274 ( 0.000 2.670 -2.081) 3.386 5.520 ( 0.000 2.903 -2.315) 3.713 5.614 ( 0.000 -4.457 -2.812) 5.270 5.696 ( 0.000 -2.647 -4.238) 4.997 5.938 ( 0.000 1.546 2.588) 3.015 6.110 ( 0.000 -6.332 0.050) 6.333 6.150 ( 0.000 -3.272 3.542) 4.822 6.456 ( 0.000 -5.442 -1.460) 5.634 6.498 ( 0.000 2.197 -1.351) 2.579 6.665 ( 0.000 -0.195 1.434) 1.447 6.742 ( 0.000 -2.772 1.732) 3.268 6.825 ( 0.000 -0.141 -0.259) 0.295 6.950 ( 0.000 -1.830 2.230) 2.884 6.975 ( 0.000 -0.637 0.357) 0.730 7.087 ( 0.000 -1.086 -2.635) 2.850 7.134 ( 0.000 -3.790 -1.418) 4.047 7.222 ( 0.000 -2.193 5.578) 5.994 7.268 ( 0.000 0.575 -0.918) 1.084 7.511 ( 0.000 -0.705 -1.369) 1.540 7.773 ( 0.000 2.553 7.597) 8.015 7.838 ( 0.000 3.215 2.679) 4.185 7.895 ( 0.000 0.124 1.819) 1.823 8.104 ( 0.000 6.066 -0.223) 6.070 8.154 ( 0.000 3.829 1.069) 3.976 8.413 ( 0.000 -0.350 1.121) 1.174 8.453 ( 0.000 -3.808 -0.511) 3.842 8.839 ( 0.000 -1.322 -3.421) 3.668 8.917 ( 0.000 -3.461 -2.519) 4.281 9.004 ( 0.000 -6.558 -7.659) 10.083 9.069 ( 0.000 -2.032 -2.600) 3.299 9.450 ( 0.000 0.436 -1.734) 1.788 9.674 ( 0.000 13.087 -4.509) 13.842 9.976 ( 0.000 1.005 3.604) 3.742 16.339 ( 0.000 -0.470 -0.039) 0.472 16.470 ( 0.000 -1.450 -0.554) 1.552 16.931 ( 0.000 3.092 -0.845) 3.206 17.003 ( 0.000 1.366 -0.974) 1.677 17.138 ( 0.000 1.560 -3.132) 3.499 17.422 ( 0.000 -0.605 3.364) 3.418 17.516 ( 0.000 -0.902 4.670) 4.756 17.524 ( 0.000 -1.527 0.946) 1.796 17.529 ( 0.000 3.290 0.005) 3.290 17.705 ( 0.000 2.206 3.864) 4.449 17.823 ( 0.000 3.391 1.534) 3.722 17.834 ( 0.000 5.852 1.621) 6.072 21.291 ( 0.000 -4.026 1.832) 4.423 21.450 ( 0.000 -0.389 2.438) 2.468 21.701 ( 0.000 1.043 0.126) 1.050 21.754 ( 0.000 0.729 -1.096) 1.316 22.033 ( 0.000 0.009 0.049) 0.050 22.156 ( 0.000 0.471 0.474) 0.668 26.236 ( 0.000 -1.131 0.816) 1.394 26.289 ( 0.000 -0.243 -1.286) 1.309 26.510 ( 0.000 0.597 -0.658) 0.889 26.580 ( 0.000 0.576 -0.267) 0.635 26.862 ( 0.000 -1.182 -0.451) 1.265 26.919 ( 0.000 -1.238 -0.487) 1.330 33.930 ( 0.000 -1.412 -0.691) 1.572 34.077 ( 0.000 2.441 0.525) 2.497 35.329 ( 0.000 1.943 -0.606) 2.035 35.518 ( 0.000 6.466 1.124) 6.563 36.566 ( 0.000 -3.294 9.098) 9.676 36.958 ( 0.000 0.815 -2.442) 2.575 37.150 ( 0.000 4.342 -8.762) 9.779 37.157 ( 0.000 -8.531 9.724) 12.936 37.537 ( 0.000 -2.876 -1.310) 3.160 37.576 ( 0.000 2.691 -9.478) 9.852 38.260 ( 0.000 -8.265 -5.130) 9.728 38.842 ( 0.000 2.896 -8.595) 9.069 ======================= Grid point 111 (47/63) ======================= q-point: ( 0.20 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 5.339 -13.064 -4.706) 14.877 1.669 ( 3.051 -11.475 -6.766) 13.666 2.035 ( 1.876 -8.706 1.887) 9.103 2.169 ( 7.543 -6.309 -2.625) 10.178 2.398 ( -4.738 -6.640 -2.339) 8.485 2.566 ( 0.528 -5.490 -0.609) 5.548 2.813 ( -7.281 -13.219 -1.001) 15.125 2.899 ( 3.011 -15.891 -7.806) 17.959 2.975 ( -1.397 -8.049 -3.005) 8.705 3.079 ( 4.063 -1.287 -2.009) 4.711 3.266 ( 3.348 -7.856 -2.636) 8.937 3.308 ( -0.412 -0.973 2.423) 2.644 3.391 ( 2.282 -2.197 -0.888) 3.290 3.430 ( 5.359 -0.781 2.587) 6.002 3.562 ( 3.733 -1.350 -0.181) 3.973 3.677 ( 3.567 3.067 -3.542) 5.889 3.856 ( -3.371 0.636 4.464) 5.630 3.895 ( -4.933 1.571 -0.592) 5.211 3.950 ( 0.712 0.905 0.587) 1.293 4.087 ( 0.029 1.331 7.444) 7.563 4.114 ( -4.520 -1.914 0.071) 4.909 4.224 ( -4.760 -4.370 2.240) 6.839 4.271 ( 2.472 4.290 3.764) 6.220 4.367 ( -1.129 0.415 5.043) 5.184 4.448 ( -5.095 1.056 -0.032) 5.203 4.543 ( 1.116 0.276 -1.019) 1.537 4.561 ( -3.558 1.224 -3.823) 5.364 4.639 ( 0.315 1.523 -2.536) 2.975 4.784 ( 0.336 2.516 -5.148) 5.740 4.872 ( 3.340 0.753 -5.030) 6.085 4.922 ( -7.156 -1.095 -2.003) 7.512 5.151 ( 4.276 1.649 -0.757) 4.645 5.202 ( 5.309 3.466 -1.340) 6.480 5.387 ( 1.839 3.611 -3.488) 5.346 5.496 ( -0.687 4.415 -1.687) 4.776 5.565 ( -1.677 -3.971 -2.660) 5.065 5.771 ( 5.974 -3.576 -0.555) 6.984 5.961 ( 1.284 1.056 1.811) 2.458 6.077 ( -2.334 -3.339 4.062) 5.753 6.158 ( 0.428 -5.120 0.590) 5.172 6.429 ( -2.251 -4.701 -1.624) 5.460 6.477 ( -1.856 0.877 -0.674) 2.161 6.669 ( 0.402 -1.052 1.848) 2.164 6.729 ( -1.633 -4.275 -0.708) 4.630 6.833 ( 1.468 -2.153 0.109) 2.608 6.965 ( -2.267 -2.405 1.980) 3.853 6.986 ( 3.243 0.551 -0.792) 3.383 7.081 ( 1.271 -2.076 -1.177) 2.704 7.141 ( 0.648 -2.839 -0.251) 2.922 7.227 ( 1.207 0.189 3.143) 3.372 7.301 ( 2.093 -0.195 -0.536) 2.169 7.494 ( -2.087 -0.201 -1.610) 2.644 7.721 ( -4.530 0.939 5.227) 6.981 7.772 ( -5.365 2.967 3.689) 7.155 7.945 ( 3.484 1.352 2.528) 4.512 8.077 ( -1.435 5.368 0.403) 5.571 8.191 ( 2.286 2.251 1.139) 3.405 8.375 ( -1.899 -1.922 -1.085) 2.912 8.513 ( 3.927 -1.575 0.735) 4.294 8.767 ( -6.045 -2.302 -3.001) 7.131 8.918 ( -0.292 -3.055 -3.061) 4.335 8.980 ( -1.527 -5.574 -6.028) 8.351 9.130 ( 4.822 -0.652 -3.784) 6.164 9.392 ( -4.622 1.550 -4.913) 6.921 9.761 ( 7.279 11.764 0.084) 13.834 9.978 ( -0.054 2.151 3.780) 4.350 16.351 ( 1.290 -0.584 0.033) 1.416 16.461 ( -0.992 -1.139 -0.624) 1.634 16.936 ( 0.454 2.764 -0.659) 2.878 16.996 ( -0.637 1.484 -1.084) 1.945 17.167 ( 3.032 1.193 -2.782) 4.284 17.394 ( -2.830 -0.869 1.416) 3.282 17.498 ( -0.684 0.896 1.855) 2.171 17.516 ( -0.142 -0.705 5.019) 5.070 17.578 ( 3.203 1.432 0.464) 3.539 17.701 ( -0.451 2.306 3.848) 4.508 17.799 ( -1.962 3.523 1.999) 4.501 17.821 ( -1.596 5.135 0.807) 5.438 21.295 ( 0.448 -4.045 2.101) 4.580 21.431 ( -1.856 -1.357 1.528) 2.760 21.697 ( -0.359 0.942 0.294) 1.050 21.747 ( -0.584 0.839 -1.317) 1.667 22.053 ( 1.830 0.347 0.282) 1.883 22.147 ( -0.887 0.508 0.468) 1.124 26.236 ( 0.003 -1.082 0.908) 1.413 26.285 ( -0.344 -0.329 -1.226) 1.315 26.507 ( -0.047 0.556 -0.751) 0.936 26.569 ( -1.222 0.586 -0.356) 1.401 26.869 ( 0.681 -1.190 -0.420) 1.434 26.914 ( -0.552 -1.252 -0.481) 1.450 33.999 ( 6.259 0.719 0.014) 6.300 34.098 ( 2.032 2.469 0.412) 3.224 35.349 ( 2.079 3.022 0.292) 3.680 35.509 ( -0.913 7.015 1.064) 7.154 36.600 ( 3.783 -3.499 8.620) 10.043 36.947 ( -2.148 -0.362 0.074) 2.180 37.091 ( -2.223 -2.820 -0.481) 3.623 37.194 ( 0.400 -0.230 1.587) 1.653 37.477 ( -3.037 -1.010 -4.386) 5.430 37.615 ( 1.553 1.263 -8.400) 8.635 38.281 ( 2.286 -8.972 -3.867) 10.034 38.786 ( -5.434 1.145 -10.084) 11.512 ======================= Grid point 112 (48/63) ======================= q-point: ( 0.40 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 4.911 -5.053 -1.482) 7.200 1.706 ( -0.341 -4.184 -2.751) 5.019 2.075 ( 2.753 -13.579 -4.473) 14.559 2.184 ( -4.883 -15.688 -7.460) 18.045 2.411 ( 4.646 -6.304 1.414) 7.958 2.565 ( -2.801 -3.653 -1.687) 4.903 2.730 ( 2.744 -11.510 2.097) 12.017 2.868 ( -6.031 -10.683 -0.385) 12.274 3.057 ( 5.658 -3.363 0.861) 6.638 3.169 ( 4.507 1.010 -2.041) 5.050 3.278 ( 1.115 0.937 -1.666) 2.213 3.357 ( -1.066 -4.040 -2.839) 5.051 3.448 ( 7.164 -8.566 -2.729) 11.495 3.489 ( 4.037 -2.151 2.651) 5.287 3.621 ( 1.454 2.805 -0.423) 3.188 3.732 ( -2.365 -3.439 -2.569) 4.901 3.762 ( -6.376 -0.818 -4.932) 8.102 3.827 ( -3.769 -6.749 -2.327) 8.073 3.927 ( -1.104 -0.692 4.105) 4.307 4.040 ( 2.017 -2.847 -1.476) 3.788 4.080 ( -1.660 0.883 6.461) 6.729 4.157 ( -2.290 -2.389 3.859) 5.084 4.291 ( -2.077 1.165 0.161) 2.387 4.330 ( -2.781 1.740 -2.424) 4.079 4.405 ( 3.382 2.979 7.525) 8.771 4.487 ( -2.466 3.624 4.909) 6.581 4.581 ( -0.893 0.270 1.207) 1.526 4.643 ( 0.963 1.543 -2.423) 3.030 4.743 ( -2.873 2.653 -5.634) 6.858 4.807 ( -2.016 0.112 -5.792) 6.134 5.035 ( 9.514 1.752 -6.237) 11.510 5.215 ( -3.217 1.487 -6.124) 7.076 5.263 ( 2.788 2.750 0.188) 3.920 5.346 ( -0.139 1.931 -1.869) 2.691 5.452 ( -3.737 0.469 -0.591) 3.813 5.609 ( 2.987 3.971 -3.086) 5.849 5.878 ( 4.803 -2.830 3.040) 6.350 5.944 ( -2.463 -1.067 2.457) 3.639 6.062 ( 0.366 -0.139 4.615) 4.632 6.158 ( -0.515 -5.542 0.022) 5.566 6.400 ( -0.868 -1.683 -0.373) 1.930 6.453 ( -0.296 -5.158 -0.705) 5.214 6.673 ( -0.003 -4.312 1.129) 4.457 6.700 ( -1.147 -2.863 -2.706) 4.103 6.865 ( 1.794 -4.008 -0.420) 4.412 6.906 ( -3.062 -4.067 -0.239) 5.096 7.059 ( 3.812 0.035 0.009) 3.812 7.106 ( 0.155 -1.188 3.939) 4.118 7.167 ( 1.888 0.205 -1.188) 2.240 7.247 ( 0.200 0.568 0.111) 0.613 7.333 ( 1.848 -0.555 -1.310) 2.333 7.436 ( -3.624 0.532 -1.643) 4.014 7.656 ( -1.688 0.500 3.818) 4.205 7.678 ( -3.873 1.702 2.925) 5.143 8.006 ( 2.863 2.442 4.370) 5.767 8.056 ( -1.118 4.088 2.150) 4.752 8.215 ( 0.399 -0.153 -0.712) 0.830 8.353 ( -0.546 -1.317 -2.391) 2.784 8.575 ( 2.928 -1.334 0.655) 3.284 8.665 ( -4.445 -2.705 -2.289) 5.684 8.915 ( 0.169 -3.749 -3.795) 5.337 8.956 ( -1.061 -3.628 -4.817) 6.122 9.214 ( 3.894 1.095 -4.421) 5.993 9.313 ( -3.736 2.695 -6.301) 7.805 9.883 ( 5.271 8.798 3.971) 10.998 9.963 ( -1.790 5.429 3.824) 6.878 16.379 ( 1.351 -1.053 0.428) 1.766 16.439 ( -1.181 -0.402 -1.009) 1.604 16.946 ( 0.499 2.050 -0.164) 2.116 16.983 ( -0.610 1.888 -1.456) 2.461 17.235 ( 3.907 0.035 -1.674) 4.251 17.331 ( -3.674 -0.378 -1.090) 3.851 17.493 ( 0.004 0.478 3.379) 3.412 17.512 ( -0.186 0.068 4.335) 4.339 17.636 ( 2.880 2.003 2.092) 4.084 17.686 ( -1.283 2.564 2.888) 4.070 17.771 ( -0.744 3.434 2.035) 4.060 17.786 ( -1.717 4.292 0.308) 4.633 21.305 ( 0.458 -4.060 2.932) 5.029 21.398 ( -1.275 -2.680 -0.234) 2.977 21.691 ( -0.170 0.896 0.602) 1.093 21.739 ( -0.237 1.105 -1.556) 1.923 22.089 ( 1.934 0.573 0.546) 2.089 22.125 ( -1.491 0.638 0.425) 1.677 26.236 ( -0.029 -0.993 1.035) 1.434 26.280 ( -0.183 -0.397 -1.100) 1.184 26.515 ( 0.996 0.572 -0.763) 1.379 26.541 ( -1.656 0.595 -0.571) 1.850 26.883 ( 0.818 -1.253 -0.356) 1.538 26.901 ( -0.764 -1.229 -0.500) 1.531 34.096 ( 3.184 2.457 0.895) 4.120 34.134 ( 1.385 2.922 -0.043) 3.234 35.394 ( 2.246 5.083 2.467) 6.080 35.486 ( -1.365 7.927 0.316) 8.050 36.698 ( 6.383 -3.374 6.367) 9.626 36.858 ( -6.628 -3.988 6.567) 10.147 37.098 ( 2.339 -1.413 0.747) 2.833 37.163 ( -3.126 1.476 -2.113) 4.052 37.456 ( 0.160 -1.138 -2.753) 2.984 37.624 ( -0.174 2.059 -11.436) 11.621 38.329 ( 2.138 -10.393 -0.589) 10.627 38.687 ( -3.950 -1.015 -13.661) 14.256 ======================= Grid point 115 (49/63) ======================= q-point: ( 0.00 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 -25.014 0.000) 25.014 1.330 ( 0.000 -26.584 0.000) 26.584 2.029 ( 0.000 -8.136 0.000) 8.136 2.055 ( 0.000 0.793 -0.000) 0.793 2.143 ( 0.000 -31.875 0.000) 31.875 2.381 ( 0.000 -7.142 0.000) 7.142 2.662 ( 0.000 -8.203 0.000) 8.203 2.715 ( 0.000 -16.832 0.000) 16.832 2.972 ( 0.000 -12.384 0.000) 12.384 3.020 ( 0.000 -7.013 0.000) 7.013 3.089 ( 0.000 0.758 -0.000) 0.758 3.243 ( 0.000 -11.210 0.000) 11.210 3.309 ( 0.000 3.348 -0.000) 3.348 3.473 ( 0.000 2.988 -0.000) 2.988 3.502 ( 0.000 0.196 -0.000) 0.196 3.707 ( 0.000 7.915 -0.000) 7.915 3.844 ( 0.000 0.149 -0.000) 0.149 3.956 ( 0.000 2.087 -0.000) 2.087 4.073 ( 0.000 1.593 -0.000) 1.593 4.150 ( 0.000 -0.378 0.000) 0.378 4.257 ( 0.000 1.540 -0.000) 1.540 4.271 ( 0.000 2.712 -0.000) 2.712 4.366 ( 0.000 1.540 -0.000) 1.540 4.379 ( 0.000 6.033 -0.000) 6.033 4.486 ( 0.000 -1.679 0.000) 1.679 4.504 ( 0.000 3.544 -0.000) 3.544 4.557 ( 0.000 -3.129 0.000) 3.129 4.663 ( 0.000 1.216 -0.000) 1.216 4.736 ( 0.000 0.239 -0.000) 0.239 4.804 ( 0.000 2.299 -0.000) 2.299 4.910 ( 0.000 -3.382 0.000) 3.382 5.146 ( 0.000 3.108 -0.000) 3.108 5.276 ( 0.000 5.422 -0.000) 5.422 5.302 ( 0.000 3.785 -0.000) 3.785 5.521 ( 0.000 -5.868 0.000) 5.868 5.556 ( 0.000 3.416 -0.000) 3.416 5.601 ( 0.000 -3.129 0.000) 3.129 5.961 ( 0.000 -1.649 0.000) 1.649 6.026 ( 0.000 -7.816 0.000) 7.816 6.139 ( 0.000 -5.116 0.000) 5.116 6.335 ( 0.000 -8.295 0.000) 8.295 6.519 ( 0.000 2.731 -0.000) 2.731 6.661 ( 0.000 -3.580 0.000) 3.580 6.721 ( 0.000 -3.940 0.000) 3.940 6.859 ( 0.000 3.476 -0.000) 3.476 6.951 ( 0.000 -5.564 0.000) 5.564 6.967 ( 0.000 1.394 -0.000) 1.394 7.056 ( 0.000 0.341 -0.000) 0.341 7.080 ( 0.000 -2.496 0.000) 2.496 7.259 ( 0.000 0.631 -0.000) 0.631 7.299 ( 0.000 1.168 -0.000) 1.168 7.532 ( 0.000 3.623 -0.000) 3.623 7.856 ( 0.000 1.127 -0.000) 1.127 7.910 ( 0.000 3.838 -0.000) 3.838 7.910 ( 0.000 -0.096 0.000) 0.096 8.151 ( 0.000 3.255 -0.000) 3.255 8.189 ( 0.000 2.038 -0.000) 2.038 8.402 ( 0.000 -2.486 0.000) 2.486 8.423 ( 0.000 -1.823 0.000) 1.823 8.788 ( 0.000 -2.935 0.000) 2.935 8.869 ( 0.000 -3.765 0.000) 3.765 8.870 ( 0.000 -1.088 0.000) 1.088 9.011 ( 0.000 -3.691 0.000) 3.691 9.440 ( 0.000 0.659 -0.000) 0.659 9.730 ( 0.000 9.791 -0.000) 9.791 10.022 ( 0.000 1.147 -0.000) 1.147 16.333 ( 0.000 -0.499 0.000) 0.499 16.446 ( 0.000 -1.845 0.000) 1.845 16.956 ( 0.000 3.274 -0.000) 3.274 17.009 ( 0.000 1.435 -0.000) 1.435 17.130 ( 0.000 2.315 -0.000) 2.315 17.424 ( 0.000 -2.831 0.000) 2.831 17.541 ( 0.000 0.913 -0.000) 0.913 17.544 ( 0.000 1.290 -0.000) 1.290 17.574 ( 0.000 1.714 -0.000) 1.714 17.783 ( 0.000 3.810 -0.000) 3.810 17.868 ( 0.000 3.069 -0.000) 3.069 17.912 ( 0.000 5.663 -0.000) 5.663 21.265 ( 0.000 -3.977 0.000) 3.977 21.478 ( 0.000 -0.138 0.000) 0.138 21.713 ( 0.000 1.218 -0.000) 1.218 21.748 ( 0.000 0.424 -0.000) 0.424 22.034 ( 0.000 0.010 -0.000) 0.010 22.167 ( 0.000 0.686 -0.000) 0.686 26.237 ( 0.000 -1.092 0.000) 1.092 26.266 ( 0.000 -0.532 0.000) 0.532 26.510 ( 0.000 0.478 -0.000) 0.478 26.585 ( 0.000 0.812 -0.000) 0.812 26.844 ( 0.000 -1.303 0.000) 1.303 26.900 ( 0.000 -1.373 0.000) 1.373 33.907 ( 0.000 -1.491 0.000) 1.491 34.107 ( 0.000 2.244 -0.000) 2.244 35.332 ( 0.000 -0.130 0.000) 0.130 35.625 ( 0.000 11.194 -0.000) 11.194 36.685 ( 0.000 1.112 -0.000) 1.112 36.903 ( 0.000 1.083 -0.000) 1.083 37.073 ( 0.000 -0.960 0.000) 0.960 37.227 ( 0.000 -3.842 0.000) 3.842 37.440 ( 0.000 -3.287 0.000) 3.287 37.476 ( 0.000 -5.176 0.000) 5.176 38.150 ( 0.000 -6.448 0.000) 6.448 38.739 ( 0.000 -0.846 0.000) 0.846 ======================= Grid point 116 (50/63) ======================= q-point: ( 0.20 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 12.656 -19.600 0.000) 23.331 1.399 ( 7.854 -22.470 0.000) 23.803 2.015 ( -4.869 -3.409 0.000) 5.944 2.090 ( -0.133 -4.325 0.000) 4.327 2.289 ( 14.465 -25.265 0.000) 29.113 2.340 ( 2.035 -11.347 0.000) 11.528 2.604 ( -1.241 -9.714 0.000) 9.793 2.697 ( -8.717 -16.562 0.000) 18.716 2.830 ( -0.949 -9.965 0.000) 10.010 3.091 ( 3.257 0.931 -0.000) 3.387 3.183 ( 3.758 -7.044 0.000) 7.984 3.307 ( 4.603 -5.384 0.000) 7.083 3.374 ( 1.852 4.046 -0.000) 4.450 3.434 ( 5.055 -4.817 0.000) 6.983 3.578 ( 3.818 2.920 -0.000) 4.807 3.708 ( 0.342 7.469 -0.000) 7.476 3.783 ( -8.967 -3.606 0.000) 9.665 3.898 ( -2.712 -1.170 0.000) 2.954 4.018 ( -7.267 0.400 -0.000) 7.278 4.117 ( -6.363 3.625 -0.000) 7.323 4.192 ( 2.017 0.744 -0.000) 2.150 4.263 ( -4.123 -1.180 0.000) 4.288 4.329 ( -1.090 3.142 -0.000) 3.326 4.405 ( -5.423 2.710 -0.000) 6.063 4.447 ( -1.041 0.404 -0.000) 1.116 4.546 ( 5.288 -1.653 0.000) 5.541 4.584 ( 3.554 4.776 -0.000) 5.953 4.633 ( -0.129 2.438 -0.000) 2.442 4.755 ( -1.606 3.564 -0.000) 3.909 4.830 ( 2.854 2.414 -0.000) 3.738 4.878 ( -4.119 -3.380 0.000) 5.328 5.189 ( 0.584 3.022 -0.000) 3.078 5.219 ( 5.888 2.234 -0.000) 6.298 5.366 ( -3.826 2.753 -0.000) 4.714 5.480 ( 1.245 -4.419 0.000) 4.591 5.575 ( 1.429 5.618 -0.000) 5.797 5.719 ( 9.098 -3.380 0.000) 9.705 5.954 ( -0.821 -2.670 0.000) 2.794 6.054 ( 2.904 -8.723 0.000) 9.194 6.118 ( -1.874 -3.618 0.000) 4.074 6.324 ( -0.945 -7.503 0.000) 7.562 6.486 ( -3.639 2.421 -0.000) 4.371 6.649 ( -1.368 -5.758 0.000) 5.919 6.694 ( -2.648 -2.645 0.000) 3.743 6.823 ( -1.077 -1.141 0.000) 1.569 6.947 ( -6.004 -3.832 0.000) 7.123 6.993 ( 2.750 0.600 -0.000) 2.815 7.039 ( 6.078 -2.225 0.000) 6.472 7.121 ( 1.191 -0.034 0.000) 1.192 7.269 ( 0.954 0.840 -0.000) 1.271 7.328 ( 2.103 1.862 -0.000) 2.809 7.507 ( -2.929 3.405 -0.000) 4.491 7.772 ( -5.775 0.487 -0.000) 5.795 7.831 ( -6.997 1.105 -0.000) 7.084 7.983 ( 4.557 1.437 -0.000) 4.778 8.132 ( -0.338 2.853 -0.000) 2.873 8.222 ( 1.684 1.345 -0.000) 2.155 8.325 ( -3.940 -2.379 0.000) 4.603 8.497 ( 3.455 -2.500 0.000) 4.264 8.712 ( -6.167 -3.448 0.000) 7.065 8.862 ( -0.240 -1.640 0.000) 1.658 8.880 ( 0.118 -2.189 0.000) 2.192 9.077 ( 5.643 -2.110 0.000) 6.025 9.337 ( -6.350 -1.050 0.000) 6.436 9.890 ( 11.078 13.356 -0.000) 17.352 10.040 ( 1.724 2.595 -0.000) 3.116 16.346 ( 1.343 -0.598 0.000) 1.470 16.438 ( -0.915 -1.635 0.000) 1.874 16.960 ( 0.456 3.059 -0.000) 3.092 17.002 ( -0.666 1.493 -0.000) 1.635 17.158 ( 2.939 1.981 -0.000) 3.544 17.382 ( -3.789 -1.871 0.000) 4.226 17.538 ( 0.047 1.003 -0.000) 1.004 17.556 ( 0.051 -0.401 0.000) 0.404 17.604 ( 3.417 2.632 -0.000) 4.313 17.781 ( -0.375 3.869 -0.000) 3.887 17.844 ( -2.045 2.732 -0.000) 3.413 17.890 ( -2.258 5.574 -0.000) 6.014 21.272 ( 0.781 -4.111 0.000) 4.185 21.427 ( -4.595 -2.574 0.000) 5.267 21.714 ( 0.078 1.208 -0.000) 1.210 21.738 ( -0.725 0.558 -0.000) 0.915 22.062 ( 2.418 0.823 -0.000) 2.555 22.159 ( -0.847 0.720 -0.000) 1.112 26.240 ( 0.289 -1.028 0.000) 1.067 26.261 ( -0.454 -0.618 0.000) 0.767 26.506 ( -0.112 0.466 -0.000) 0.479 26.572 ( -1.291 0.840 -0.000) 1.540 26.851 ( 0.702 -1.301 0.000) 1.478 26.895 ( -0.556 -1.390 0.000) 1.497 34.019 ( 9.227 2.851 -0.000) 9.658 34.128 ( 2.048 2.385 -0.000) 3.143 35.390 ( 5.873 3.864 -0.000) 7.030 35.621 ( -0.639 11.565 -0.000) 11.583 36.710 ( 2.789 1.089 -0.000) 2.994 36.914 ( 0.348 2.108 -0.000) 2.137 37.044 ( -1.429 -2.977 0.000) 3.303 37.282 ( 4.932 -2.719 0.000) 5.632 37.345 ( -7.288 -3.479 0.000) 8.075 37.504 ( 0.111 -4.041 0.000) 4.042 38.178 ( 3.136 -7.589 0.000) 8.211 38.633 ( -10.169 -5.012 0.000) 11.337 ======================= Grid point 117 (51/63) ======================= q-point: ( 0.40 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 11.208 -11.880 0.000) 16.333 1.579 ( 9.211 -11.872 0.000) 15.026 1.880 ( -7.344 -12.944 0.000) 14.883 1.942 ( -11.631 -14.746 0.000) 18.781 2.396 ( 4.217 -3.814 0.000) 5.686 2.467 ( -3.698 -7.466 0.000) 8.332 2.643 ( 6.437 -11.345 0.000) 13.044 2.767 ( -4.392 -8.907 0.000) 9.931 2.857 ( 25.439 -22.324 0.000) 33.845 3.164 ( 2.234 1.043 -0.000) 2.466 3.214 ( -1.080 -2.913 0.000) 3.107 3.310 ( -2.270 -3.937 0.000) 4.544 3.406 ( -0.943 -1.301 0.000) 1.607 3.502 ( -15.759 -11.870 0.000) 19.730 3.565 ( 5.621 -4.746 0.000) 7.357 3.619 ( 0.452 3.060 -0.000) 3.093 3.721 ( 1.210 6.827 -0.000) 6.934 3.816 ( -10.143 1.220 -0.000) 10.216 3.951 ( 7.961 -4.741 0.000) 9.266 4.100 ( -1.116 0.613 -0.000) 1.273 4.140 ( -4.302 1.851 -0.000) 4.683 4.212 ( -5.124 3.439 -0.000) 6.171 4.273 ( 0.891 2.303 -0.000) 2.469 4.326 ( -3.083 3.522 -0.000) 4.681 4.493 ( 6.105 -0.933 0.000) 6.176 4.612 ( -0.879 2.424 -0.000) 2.578 4.650 ( 2.015 6.298 -0.000) 6.612 4.666 ( 2.117 0.559 -0.000) 2.190 4.678 ( -4.981 0.161 -0.000) 4.983 4.729 ( -3.648 4.901 -0.000) 6.110 4.987 ( 8.705 0.820 -0.000) 8.743 5.145 ( -7.641 -1.207 0.000) 7.736 5.292 ( 4.653 3.589 -0.000) 5.876 5.363 ( -0.597 2.716 -0.000) 2.781 5.498 ( 3.456 -1.513 0.000) 3.772 5.575 ( -2.626 2.661 -0.000) 3.739 5.870 ( 5.947 -2.536 0.000) 6.465 5.931 ( -1.754 -3.588 0.000) 3.994 6.093 ( 1.415 -5.010 0.000) 5.206 6.115 ( 0.730 -4.117 0.000) 4.181 6.323 ( 1.728 -6.463 0.000) 6.690 6.396 ( -5.512 -2.055 0.000) 5.882 6.627 ( -0.200 -5.077 0.000) 5.081 6.649 ( -2.197 -2.993 0.000) 3.713 6.823 ( 0.821 -3.495 0.000) 3.590 6.858 ( -3.281 -4.563 0.000) 5.620 7.063 ( 3.930 -0.626 0.000) 3.979 7.112 ( -0.947 -2.368 0.000) 2.550 7.170 ( 6.864 1.265 -0.000) 6.979 7.269 ( -2.261 1.120 -0.000) 2.523 7.362 ( 2.059 2.424 -0.000) 3.181 7.426 ( -5.132 2.804 -0.000) 5.848 7.693 ( -2.161 -0.214 0.000) 2.172 7.712 ( -4.365 -0.179 0.000) 4.369 8.070 ( 4.706 1.765 -0.000) 5.026 8.130 ( -1.128 3.022 -0.000) 3.225 8.234 ( 0.401 -0.315 0.000) 0.510 8.265 ( -2.702 -1.672 0.000) 3.177 8.547 ( 2.623 -3.682 0.000) 4.521 8.610 ( -4.567 -3.996 0.000) 6.068 8.864 ( 0.467 -1.067 0.000) 1.165 8.875 ( -0.566 -1.496 0.000) 1.600 9.175 ( 4.671 -0.357 0.000) 4.685 9.249 ( -3.896 -0.450 0.000) 3.922 10.034 ( 4.547 11.477 -0.000) 12.345 10.067 ( 0.512 7.005 -0.000) 7.024 16.378 ( 1.993 -0.932 0.000) 2.200 16.413 ( -1.788 -1.300 0.000) 2.210 16.972 ( 0.780 2.500 -0.000) 2.619 16.987 ( -0.898 1.861 -0.000) 2.066 17.226 ( 4.224 0.794 -0.000) 4.298 17.305 ( -4.421 -0.702 0.000) 4.477 17.542 ( 0.371 0.550 -0.000) 0.663 17.550 ( -0.478 0.093 -0.000) 0.487 17.680 ( 4.489 2.778 -0.000) 5.279 17.753 ( -3.068 3.275 -0.000) 4.487 17.822 ( 0.096 3.693 -0.000) 3.694 17.844 ( -2.200 4.953 -0.000) 5.419 21.296 ( 1.947 -4.439 0.000) 4.847 21.347 ( -3.715 -4.443 0.000) 5.792 21.718 ( 0.379 1.172 -0.000) 1.231 21.727 ( -0.566 0.949 -0.000) 1.105 22.104 ( 2.087 1.103 -0.000) 2.361 22.137 ( -1.496 0.887 -0.000) 1.739 26.246 ( 0.344 -0.850 0.000) 0.916 26.253 ( -0.402 -0.696 0.000) 0.804 26.515 ( 1.131 0.706 -0.000) 1.333 26.543 ( -1.792 0.854 -0.000) 1.985 26.866 ( 0.879 -1.350 0.000) 1.610 26.882 ( -0.825 -1.386 0.000) 1.613 34.145 ( 3.735 4.124 -0.000) 5.564 34.164 ( 1.186 3.238 -0.000) 3.448 35.510 ( 6.216 10.164 -0.000) 11.915 35.592 ( -2.813 12.053 -0.000) 12.377 36.783 ( 4.987 1.221 -0.000) 5.135 36.875 ( -4.440 1.923 -0.000) 4.839 37.079 ( 5.120 -3.266 0.000) 6.073 37.202 ( -7.824 -2.774 0.000) 8.301 37.382 ( 5.548 -2.426 0.000) 6.055 37.470 ( -3.692 -2.930 0.000) 4.713 38.269 ( 6.984 -9.652 0.000) 11.914 38.431 ( -10.712 -9.593 0.000) 14.380 ======================= Grid point 140 (52/63) ======================= q-point: ( 0.00 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.000 -0.000 -1.759) 1.759 1.795 ( 0.000 0.000 0.834) 0.834 2.325 ( 0.000 -0.000 -14.142) 14.142 2.339 ( 0.000 0.000 5.671) 5.671 2.407 ( 0.000 0.000 3.641) 3.641 2.855 ( 0.000 0.000 3.497) 3.497 2.873 ( 0.000 -0.000 -1.672) 1.672 2.923 ( 0.000 -0.000 -5.387) 5.387 3.126 ( 0.000 0.000 5.327) 5.327 3.236 ( 0.000 -0.000 -3.697) 3.697 3.249 ( 0.000 0.000 7.048) 7.048 3.477 ( 0.000 -0.000 -0.094) 0.094 3.479 ( 0.000 -0.000 -3.419) 3.419 3.495 ( 0.000 -0.000 -2.034) 2.034 3.577 ( 0.000 0.000 9.959) 9.959 3.695 ( 0.000 -0.000 -2.009) 2.009 3.781 ( 0.000 0.000 0.870) 0.870 3.794 ( 0.000 0.000 2.626) 2.626 3.841 ( 0.000 -0.000 -0.185) 0.185 3.971 ( 0.000 0.000 3.380) 3.380 4.010 ( 0.000 0.000 5.850) 5.850 4.066 ( 0.000 0.000 3.858) 3.858 4.392 ( 0.000 0.000 5.859) 5.859 4.482 ( 0.000 -0.000 -4.577) 4.577 4.535 ( 0.000 -0.000 -9.900) 9.900 4.554 ( 0.000 -0.000 -3.806) 3.806 4.590 ( 0.000 0.000 7.538) 7.538 4.740 ( 0.000 -0.000 -9.407) 9.407 4.864 ( 0.000 -0.000 -7.971) 7.971 4.960 ( 0.000 -0.000 -3.266) 3.266 5.016 ( 0.000 -0.000 -0.955) 0.955 5.140 ( 0.000 -0.000 -7.713) 7.713 5.220 ( 0.000 -0.000 -2.012) 2.012 5.276 ( 0.000 -0.000 -11.354) 11.354 5.540 ( 0.000 0.000 17.693) 17.693 5.549 ( 0.000 -0.000 -6.200) 6.200 5.788 ( 0.000 -0.000 -1.095) 1.095 5.929 ( 0.000 -0.000 -7.196) 7.196 6.105 ( 0.000 0.000 6.154) 6.154 6.211 ( 0.000 0.000 5.492) 5.492 6.317 ( 0.000 0.000 2.049) 2.049 6.519 ( 0.000 0.000 0.540) 0.540 6.729 ( 0.000 0.000 3.491) 3.491 6.750 ( 0.000 -0.000 -7.112) 7.112 6.855 ( 0.000 0.000 2.517) 2.517 6.914 ( 0.000 0.000 6.296) 6.296 6.982 ( 0.000 -0.000 -2.093) 2.093 7.204 ( 0.000 0.000 2.605) 2.605 7.215 ( 0.000 -0.000 -5.857) 5.857 7.217 ( 0.000 -0.000 -0.628) 0.628 7.274 ( 0.000 -0.000 -2.667) 2.667 7.537 ( 0.000 0.000 9.862) 9.862 7.679 ( 0.000 0.000 6.160) 6.160 7.705 ( 0.000 -0.000 -0.797) 0.797 7.833 ( 0.000 0.000 2.871) 2.871 7.932 ( 0.000 -0.000 -4.101) 4.101 8.079 ( 0.000 0.000 0.058) 0.058 8.361 ( 0.000 0.000 2.767) 2.767 8.540 ( 0.000 0.000 0.255) 0.255 8.940 ( 0.000 -0.000 -4.362) 4.362 9.091 ( 0.000 0.000 0.646) 0.646 9.103 ( 0.000 -0.000 -5.952) 5.952 9.391 ( 0.000 -0.000 -8.068) 8.068 9.406 ( 0.000 -0.000 -4.721) 4.721 9.487 ( 0.000 -0.000 -2.718) 2.718 9.875 ( 0.000 0.000 5.354) 5.354 16.347 ( 0.000 0.000 0.082) 0.082 16.503 ( 0.000 -0.000 -0.462) 0.462 16.912 ( 0.000 -0.000 -2.204) 2.204 16.999 ( 0.000 -0.000 -1.736) 1.736 17.200 ( 0.000 -0.000 -5.464) 5.464 17.316 ( 0.000 0.000 6.311) 6.311 17.432 ( 0.000 0.000 6.385) 6.385 17.467 ( 0.000 0.000 0.749) 0.749 17.608 ( 0.000 0.000 0.078) 0.078 17.625 ( 0.000 0.000 2.570) 2.570 17.652 ( 0.000 0.000 1.624) 1.624 17.716 ( 0.000 0.000 1.721) 1.721 21.356 ( 0.000 0.000 2.971) 2.971 21.361 ( 0.000 0.000 3.033) 3.033 21.704 ( 0.000 -0.000 -1.050) 1.050 21.747 ( 0.000 -0.000 -0.513) 0.513 22.032 ( 0.000 0.000 0.065) 0.065 22.140 ( 0.000 0.000 0.543) 0.543 26.272 ( 0.000 0.000 0.288) 0.288 26.280 ( 0.000 -0.000 -0.288) 0.288 26.516 ( 0.000 -0.000 -1.393) 1.393 26.578 ( 0.000 -0.000 -0.313) 0.313 26.889 ( 0.000 -0.000 -0.237) 0.237 26.949 ( 0.000 -0.000 -0.258) 0.258 33.974 ( 0.000 -0.000 -0.987) 0.987 34.015 ( 0.000 0.000 0.421) 0.421 35.261 ( 0.000 -0.000 -0.756) 0.756 35.470 ( 0.000 -0.000 -1.221) 1.221 36.476 ( 0.000 0.000 9.616) 9.616 37.057 ( 0.000 -0.000 -6.497) 6.497 37.093 ( 0.000 -0.000 -0.712) 0.712 37.169 ( 0.000 0.000 13.813) 13.813 37.627 ( 0.000 -0.000 -4.757) 4.757 37.642 ( 0.000 -0.000 -11.761) 11.761 38.645 ( 0.000 -0.000 -14.238) 14.238 38.825 ( 0.000 -0.000 -0.449) 0.449 ======================= Grid point 142 (53/63) ======================= q-point: ( 0.20 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -2.137 -0.000 -2.300) 3.139 1.791 ( -0.911 0.000 0.555) 1.067 2.336 ( 0.897 0.000 2.462) 2.621 2.397 ( -0.719 0.000 3.739) 3.808 2.468 ( 12.551 -0.000 -8.729) 15.288 2.784 ( -4.136 -0.000 -0.979) 4.250 2.899 ( -1.168 -0.000 -5.739) 5.857 2.946 ( 5.390 0.000 2.469) 5.928 3.163 ( 2.555 0.000 0.998) 2.743 3.205 ( -1.347 0.000 6.085) 6.232 3.275 ( -1.198 -0.000 -0.612) 1.345 3.364 ( -7.155 -0.000 -1.429) 7.296 3.482 ( -1.478 -0.000 -2.747) 3.119 3.512 ( -4.670 0.000 1.456) 4.892 3.573 ( 2.084 0.000 11.505) 11.692 3.674 ( 0.008 0.000 1.751) 1.751 3.764 ( 1.705 -0.000 -0.984) 1.969 3.827 ( 1.350 -0.000 -0.407) 1.410 3.875 ( 4.713 -0.000 -0.156) 4.716 4.026 ( 3.668 0.000 4.455) 5.770 4.063 ( 4.988 0.000 4.716) 6.864 4.088 ( 1.937 0.000 3.625) 4.110 4.361 ( -2.150 0.000 6.712) 7.048 4.454 ( -4.342 -0.000 -2.297) 4.912 4.494 ( -4.347 -0.000 -2.893) 5.222 4.527 ( -3.885 -0.000 -6.702) 7.746 4.605 ( 1.727 -0.000 -1.976) 2.625 4.680 ( -1.312 -0.000 -7.737) 7.848 4.888 ( -0.608 -0.000 -9.159) 9.179 4.946 ( -2.301 -0.000 -4.451) 5.011 5.076 ( 6.221 -0.000 -1.198) 6.335 5.138 ( 1.941 -0.000 -5.235) 5.584 5.283 ( 0.634 -0.000 -9.421) 9.442 5.310 ( 7.309 -0.000 -3.757) 8.218 5.406 ( -6.257 0.000 1.525) 6.440 5.679 ( 6.179 0.000 9.099) 10.998 5.729 ( -5.702 -0.000 -2.759) 6.334 5.924 ( -2.204 -0.000 -1.024) 2.430 6.074 ( -1.108 0.000 1.122) 1.577 6.206 ( -0.862 0.000 4.594) 4.674 6.347 ( 2.350 0.000 4.537) 5.109 6.468 ( -4.551 0.000 1.300) 4.733 6.690 ( 1.064 -0.000 -0.710) 1.279 6.849 ( -0.936 0.000 2.047) 2.250 6.865 ( 5.702 -0.000 -1.984) 6.037 6.920 ( 0.631 0.000 5.610) 5.645 7.012 ( 3.564 -0.000 -2.848) 4.562 7.163 ( -2.162 0.000 2.381) 3.216 7.174 ( -2.499 -0.000 -3.101) 3.982 7.246 ( 1.005 -0.000 -2.205) 2.423 7.339 ( 4.984 -0.000 -2.475) 5.565 7.498 ( -3.425 0.000 6.955) 7.752 7.652 ( -2.414 0.000 4.272) 4.907 7.723 ( 0.918 -0.000 -1.050) 1.395 7.845 ( 1.056 0.000 3.865) 4.007 7.897 ( -3.098 -0.000 -2.888) 4.236 8.135 ( 5.430 0.000 0.611) 5.465 8.351 ( -1.206 0.000 2.364) 2.654 8.563 ( 2.432 0.000 0.107) 2.435 8.864 ( -6.764 -0.000 -3.433) 7.585 9.083 ( -1.483 -0.000 -5.245) 5.451 9.124 ( 1.943 0.000 0.453) 1.995 9.355 ( -2.828 -0.000 -5.948) 6.586 9.356 ( -3.205 -0.000 -8.757) 9.325 9.580 ( 7.020 -0.000 -0.758) 7.061 9.860 ( -1.782 0.000 5.134) 5.435 16.362 ( 1.617 -0.000 -0.003) 1.617 16.487 ( -1.657 -0.000 -0.446) 1.716 16.921 ( 1.006 -0.000 -2.154) 2.378 16.991 ( -0.799 -0.000 -1.785) 1.955 17.226 ( 2.654 -0.000 -4.602) 5.313 17.319 ( 0.300 0.000 5.991) 5.999 17.427 ( -0.511 0.000 6.178) 6.200 17.455 ( -1.317 0.000 0.683) 1.483 17.599 ( -0.660 0.000 1.547) 1.682 17.634 ( -1.629 0.000 1.842) 2.459 17.636 ( 1.039 0.000 1.077) 1.497 17.712 ( -0.601 0.000 1.205) 1.347 21.356 ( 0.026 0.000 2.974) 2.975 21.360 ( -0.077 0.000 3.024) 3.025 21.705 ( 0.161 -0.000 -1.104) 1.115 21.739 ( -0.792 -0.000 -0.709) 1.063 22.045 ( 1.292 0.000 0.182) 1.305 22.131 ( -0.945 0.000 0.528) 1.082 26.270 ( -0.214 0.000 0.281) 0.353 26.277 ( -0.315 -0.000 -0.155) 0.351 26.516 ( 0.071 -0.000 -1.392) 1.393 26.568 ( -1.005 -0.000 -0.461) 1.105 26.896 ( 0.696 -0.000 -0.224) 0.731 26.943 ( -0.571 -0.000 -0.250) 0.623 34.008 ( 3.276 -0.000 -0.852) 3.385 34.040 ( 2.339 0.000 0.233) 2.350 35.274 ( 1.491 -0.000 -0.625) 1.617 35.443 ( -2.811 -0.000 -0.969) 2.974 36.523 ( 5.111 0.000 9.477) 10.767 37.021 ( -5.765 -0.000 -0.054) 5.765 37.096 ( 0.296 -0.000 -0.699) 0.759 37.118 ( -2.833 0.000 7.153) 7.693 37.644 ( 1.334 -0.000 -5.124) 5.295 37.645 ( 0.354 -0.000 -11.220) 11.226 38.658 ( 1.361 -0.000 -12.766) 12.839 38.803 ( -2.278 -0.000 -1.656) 2.816 ======================= Grid point 144 (54/63) ======================= q-point: ( 0.40 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.315 -0.000 -1.846) 1.873 1.755 ( -2.593 -0.000 -0.448) 2.632 2.359 ( 1.521 0.000 3.328) 3.659 2.384 ( -0.998 0.000 3.512) 3.651 2.687 ( 7.925 -0.000 -6.861) 10.482 2.741 ( -0.828 -0.000 -3.370) 3.470 2.938 ( 6.803 -0.000 -3.330) 7.574 3.036 ( 2.141 0.000 2.086) 2.990 3.166 ( -2.789 -0.000 -2.656) 3.851 3.177 ( -2.104 0.000 4.379) 4.858 3.222 ( -2.385 -0.000 -0.336) 2.408 3.242 ( -4.769 -0.000 -1.095) 4.894 3.402 ( -3.202 0.000 4.353) 5.404 3.423 ( -3.893 0.000 1.268) 4.094 3.636 ( 3.940 0.000 9.801) 10.564 3.690 ( -0.869 0.000 4.314) 4.401 3.829 ( 3.309 0.000 0.767) 3.397 3.844 ( 1.117 0.000 1.699) 2.033 3.992 ( 6.668 -0.000 -2.365) 7.075 4.061 ( -0.464 0.000 1.736) 1.797 4.126 ( 2.620 0.000 2.935) 3.935 4.153 ( 3.077 0.000 5.322) 6.148 4.323 ( -5.874 -0.000 -4.780) 7.573 4.336 ( -2.191 0.000 3.734) 4.329 4.411 ( -1.878 -0.000 -0.028) 1.878 4.456 ( -4.105 -0.000 -2.257) 4.684 4.654 ( 3.409 -0.000 -6.633) 7.458 4.694 ( 0.306 -0.000 -6.340) 6.347 4.848 ( -1.339 -0.000 -9.132) 9.229 4.884 ( -3.890 -0.000 -7.296) 8.268 5.192 ( 5.157 -0.000 -0.192) 5.161 5.206 ( 3.699 -0.000 -3.858) 5.345 5.290 ( -0.048 -0.000 -8.136) 8.136 5.313 ( -3.365 -0.000 -3.213) 4.652 5.458 ( 7.899 -0.000 -4.119) 8.908 5.602 ( -7.821 -0.000 -3.757) 8.677 5.765 ( 3.756 0.000 8.889) 9.650 5.843 ( -5.160 0.000 4.979) 7.170 6.103 ( 3.401 0.000 0.153) 3.405 6.169 ( -3.238 0.000 2.959) 4.386 6.381 ( 1.286 0.000 5.362) 5.514 6.405 ( -1.943 0.000 3.227) 3.767 6.745 ( 4.132 0.000 0.262) 4.140 6.814 ( -2.976 0.000 1.232) 3.221 6.923 ( 1.285 0.000 0.826) 1.528 6.930 ( 0.286 0.000 3.825) 3.836 7.084 ( 2.518 -0.000 -2.789) 3.757 7.124 ( -2.644 -0.000 -2.192) 3.434 7.174 ( 4.052 0.000 0.792) 4.128 7.244 ( -1.931 -0.000 -1.277) 2.315 7.416 ( 2.533 -0.000 -1.034) 2.735 7.443 ( -1.923 0.000 2.911) 3.488 7.629 ( 1.227 -0.000 -0.776) 1.452 7.694 ( -4.170 -0.000 -4.337) 6.016 7.860 ( 0.383 0.000 4.593) 4.609 7.861 ( -0.343 0.000 2.637) 2.659 8.241 ( 5.342 0.000 0.896) 5.416 8.315 ( -2.853 0.000 1.457) 3.204 8.626 ( 4.529 -0.000 -0.788) 4.598 8.732 ( -7.044 -0.000 -2.254) 7.396 9.080 ( 1.598 -0.000 -3.221) 3.596 9.125 ( -2.099 -0.000 -0.280) 2.117 9.311 ( -0.955 -0.000 -9.015) 9.065 9.318 ( -1.328 -0.000 -7.308) 7.427 9.706 ( 6.484 0.000 2.107) 6.818 9.806 ( -4.315 0.000 4.198) 6.021 16.401 ( 2.496 -0.000 -0.189) 2.503 16.448 ( -2.523 -0.000 -0.359) 2.548 16.945 ( 1.470 -0.000 -2.041) 2.516 16.971 ( -1.356 -0.000 -1.906) 2.339 17.284 ( 3.186 -0.000 -1.674) 3.599 17.320 ( -0.602 0.000 3.709) 3.757 17.416 ( -0.456 0.000 4.989) 5.010 17.425 ( -1.528 0.000 1.637) 2.239 17.593 ( 0.147 0.000 2.152) 2.157 17.606 ( -1.229 0.000 2.089) 2.424 17.661 ( 1.637 0.000 0.401) 1.685 17.692 ( -1.588 0.000 0.537) 1.677 21.357 ( 0.060 0.000 2.986) 2.987 21.358 ( -0.091 0.000 3.005) 3.006 21.711 ( 0.499 -0.000 -1.158) 1.261 21.723 ( -0.867 -0.000 -1.029) 1.346 22.074 ( 1.831 0.000 0.368) 1.868 22.107 ( -1.636 0.000 0.479) 1.705 26.267 ( -0.034 0.000 0.228) 0.231 26.270 ( -0.333 0.000 0.078) 0.342 26.524 ( 0.858 -0.000 -1.220) 1.491 26.545 ( -1.365 -0.000 -0.832) 1.598 26.912 ( 0.968 -0.000 -0.215) 0.991 26.929 ( -0.908 -0.000 -0.230) 0.937 34.066 ( 2.381 -0.000 -0.570) 2.449 34.078 ( 1.127 -0.000 -0.190) 1.143 35.315 ( 2.989 -0.000 -0.426) 3.019 35.379 ( -3.834 -0.000 -0.540) 3.872 36.657 ( 9.402 0.000 9.123) 13.100 36.850 ( -11.167 0.000 8.011) 13.743 37.101 ( 0.138 -0.000 -0.799) 0.811 37.101 ( -0.022 -0.000 -0.464) 0.465 37.654 ( 0.525 -0.000 -9.538) 9.552 37.659 ( 0.163 -0.000 -7.056) 7.058 38.695 ( 2.666 -0.000 -9.099) 9.481 38.750 ( -3.225 -0.000 -4.885) 5.853 ======================= Grid point 150 (55/63) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.000 -0.839 -0.614) 1.039 1.773 ( 0.000 -6.436 -0.863) 6.494 2.093 ( 0.000 -2.650 -7.664) 8.109 2.333 ( 0.000 -14.214 4.136) 14.804 2.521 ( 0.000 2.114 1.689) 2.706 2.703 ( 0.000 -8.970 -3.023) 9.466 2.902 ( 0.000 4.182 0.386) 4.199 2.960 ( 0.000 10.007 -0.979) 10.055 3.133 ( 0.000 -6.577 -0.580) 6.602 3.173 ( 0.000 0.913 -2.574) 2.732 3.285 ( 0.000 -5.835 -2.594) 6.386 3.340 ( 0.000 -1.803 -5.500) 5.788 3.462 ( 0.000 -0.863 -2.295) 2.452 3.491 ( 0.000 -9.492 3.970) 10.289 3.615 ( 0.000 -4.015 -0.029) 4.015 3.722 ( 0.000 -9.455 0.757) 9.485 3.782 ( 0.000 8.729 2.611) 9.111 3.880 ( 0.000 2.768 3.573) 4.520 3.910 ( 0.000 2.982 2.656) 3.993 4.063 ( 0.000 -2.568 4.261) 4.975 4.099 ( 0.000 4.123 7.158) 8.261 4.163 ( 0.000 0.997 3.108) 3.264 4.382 ( 0.000 -4.004 -4.650) 6.136 4.392 ( 0.000 -1.742 2.142) 2.760 4.496 ( 0.000 -0.790 -0.671) 1.037 4.561 ( 0.000 -1.346 -6.562) 6.699 4.572 ( 0.000 3.497 3.275) 4.791 4.614 ( 0.000 2.533 -4.805) 5.431 4.722 ( 0.000 -0.148 -3.851) 3.854 4.864 ( 0.000 -0.697 -6.346) 6.384 5.019 ( 0.000 -0.658 -4.570) 4.618 5.084 ( 0.000 2.117 -8.946) 9.193 5.096 ( 0.000 3.080 5.044) 5.910 5.201 ( 0.000 2.391 -2.437) 3.414 5.459 ( 0.000 1.794 -4.012) 4.395 5.734 ( 0.000 -6.259 1.608) 6.462 5.748 ( 0.000 -1.514 -2.049) 2.548 5.856 ( 0.000 5.268 1.794) 5.565 6.195 ( 0.000 -1.072 3.764) 3.914 6.261 ( 0.000 -7.124 4.086) 8.213 6.420 ( 0.000 5.180 3.793) 6.420 6.520 ( 0.000 0.467 -1.393) 1.469 6.640 ( 0.000 -0.807 -2.971) 3.079 6.777 ( 0.000 -0.737 2.076) 2.203 6.883 ( 0.000 -2.280 1.212) 2.582 6.943 ( 0.000 0.318 -2.159) 2.182 7.017 ( 0.000 -1.172 4.821) 4.961 7.112 ( 0.000 -0.963 -3.946) 4.061 7.203 ( 0.000 -2.411 0.354) 2.437 7.247 ( 0.000 1.477 -0.439) 1.541 7.249 ( 0.000 -0.586 2.374) 2.446 7.575 ( 0.000 -4.022 -6.956) 8.035 7.722 ( 0.000 1.487 8.441) 8.571 7.782 ( 0.000 1.882 3.544) 4.013 7.889 ( 0.000 0.769 2.090) 2.227 7.973 ( 0.000 4.672 2.453) 5.277 8.098 ( 0.000 1.360 1.127) 1.767 8.412 ( 0.000 0.165 2.219) 2.225 8.515 ( 0.000 -1.714 -1.675) 2.397 8.849 ( 0.000 -0.048 -4.521) 4.521 8.985 ( 0.000 -2.297 -4.478) 5.033 9.091 ( 0.000 -0.210 -0.828) 0.854 9.180 ( 0.000 -9.732 -5.719) 11.288 9.414 ( 0.000 11.652 -4.047) 12.335 9.444 ( 0.000 0.095 -1.818) 1.821 9.960 ( 0.000 0.443 3.421) 3.449 16.346 ( 0.000 -0.201 -0.014) 0.201 16.493 ( 0.000 -0.625 -0.246) 0.672 16.885 ( 0.000 1.200 -1.271) 1.748 16.980 ( 0.000 0.651 -0.817) 1.044 17.115 ( 0.000 0.561 -3.629) 3.672 17.420 ( 0.000 0.303 4.279) 4.289 17.472 ( 0.000 1.497 -0.726) 1.664 17.536 ( 0.000 -0.565 4.917) 4.949 17.586 ( 0.000 -3.799 0.455) 3.826 17.678 ( 0.000 0.457 2.707) 2.746 17.713 ( 0.000 5.177 1.131) 5.299 17.764 ( 0.000 1.769 1.955) 2.636 21.373 ( 0.000 -3.602 2.171) 4.205 21.434 ( 0.000 1.903 2.210) 2.917 21.686 ( 0.000 0.310 -0.703) 0.769 21.740 ( 0.000 0.449 -0.609) 0.757 22.033 ( 0.000 0.004 0.047) 0.047 22.148 ( 0.000 0.179 0.320) 0.367 26.262 ( 0.000 -1.253 0.292) 1.287 26.284 ( 0.000 0.683 -0.553) 0.879 26.498 ( 0.000 0.352 -0.767) 0.844 26.573 ( 0.000 0.152 -0.251) 0.293 26.880 ( 0.000 -0.504 -0.354) 0.616 26.939 ( 0.000 -0.532 -0.403) 0.667 33.959 ( 0.000 -1.147 -0.202) 1.165 34.030 ( 0.000 1.674 0.268) 1.695 35.263 ( 0.000 2.474 -0.461) 2.517 35.469 ( 0.000 0.177 0.676) 0.699 36.614 ( 0.000 -1.268 5.989) 6.122 36.930 ( 0.000 1.261 -6.579) 6.698 37.106 ( 0.000 0.493 0.652) 0.817 37.324 ( 0.000 -7.038 6.050) 9.281 37.488 ( 0.000 5.207 -6.409) 8.258 37.583 ( 0.000 -1.213 0.038) 1.214 38.392 ( 0.000 -3.711 -9.469) 10.170 38.797 ( 0.000 1.300 -3.537) 3.769 ======================= Grid point 151 (56/63) ======================= q-point: ( 0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -2.127 -2.161 -1.145) 3.241 1.788 ( -0.449 -2.308 -0.313) 2.372 2.213 ( 9.173 -6.055 -5.551) 12.313 2.391 ( 6.915 -10.630 3.124) 13.060 2.498 ( -2.098 -0.495 1.030) 2.389 2.665 ( -2.880 -8.256 -1.567) 8.883 2.879 ( -1.870 7.419 -1.531) 7.803 2.969 ( 2.235 2.706 -0.936) 3.632 3.127 ( -2.027 -3.718 -2.663) 5.003 3.174 ( 1.208 -5.128 -2.625) 5.886 3.284 ( -1.089 0.529 -0.055) 1.211 3.349 ( -2.764 0.658 -1.137) 3.060 3.422 ( 0.176 -2.254 -1.633) 2.789 3.566 ( 2.735 -7.479 0.071) 7.964 3.608 ( 1.718 -3.268 1.382) 3.943 3.712 ( -1.620 3.026 -0.025) 3.432 3.805 ( 4.470 -3.377 3.889) 6.820 3.863 ( -0.543 1.693 3.467) 3.896 3.945 ( 3.356 2.066 3.530) 5.290 4.058 ( 0.893 -0.568 3.456) 3.614 4.140 ( 0.533 -0.407 2.296) 2.392 4.193 ( 4.098 1.994 5.010) 6.772 4.359 ( -3.464 -4.408 -1.927) 5.928 4.390 ( -0.829 -3.042 -0.228) 3.161 4.437 ( -9.351 -0.845 -3.969) 10.193 4.513 ( 1.132 1.238 1.326) 2.138 4.554 ( -3.074 1.927 -2.297) 4.294 4.600 ( -0.280 2.364 -1.453) 2.789 4.733 ( 0.742 1.230 -6.554) 6.709 4.864 ( -1.223 0.491 -5.149) 5.315 4.974 ( -2.674 -3.894 -6.547) 8.074 5.100 ( 3.695 4.715 -1.748) 6.241 5.153 ( 4.340 -2.397 -1.412) 5.155 5.290 ( 6.647 6.361 -3.251) 9.758 5.381 ( -6.098 3.437 -3.612) 7.877 5.641 ( -6.357 -2.204 -4.174) 7.918 5.853 ( 6.738 -3.514 4.691) 8.931 5.916 ( 4.344 2.435 2.656) 5.644 6.118 ( -5.024 -0.786 3.315) 6.070 6.270 ( -0.955 -4.077 3.878) 5.708 6.445 ( 1.582 0.520 3.646) 4.008 6.500 ( -1.368 0.364 1.161) 1.831 6.638 ( 1.732 0.611 -3.142) 3.640 6.832 ( 1.468 -3.662 0.650) 3.999 6.872 ( 0.999 -0.493 0.040) 1.115 6.966 ( 2.546 0.290 -2.126) 3.329 7.006 ( -0.827 -0.724 3.161) 3.347 7.117 ( 0.261 -0.961 -1.839) 2.091 7.193 ( -0.791 -1.768 1.506) 2.454 7.230 ( 0.464 0.044 1.255) 1.339 7.301 ( 3.065 0.039 -1.293) 3.327 7.529 ( -4.509 -2.114 -5.457) 7.388 7.705 ( -2.414 -0.027 5.424) 5.937 7.727 ( -4.565 1.177 3.278) 5.742 7.916 ( 1.753 0.940 2.857) 3.481 7.953 ( -0.272 5.088 2.174) 5.539 8.162 ( 5.176 0.580 1.522) 5.426 8.392 ( -2.000 -0.117 1.444) 2.470 8.547 ( 3.027 -1.194 -0.743) 3.338 8.794 ( -5.061 -0.460 -3.381) 6.104 8.975 ( -0.764 -1.877 -4.607) 5.033 9.109 ( 0.052 -2.866 -1.497) 3.234 9.156 ( -0.814 -5.131 -5.820) 7.802 9.314 ( -5.486 6.433 -4.826) 9.735 9.588 ( 9.530 4.026 -0.312) 10.350 9.945 ( -1.877 0.867 3.383) 3.965 16.360 ( 1.491 -0.239 -0.026) 1.510 16.479 ( -1.534 -0.469 -0.242) 1.622 16.894 ( 1.014 1.038 -1.202) 1.884 16.971 ( -0.899 0.722 -0.911) 1.469 17.150 ( 3.675 0.406 -3.313) 4.965 17.401 ( -2.272 0.030 1.881) 2.950 17.472 ( 0.253 0.995 1.452) 1.779 17.530 ( -0.718 -0.452 4.794) 4.869 17.596 ( 0.988 -2.577 0.599) 2.824 17.671 ( -0.845 0.747 2.566) 2.803 17.702 ( -0.813 4.488 1.283) 4.738 17.753 ( -1.175 1.600 1.740) 2.640 21.376 ( 0.264 -3.422 2.334) 4.151 21.430 ( -0.440 1.428 2.008) 2.503 21.685 ( -0.070 0.155 -0.700) 0.721 21.729 ( -1.018 0.624 -0.857) 1.470 22.048 ( 1.513 0.091 0.156) 1.524 22.140 ( -0.945 0.190 0.325) 1.017 26.261 ( -0.103 -1.207 0.372) 1.268 26.282 ( -0.230 0.635 -0.534) 0.861 26.497 ( 0.051 0.304 -0.799) 0.856 26.561 ( -1.238 0.156 -0.345) 1.295 26.887 ( 0.706 -0.508 -0.344) 0.935 26.934 ( -0.551 -0.532 -0.394) 0.861 33.999 ( 3.835 -0.387 -0.033) 3.854 34.053 ( 2.144 1.494 0.267) 2.627 35.279 ( 1.717 2.354 -0.234) 2.923 35.446 ( -2.392 0.649 0.677) 2.569 36.652 ( 4.136 -1.416 5.329) 6.892 36.928 ( -0.581 1.222 -5.832) 5.987 37.108 ( 0.133 -0.268 0.874) 0.924 37.270 ( -5.605 -3.801 7.953) 10.445 37.472 ( -0.060 1.409 -7.133) 7.271 37.595 ( 0.124 0.323 -1.656) 1.692 38.425 ( 3.461 -4.061 -8.340) 9.901 38.757 ( -4.090 1.151 -4.401) 6.118 ======================= Grid point 152 (57/63) ======================= q-point: ( 0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 1.533 -0.790 -0.375) 1.765 1.752 ( -3.100 -0.739 0.016) 3.187 2.327 ( 3.759 -8.828 -0.907) 9.638 2.428 ( -2.887 -3.655 -0.976) 4.758 2.571 ( 6.771 -7.607 -1.681) 10.322 2.629 ( -1.113 -4.885 -1.640) 5.272 2.904 ( 5.185 0.511 0.283) 5.218 3.038 ( 4.911 1.199 -1.836) 5.379 3.077 ( -4.961 -7.230 -2.248) 9.052 3.144 ( -2.971 -1.996 -0.995) 3.715 3.231 ( -4.329 2.342 0.870) 4.998 3.310 ( -0.668 2.896 -0.535) 3.020 3.419 ( 1.133 3.961 0.843) 4.205 3.533 ( -5.212 8.545 0.980) 10.057 3.663 ( 3.694 -9.081 1.537) 9.924 3.759 ( 3.791 -3.539 0.710) 5.234 3.873 ( 3.832 -0.149 0.725) 3.903 3.929 ( 6.343 -2.709 4.593) 8.287 4.015 ( 1.857 -1.071 6.570) 6.911 4.050 ( -3.616 -1.930 0.731) 4.163 4.113 ( -1.532 -2.455 -3.107) 4.246 4.195 ( -7.766 -0.093 -4.236) 8.847 4.279 ( 3.832 -0.298 4.421) 5.858 4.359 ( -3.087 -2.917 1.566) 4.526 4.378 ( 1.503 -3.955 -1.699) 4.560 4.456 ( -5.118 0.842 0.775) 5.244 4.572 ( 2.962 2.998 -2.144) 4.728 4.597 ( 0.009 1.858 -2.474) 3.094 4.709 ( -3.141 -2.243 -2.226) 4.456 4.819 ( -1.468 2.419 -6.081) 6.707 5.008 ( 3.642 -2.339 -7.986) 9.083 5.132 ( -0.270 5.697 -7.098) 9.106 5.238 ( 3.050 -0.663 -0.059) 3.122 5.300 ( -1.461 2.363 -1.946) 3.392 5.395 ( 4.405 4.357 -4.253) 7.515 5.522 ( -5.956 1.915 -4.827) 7.902 5.930 ( 1.134 -1.780 7.648) 7.934 5.956 ( -0.019 0.358 5.952) 5.963 6.097 ( 3.256 -2.694 1.722) 4.563 6.223 ( -3.715 -0.418 1.709) 4.111 6.449 ( 0.192 -3.485 4.691) 5.847 6.511 ( 1.095 0.826 4.201) 4.419 6.701 ( 4.504 -0.621 -3.426) 5.693 6.784 ( -4.129 -2.606 -1.863) 5.226 6.927 ( 2.806 -1.421 -0.117) 3.147 6.972 ( -2.027 -1.899 1.169) 3.013 7.048 ( 4.695 0.567 -1.546) 4.975 7.111 ( -1.408 -0.139 0.994) 1.730 7.190 ( 0.331 -1.572 1.836) 2.440 7.236 ( -0.306 0.994 0.633) 1.217 7.358 ( 3.203 -1.451 -3.490) 4.954 7.439 ( -4.392 -0.532 -5.110) 6.759 7.642 ( -2.977 -0.085 4.125) 5.088 7.657 ( -2.404 0.694 1.734) 3.044 7.946 ( 1.469 2.242 3.869) 4.706 7.963 ( 0.347 3.608 3.056) 4.741 8.247 ( 3.572 -1.928 0.905) 4.159 8.347 ( -2.438 1.262 0.116) 2.748 8.610 ( 3.610 -1.435 0.335) 3.899 8.698 ( -4.830 -0.511 -1.484) 5.079 8.984 ( 2.281 -2.320 -5.013) 5.976 9.054 ( -4.425 -4.692 -4.601) 7.922 9.182 ( 2.144 1.257 -4.137) 4.826 9.233 ( -3.171 4.332 -4.972) 7.317 9.757 ( 8.436 3.039 1.887) 9.163 9.883 ( -5.081 1.993 3.002) 6.229 16.396 ( 2.189 -0.474 0.015) 2.240 16.443 ( -2.209 -0.054 -0.280) 2.227 16.918 ( 1.377 0.595 -0.963) 1.782 16.950 ( -1.317 1.029 -1.177) 2.044 17.237 ( 5.393 -0.095 -2.395) 5.901 17.336 ( -4.673 -0.088 -1.017) 4.784 17.485 ( 1.088 0.274 3.689) 3.856 17.511 ( -1.268 0.025 4.444) 4.621 17.618 ( 1.407 -0.293 1.148) 1.839 17.647 ( -1.584 1.355 1.738) 2.713 17.701 ( 0.786 2.330 1.637) 2.954 17.725 ( -1.698 1.484 1.606) 2.769 21.381 ( 0.246 -3.024 2.780) 4.115 21.421 ( -0.361 0.527 1.482) 1.614 21.685 ( 0.049 -0.349 -0.557) 0.659 21.712 ( -0.654 1.248 -1.330) 1.938 22.081 ( 1.953 0.169 0.301) 1.983 22.116 ( -1.652 0.230 0.322) 1.699 26.259 ( -0.100 -1.121 0.458) 1.215 26.278 ( -0.156 0.568 -0.466) 0.751 26.506 ( 1.053 0.225 -0.759) 1.318 26.533 ( -1.689 0.177 -0.565) 1.790 26.903 ( 0.935 -0.539 -0.335) 1.130 26.920 ( -0.862 -0.510 -0.376) 1.070 34.066 ( 2.665 0.511 0.296) 2.729 34.087 ( 0.995 1.378 0.144) 1.706 35.323 ( 2.964 1.792 0.397) 3.487 35.390 ( -3.390 1.836 0.430) 3.879 36.755 ( 6.475 -1.943 2.879) 7.348 36.886 ( -4.381 0.643 -1.777) 4.771 37.115 ( 0.888 -1.036 1.704) 2.183 37.167 ( -4.278 -0.370 6.091) 7.453 37.495 ( 1.837 -1.839 -4.190) 4.931 37.576 ( -1.679 2.051 -5.420) 6.034 38.504 ( 4.345 -5.780 -5.190) 8.900 38.668 ( -4.740 2.098 -7.188) 8.862 ======================= Grid point 155 (58/63) ======================= q-point: ( 0.00 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 -16.944 0.000) 16.944 1.704 ( 0.000 -7.508 0.000) 7.508 2.028 ( 0.000 0.954 -0.000) 0.954 2.210 ( 0.000 -15.767 0.000) 15.767 2.472 ( 0.000 -5.529 0.000) 5.529 2.632 ( 0.000 -5.959 0.000) 5.959 2.962 ( 0.000 5.608 -0.000) 5.608 3.007 ( 0.000 -18.986 0.000) 18.986 3.026 ( 0.000 -11.854 0.000) 11.854 3.086 ( 0.000 1.739 -0.000) 1.739 3.165 ( 0.000 2.009 -0.000) 2.009 3.370 ( 0.000 6.082 -0.000) 6.082 3.388 ( 0.000 -13.510 0.000) 13.510 3.410 ( 0.000 0.008 -0.000) 0.008 3.567 ( 0.000 -4.724 0.000) 4.724 3.615 ( 0.000 -11.003 0.000) 11.003 3.891 ( 0.000 5.772 -0.000) 5.772 3.909 ( 0.000 -1.630 0.000) 1.630 3.979 ( 0.000 6.332 -0.000) 6.332 4.153 ( 0.000 1.892 -0.000) 1.892 4.211 ( 0.000 2.485 -0.000) 2.485 4.214 ( 0.000 1.646 -0.000) 1.646 4.304 ( 0.000 0.329 -0.000) 0.329 4.389 ( 0.000 -5.180 0.000) 5.180 4.460 ( 0.000 2.959 -0.000) 2.959 4.477 ( 0.000 -0.339 0.000) 0.339 4.603 ( 0.000 3.955 -0.000) 3.955 4.641 ( 0.000 -2.229 0.000) 2.229 4.734 ( 0.000 0.218 -0.000) 0.218 4.775 ( 0.000 0.954 -0.000) 0.954 4.958 ( 0.000 -1.485 0.000) 1.485 5.039 ( 0.000 6.980 -0.000) 6.980 5.185 ( 0.000 3.436 -0.000) 3.436 5.201 ( 0.000 3.312 -0.000) 3.312 5.456 ( 0.000 4.274 -0.000) 4.274 5.659 ( 0.000 -6.403 0.000) 6.403 5.695 ( 0.000 -3.928 0.000) 3.928 5.930 ( 0.000 2.640 -0.000) 2.640 6.212 ( 0.000 -2.166 0.000) 2.166 6.221 ( 0.000 -8.468 0.000) 8.468 6.443 ( 0.000 -1.482 0.000) 1.482 6.529 ( 0.000 -1.829 0.000) 1.829 6.636 ( 0.000 5.043 -0.000) 5.043 6.783 ( 0.000 -1.907 0.000) 1.907 6.855 ( 0.000 -4.189 0.000) 4.189 6.927 ( 0.000 1.070 -0.000) 1.070 7.046 ( 0.000 -2.049 0.000) 2.049 7.069 ( 0.000 -0.636 0.000) 0.636 7.175 ( 0.000 -4.975 0.000) 4.975 7.253 ( 0.000 -0.094 0.000) 0.094 7.277 ( 0.000 0.836 -0.000) 0.836 7.481 ( 0.000 0.378 -0.000) 0.378 7.824 ( 0.000 1.838 -0.000) 1.838 7.840 ( 0.000 2.563 -0.000) 2.563 7.913 ( 0.000 0.123 -0.000) 0.123 8.052 ( 0.000 5.340 -0.000) 5.340 8.132 ( 0.000 2.499 -0.000) 2.499 8.431 ( 0.000 -0.494 0.000) 0.494 8.472 ( 0.000 -2.297 0.000) 2.297 8.805 ( 0.000 0.164 -0.000) 0.164 8.915 ( 0.000 -2.621 0.000) 2.621 9.020 ( 0.000 -9.374 0.000) 9.374 9.070 ( 0.000 -1.762 0.000) 1.762 9.429 ( 0.000 0.309 -0.000) 0.309 9.498 ( 0.000 11.920 -0.000) 11.920 10.000 ( 0.000 0.873 -0.000) 0.873 16.343 ( 0.000 -0.376 0.000) 0.376 16.481 ( 0.000 -1.279 0.000) 1.279 16.892 ( 0.000 2.448 -0.000) 2.448 16.981 ( 0.000 1.066 -0.000) 1.066 17.091 ( 0.000 1.302 -0.000) 1.302 17.460 ( 0.000 -0.319 0.000) 0.319 17.484 ( 0.000 2.650 -0.000) 2.650 17.555 ( 0.000 -2.756 0.000) 2.756 17.579 ( 0.000 -0.671 0.000) 0.671 17.720 ( 0.000 1.972 -0.000) 1.972 17.785 ( 0.000 6.117 -0.000) 6.117 17.805 ( 0.000 2.547 -0.000) 2.547 21.353 ( 0.000 -4.157 0.000) 4.157 21.471 ( 0.000 0.968 -0.000) 0.968 21.688 ( 0.000 1.072 -0.000) 1.072 21.738 ( 0.000 0.447 -0.000) 0.447 22.034 ( 0.000 0.008 -0.000) 0.008 22.155 ( 0.000 0.409 -0.000) 0.409 26.259 ( 0.000 -0.845 0.000) 0.845 26.275 ( 0.000 -0.309 0.000) 0.309 26.497 ( 0.000 0.635 -0.000) 0.635 26.573 ( 0.000 0.322 -0.000) 0.322 26.869 ( 0.000 -0.961 0.000) 0.961 26.926 ( 0.000 -1.003 0.000) 1.003 33.941 ( 0.000 -1.664 0.000) 1.664 34.056 ( 0.000 2.436 -0.000) 2.436 35.292 ( 0.000 3.554 -0.000) 3.554 35.488 ( 0.000 2.031 -0.000) 2.031 36.672 ( 0.000 0.241 -0.000) 0.241 36.869 ( 0.000 1.546 -0.000) 1.546 37.109 ( 0.000 -1.709 0.000) 1.709 37.311 ( 0.000 -3.900 0.000) 3.900 37.468 ( 0.000 0.448 -0.000) 0.448 37.565 ( 0.000 -3.116 0.000) 3.116 38.265 ( 0.000 -4.086 0.000) 4.086 38.754 ( 0.000 -0.570 0.000) 0.570 ======================= Grid point 156 (59/63) ======================= q-point: ( 0.20 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 1.565 -8.969 0.000) 9.105 1.722 ( 1.502 -8.166 0.000) 8.303 2.111 ( 6.069 -4.488 0.000) 7.549 2.265 ( 5.743 -15.772 0.000) 16.784 2.442 ( -2.766 -5.427 0.000) 6.091 2.619 ( -1.085 -4.296 0.000) 4.430 2.917 ( 0.446 -5.255 0.000) 5.274 2.949 ( -5.441 -3.360 0.000) 6.395 3.031 ( -0.604 -6.439 0.000) 6.468 3.086 ( 2.189 -6.235 0.000) 6.608 3.289 ( 8.716 -2.195 0.000) 8.988 3.333 ( -1.903 -2.003 0.000) 2.763 3.374 ( -1.251 1.921 -0.000) 2.293 3.482 ( 1.077 -0.867 0.000) 1.382 3.589 ( 7.070 -5.870 0.000) 9.190 3.665 ( 2.612 -9.573 0.000) 9.923 3.829 ( -4.935 3.567 -0.000) 6.089 3.942 ( 1.872 -1.815 0.000) 2.607 3.963 ( -0.095 3.863 -0.000) 3.864 4.094 ( -5.095 -1.480 0.000) 5.306 4.202 ( 1.101 -0.827 0.000) 1.378 4.259 ( -3.106 2.139 -0.000) 3.771 4.303 ( 2.260 -1.496 0.000) 2.711 4.357 ( -4.314 0.982 -0.000) 4.424 4.417 ( -3.226 0.435 -0.000) 3.255 4.498 ( 1.134 3.394 -0.000) 3.579 4.567 ( -2.317 2.032 -0.000) 3.082 4.653 ( 1.209 -2.711 0.000) 2.968 4.685 ( -3.457 1.248 -0.000) 3.675 4.786 ( 4.127 1.582 -0.000) 4.419 4.904 ( -7.769 0.933 -0.000) 7.825 5.120 ( 6.946 3.774 -0.000) 7.905 5.152 ( 2.461 2.228 -0.000) 3.320 5.301 ( 2.307 3.206 -0.000) 3.950 5.410 ( -1.917 7.898 -0.000) 8.128 5.570 ( -4.983 -3.230 0.000) 5.938 5.825 ( 8.537 -5.316 0.000) 10.056 5.973 ( 3.226 0.052 -0.000) 3.227 6.147 ( -3.678 -0.818 0.000) 3.768 6.251 ( 0.239 -7.294 0.000) 7.298 6.437 ( 0.147 -2.229 0.000) 2.233 6.505 ( -2.076 -4.046 0.000) 4.548 6.644 ( 1.323 4.816 -0.000) 4.994 6.793 ( -1.744 -5.381 0.000) 5.656 6.854 ( 1.812 -2.079 0.000) 2.758 6.953 ( 3.146 1.382 -0.000) 3.436 7.019 ( -3.305 -1.801 0.000) 3.764 7.092 ( 2.615 -1.358 0.000) 2.946 7.175 ( 0.365 -4.137 0.000) 4.153 7.261 ( 0.809 -0.229 0.000) 0.841 7.295 ( 1.335 1.109 -0.000) 1.735 7.450 ( -3.431 1.247 -0.000) 3.650 7.762 ( -4.794 0.407 -0.000) 4.811 7.789 ( -5.072 2.072 -0.000) 5.479 7.955 ( 3.213 1.373 -0.000) 3.494 8.033 ( -0.054 5.573 -0.000) 5.573 8.190 ( 3.919 1.360 -0.000) 4.148 8.383 ( -3.329 -2.478 0.000) 4.150 8.531 ( 4.132 -0.850 0.000) 4.218 8.754 ( -4.562 -0.809 0.000) 4.633 8.904 ( -0.850 -2.370 0.000) 2.518 8.995 ( -2.222 -7.897 0.000) 8.203 9.106 ( 3.067 -0.564 0.000) 3.118 9.317 ( -6.428 3.425 -0.000) 7.284 9.653 ( 10.560 8.560 -0.000) 13.594 9.992 ( -1.127 1.799 -0.000) 2.122 16.357 ( 1.483 -0.395 0.000) 1.535 16.468 ( -1.360 -1.066 0.000) 1.728 16.901 ( 0.925 2.251 -0.000) 2.433 16.973 ( -0.909 1.165 -0.000) 1.478 17.127 ( 3.715 1.031 -0.000) 3.855 17.407 ( -4.198 -0.381 0.000) 4.215 17.508 ( 1.184 1.545 -0.000) 1.946 17.570 ( -0.247 -0.954 0.000) 0.986 17.583 ( 1.965 -0.792 0.000) 2.119 17.715 ( -0.591 2.203 -0.000) 2.281 17.768 ( -1.577 5.632 -0.000) 5.849 17.790 ( -1.539 2.180 -0.000) 2.668 21.360 ( 0.770 -4.017 0.000) 4.090 21.455 ( -1.706 -0.136 0.000) 1.711 21.688 ( 0.025 1.111 -0.000) 1.111 21.725 ( -1.131 0.581 -0.000) 1.271 22.052 ( 1.751 0.261 -0.000) 1.771 22.146 ( -0.922 0.427 -0.000) 1.016 26.260 ( 0.124 -0.771 0.000) 0.781 26.272 ( -0.340 -0.365 0.000) 0.499 26.494 ( -0.046 0.534 -0.000) 0.536 26.560 ( -1.323 0.331 -0.000) 1.364 26.876 ( 0.713 -0.955 0.000) 1.192 26.921 ( -0.543 -1.008 0.000) 1.145 33.996 ( 5.117 -0.057 0.000) 5.117 34.076 ( 1.957 2.280 -0.000) 3.004 35.311 ( 2.111 3.923 -0.000) 4.455 35.472 ( -1.776 2.788 -0.000) 3.305 36.700 ( 3.065 0.043 -0.000) 3.065 36.873 ( 0.038 1.530 -0.000) 1.531 37.107 ( 0.156 -2.528 0.000) 2.533 37.335 ( 1.067 -2.241 0.000) 2.482 37.388 ( -5.210 -0.680 0.000) 5.255 37.570 ( -0.951 -2.284 0.000) 2.475 38.307 ( 4.458 -4.399 0.000) 6.263 38.698 ( -5.817 -1.732 0.000) 6.069 ======================= Grid point 157 (60/63) ======================= q-point: ( 0.40 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 3.185 -2.564 0.000) 4.088 1.730 ( -1.267 -3.290 0.000) 3.525 2.184 ( 3.532 -14.114 0.000) 14.549 2.273 ( -5.480 -15.518 0.000) 16.457 2.495 ( 7.525 -5.883 0.000) 9.552 2.590 ( -2.779 -3.821 0.000) 4.724 2.882 ( 0.732 -9.432 0.000) 9.461 2.956 ( -3.969 -8.241 0.000) 9.147 3.069 ( 8.442 5.460 -0.000) 10.054 3.129 ( 2.194 -0.634 0.000) 2.284 3.274 ( -3.509 -1.989 0.000) 4.034 3.300 ( -4.613 6.785 -0.000) 8.205 3.497 ( 10.885 -8.744 0.000) 13.962 3.527 ( 4.911 6.582 -0.000) 8.212 3.644 ( -4.840 1.614 -0.000) 5.102 3.678 ( -1.641 -7.577 0.000) 7.753 3.792 ( 3.265 -11.204 0.000) 11.670 3.909 ( -6.844 -12.887 0.000) 14.592 4.003 ( 0.111 2.681 -0.000) 2.683 4.064 ( 7.342 -3.335 0.000) 8.064 4.103 ( -6.832 2.627 -0.000) 7.319 4.236 ( 0.831 0.280 -0.000) 0.877 4.251 ( -7.276 -1.480 0.000) 7.425 4.285 ( -4.332 -1.263 0.000) 4.512 4.462 ( 7.028 5.107 -0.000) 8.687 4.516 ( 0.912 5.390 -0.000) 5.466 4.556 ( 1.125 1.785 -0.000) 2.110 4.639 ( -3.724 1.453 -0.000) 3.997 4.662 ( 0.964 -0.229 0.000) 0.990 4.728 ( -7.191 -3.078 0.000) 7.822 4.946 ( 9.592 2.956 -0.000) 10.037 5.117 ( -7.811 4.523 -0.000) 9.026 5.239 ( 6.313 0.801 -0.000) 6.363 5.307 ( -0.145 2.659 -0.000) 2.663 5.434 ( 2.142 8.339 -0.000) 8.609 5.485 ( -4.044 2.112 -0.000) 4.562 5.958 ( 4.704 -5.119 0.000) 6.952 5.997 ( -0.540 -2.524 0.000) 2.581 6.125 ( 2.420 0.052 -0.000) 2.421 6.212 ( -4.737 -3.256 0.000) 5.748 6.464 ( 2.417 -4.879 0.000) 5.445 6.489 ( -0.037 -6.470 0.000) 6.470 6.676 ( 2.129 0.695 -0.000) 2.240 6.732 ( -3.871 -3.668 0.000) 5.333 6.897 ( 2.437 -3.264 0.000) 4.073 6.951 ( -3.561 -3.741 0.000) 5.165 7.043 ( 5.922 1.511 -0.000) 6.111 7.120 ( -1.175 0.579 -0.000) 1.310 7.201 ( 2.995 -2.879 0.000) 4.154 7.260 ( -1.976 -0.564 0.000) 2.055 7.320 ( 1.755 1.345 -0.000) 2.212 7.370 ( -4.203 2.102 -0.000) 4.699 7.691 ( -2.348 0.338 -0.000) 2.372 7.699 ( -3.404 0.978 -0.000) 3.542 8.013 ( 2.737 3.255 -0.000) 4.253 8.040 ( -0.135 4.817 -0.000) 4.819 8.253 ( 3.241 -1.119 0.000) 3.429 8.317 ( -3.810 -2.592 0.000) 4.608 8.602 ( 3.699 -1.570 0.000) 4.019 8.671 ( -4.150 -1.775 0.000) 4.514 8.904 ( 1.272 -2.559 0.000) 2.858 8.947 ( -2.930 -4.999 0.000) 5.795 9.162 ( 2.993 1.434 -0.000) 3.318 9.222 ( -4.027 3.089 -0.000) 5.075 9.831 ( 8.403 7.050 -0.000) 10.969 9.946 ( -4.217 4.261 -0.000) 5.995 16.393 ( 2.287 -0.475 0.000) 2.335 16.435 ( -2.202 -0.695 0.000) 2.309 16.924 ( 1.446 1.829 -0.000) 2.332 16.951 ( -1.442 1.431 -0.000) 2.031 17.215 ( 5.619 0.286 -0.000) 5.626 17.318 ( -5.466 -0.454 0.000) 5.485 17.529 ( 1.246 0.566 -0.000) 1.368 17.552 ( -1.273 -0.183 0.000) 1.286 17.634 ( 3.161 1.246 -0.000) 3.398 17.689 ( -2.519 2.724 -0.000) 3.710 17.748 ( -0.162 3.520 -0.000) 3.523 17.761 ( -1.376 2.236 -0.000) 2.625 21.382 ( 1.608 -3.465 0.000) 3.820 21.417 ( -2.198 -2.150 0.000) 3.075 21.692 ( 0.467 1.173 -0.000) 1.262 21.705 ( -0.987 0.983 -0.000) 1.393 22.088 ( 2.054 0.486 -0.000) 2.111 22.122 ( -1.647 0.481 -0.000) 1.716 26.262 ( 0.118 -0.595 0.000) 0.607 26.266 ( -0.286 -0.459 0.000) 0.541 26.503 ( 1.063 0.415 -0.000) 1.141 26.530 ( -1.789 0.358 -0.000) 1.824 26.892 ( 0.931 -0.974 0.000) 1.347 26.908 ( -0.852 -1.002 0.000) 1.316 34.083 ( 3.432 1.748 -0.000) 3.851 34.107 ( 0.678 2.125 -0.000) 2.231 35.364 ( 3.431 4.554 -0.000) 5.701 35.426 ( -3.162 4.169 -0.000) 5.232 36.775 ( 4.787 -0.169 0.000) 4.790 36.851 ( -2.858 0.598 -0.000) 2.920 37.135 ( 3.352 -2.009 0.000) 3.908 37.233 ( -7.078 -0.295 0.000) 7.085 37.431 ( 5.006 -1.980 0.000) 5.383 37.520 ( -4.295 -1.813 0.000) 4.662 38.418 ( 7.422 -4.619 0.000) 8.742 38.564 ( -8.261 -3.709 0.000) 9.055 ======================= Grid point 195 (61/63) ======================= q-point: ( 0.00 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 -0.000 0.000) 0.000 1.808 ( 0.000 0.000 -0.000) 0.000 2.028 ( 0.000 -0.000 0.000) 0.000 2.477 ( 0.000 -0.000 0.000) 0.000 2.533 ( 0.000 -0.000 0.000) 0.000 2.716 ( 0.000 -0.000 0.000) 0.000 2.874 ( 0.000 -0.000 0.000) 0.000 2.877 ( 0.000 -0.000 0.000) 0.000 3.141 ( 0.000 -0.000 0.000) 0.000 3.162 ( 0.000 -0.000 0.000) 0.000 3.263 ( 0.000 -0.000 0.000) 0.000 3.291 ( 0.000 -0.000 0.000) 0.000 3.465 ( 0.000 -0.000 0.000) 0.000 3.624 ( 0.000 -0.000 0.000) 0.000 3.630 ( 0.000 -0.000 0.000) 0.000 3.738 ( 0.000 -0.000 0.000) 0.000 3.788 ( 0.000 -0.000 0.000) 0.000 3.890 ( 0.000 -0.000 0.000) 0.000 3.931 ( 0.000 -0.000 0.000) 0.000 4.115 ( 0.000 -0.000 0.000) 0.000 4.165 ( 0.000 -0.000 0.000) 0.000 4.198 ( 0.000 -0.000 0.000) 0.000 4.329 ( 0.000 -0.000 0.000) 0.000 4.412 ( 0.000 -0.000 0.000) 0.000 4.484 ( 0.000 0.000 -0.000) 0.000 4.497 ( 0.000 -0.000 0.000) 0.000 4.544 ( 0.000 -0.000 0.000) 0.000 4.677 ( 0.000 0.000 -0.000) 0.000 4.686 ( 0.000 -0.000 0.000) 0.000 4.750 ( 0.000 -0.000 0.000) 0.000 4.954 ( 0.000 -0.000 0.000) 0.000 4.979 ( 0.000 -0.000 0.000) 0.000 5.138 ( 0.000 -0.000 0.000) 0.000 5.173 ( 0.000 -0.000 0.000) 0.000 5.409 ( 0.000 -0.000 0.000) 0.000 5.739 ( 0.000 -0.000 0.000) 0.000 5.740 ( 0.000 -0.000 0.000) 0.000 5.893 ( 0.000 -0.000 0.000) 0.000 6.235 ( 0.000 -0.000 0.000) 0.000 6.372 ( 0.000 -0.000 0.000) 0.000 6.407 ( 0.000 -0.000 0.000) 0.000 6.478 ( 0.000 -0.000 0.000) 0.000 6.635 ( 0.000 -0.000 0.000) 0.000 6.802 ( 0.000 -0.000 0.000) 0.000 6.912 ( 0.000 -0.000 0.000) 0.000 6.917 ( 0.000 -0.000 0.000) 0.000 7.066 ( 0.000 -0.000 0.000) 0.000 7.074 ( 0.000 -0.000 0.000) 0.000 7.222 ( 0.000 -0.000 0.000) 0.000 7.257 ( 0.000 -0.000 0.000) 0.000 7.268 ( 0.000 -0.000 0.000) 0.000 7.501 ( 0.000 -0.000 0.000) 0.000 7.799 ( 0.000 -0.000 0.000) 0.000 7.811 ( 0.000 -0.000 0.000) 0.000 7.903 ( 0.000 -0.000 0.000) 0.000 7.986 ( 0.000 -0.000 0.000) 0.000 8.105 ( 0.000 -0.000 0.000) 0.000 8.434 ( 0.000 -0.000 0.000) 0.000 8.499 ( 0.000 -0.000 0.000) 0.000 8.801 ( 0.000 -0.000 0.000) 0.000 8.948 ( 0.000 -0.000 0.000) 0.000 9.087 ( 0.000 -0.000 0.000) 0.000 9.218 ( 0.000 0.000 -0.000) 0.000 9.271 ( 0.000 -0.000 0.000) 0.000 9.426 ( 0.000 -0.000 0.000) 0.000 9.990 ( 0.000 -0.000 0.000) 0.000 16.347 ( 0.000 -0.000 0.000) 0.000 16.495 ( 0.000 -0.000 0.000) 0.000 16.865 ( 0.000 -0.000 0.000) 0.000 16.969 ( 0.000 -0.000 0.000) 0.000 17.077 ( 0.000 -0.000 0.000) 0.000 17.455 ( 0.000 -0.000 0.000) 0.000 17.459 ( 0.000 -0.000 0.000) 0.000 17.587 ( 0.000 -0.000 0.000) 0.000 17.618 ( 0.000 -0.000 0.000) 0.000 17.689 ( 0.000 -0.000 0.000) 0.000 17.701 ( 0.000 -0.000 0.000) 0.000 17.776 ( 0.000 -0.000 0.000) 0.000 21.424 ( 0.000 0.000 -0.000) 0.000 21.436 ( 0.000 -0.000 0.000) 0.000 21.676 ( 0.000 -0.000 0.000) 0.000 21.733 ( 0.000 -0.000 0.000) 0.000 22.034 ( 0.000 -0.000 0.000) 0.000 22.150 ( 0.000 -0.000 0.000) 0.000 26.269 ( 0.000 -0.000 0.000) 0.000 26.278 ( 0.000 -0.000 0.000) 0.000 26.489 ( 0.000 -0.000 0.000) 0.000 26.570 ( 0.000 -0.000 0.000) 0.000 26.880 ( 0.000 -0.000 0.000) 0.000 26.938 ( 0.000 -0.000 0.000) 0.000 33.966 ( 0.000 -0.000 0.000) 0.000 34.022 ( 0.000 -0.000 0.000) 0.000 35.246 ( 0.000 -0.000 0.000) 0.000 35.477 ( 0.000 -0.000 0.000) 0.000 36.670 ( 0.000 -0.000 0.000) 0.000 36.852 ( 0.000 -0.000 0.000) 0.000 37.128 ( 0.000 -0.000 0.000) 0.000 37.365 ( 0.000 -0.000 0.000) 0.000 37.449 ( 0.000 -0.000 0.000) 0.000 37.599 ( 0.000 -0.000 0.000) 0.000 38.309 ( 0.000 -0.000 0.000) 0.000 38.760 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 197 (62/63) ======================= q-point: ( 0.20 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -2.550 -0.000 0.000) 2.550 1.804 ( -1.018 -0.000 0.000) 1.018 2.184 ( 12.334 -0.000 0.000) 12.334 2.510 ( -2.251 -0.000 0.000) 2.251 2.518 ( 4.484 -0.000 0.000) 4.484 2.718 ( 1.870 0.000 -0.000) 1.870 2.792 ( -7.638 -0.000 0.000) 7.638 2.908 ( 3.101 -0.000 0.000) 3.101 3.117 ( 2.340 -0.000 0.000) 2.340 3.173 ( -0.218 -0.000 0.000) 0.218 3.292 ( -3.879 0.000 -0.000) 3.879 3.302 ( 1.255 -0.000 0.000) 1.255 3.440 ( -2.346 -0.000 0.000) 2.346 3.630 ( -3.857 -0.000 0.000) 3.857 3.648 ( 3.071 -0.000 0.000) 3.071 3.684 ( 1.904 -0.000 0.000) 1.904 3.861 ( 5.580 -0.000 0.000) 5.580 3.891 ( -0.050 -0.000 0.000) 0.050 3.966 ( 3.901 -0.000 0.000) 3.901 4.152 ( -1.216 -0.000 0.000) 1.216 4.161 ( 4.765 -0.000 0.000) 4.765 4.215 ( 1.751 -0.000 0.000) 1.751 4.352 ( -5.411 -0.000 0.000) 5.411 4.375 ( -4.797 -0.000 0.000) 4.797 4.389 ( -2.024 -0.000 0.000) 2.024 4.495 ( -0.816 -0.000 0.000) 0.816 4.506 ( -3.780 -0.000 0.000) 3.780 4.657 ( 0.478 -0.000 0.000) 0.478 4.695 ( -1.195 -0.000 0.000) 1.195 4.780 ( 5.118 -0.000 0.000) 5.118 4.878 ( -6.014 -0.000 0.000) 6.014 5.057 ( 4.142 -0.000 0.000) 4.142 5.193 ( 3.910 0.000 -0.000) 3.910 5.201 ( 3.125 -0.000 0.000) 3.125 5.327 ( -5.891 -0.000 0.000) 5.891 5.605 ( -7.423 -0.000 0.000) 7.423 5.889 ( 8.837 -0.000 0.000) 8.837 5.975 ( 6.181 -0.000 0.000) 6.181 6.151 ( -5.901 -0.000 0.000) 5.901 6.343 ( -3.441 -0.000 0.000) 3.441 6.485 ( 1.206 0.000 -0.000) 1.206 6.486 ( 5.548 -0.000 0.000) 5.548 6.613 ( -0.415 -0.000 0.000) 0.415 6.861 ( 4.733 0.000 -0.000) 4.733 6.872 ( -4.393 -0.000 0.000) 4.393 6.941 ( 2.847 -0.000 0.000) 2.847 7.033 ( -2.091 -0.000 0.000) 2.091 7.103 ( 1.728 -0.000 0.000) 1.728 7.222 ( 0.277 -0.000 0.000) 0.277 7.269 ( 1.007 -0.000 0.000) 1.007 7.282 ( 1.271 -0.000 0.000) 1.271 7.452 ( -4.982 -0.000 0.000) 4.982 7.758 ( -4.336 -0.000 0.000) 4.336 7.766 ( -4.128 -0.000 0.000) 4.128 7.941 ( 2.711 -0.000 0.000) 2.711 7.954 ( -0.517 -0.000 0.000) 0.517 8.175 ( 5.237 -0.000 0.000) 5.237 8.411 ( -2.516 -0.000 0.000) 2.516 8.539 ( 3.889 -0.000 0.000) 3.889 8.761 ( -3.763 -0.000 0.000) 3.763 8.935 ( -1.011 -0.000 0.000) 1.011 9.108 ( 1.536 -0.000 0.000) 1.536 9.161 ( -5.557 0.000 -0.000) 5.557 9.199 ( -3.994 -0.000 0.000) 3.994 9.563 ( 10.762 -0.000 0.000) 10.762 9.972 ( -2.199 -0.000 0.000) 2.199 16.361 ( 1.497 -0.000 0.000) 1.497 16.480 ( -1.599 -0.000 0.000) 1.599 16.876 ( 1.155 -0.000 0.000) 1.155 16.960 ( -1.024 -0.000 0.000) 1.024 17.116 ( 4.044 -0.000 0.000) 4.044 17.407 ( -3.576 -0.000 0.000) 3.576 17.490 ( 1.691 -0.000 0.000) 1.691 17.579 ( -0.887 -0.000 0.000) 0.887 17.622 ( 0.351 -0.000 0.000) 0.351 17.674 ( -1.407 -0.000 0.000) 1.407 17.699 ( 0.051 -0.000 0.000) 0.051 17.765 ( -1.165 -0.000 0.000) 1.165 21.425 ( 0.137 0.000 -0.000) 0.137 21.435 ( -0.114 -0.000 0.000) 0.114 21.675 ( -0.039 -0.000 0.000) 0.039 21.718 ( -1.349 -0.000 0.000) 1.349 22.049 ( 1.559 -0.000 0.000) 1.559 22.142 ( -0.943 -0.000 0.000) 0.943 26.269 ( 0.020 -0.000 0.000) 0.020 26.275 ( -0.273 -0.000 0.000) 0.273 26.488 ( 0.063 -0.000 0.000) 0.063 26.557 ( -1.333 -0.000 0.000) 1.333 26.887 ( 0.713 -0.000 0.000) 0.713 26.932 ( -0.541 -0.000 0.000) 0.541 34.003 ( 3.534 -0.000 0.000) 3.534 34.047 ( 2.317 -0.000 0.000) 2.317 35.264 ( 1.984 -0.000 0.000) 1.984 35.451 ( -2.690 -0.000 0.000) 2.690 36.701 ( 3.301 -0.000 0.000) 3.301 36.856 ( 0.232 -0.000 0.000) 0.232 37.136 ( 0.754 -0.000 0.000) 0.754 37.366 ( -7.459 -0.000 0.000) 7.459 37.387 ( 2.451 -0.000 0.000) 2.451 37.595 ( -1.385 -0.000 0.000) 1.385 38.354 ( 4.668 -0.000 0.000) 4.668 38.715 ( -4.747 -0.000 0.000) 4.747 ======================= Grid point 199 (63/63) ======================= q-point: ( 0.40 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 1.859 -0.000 0.000) 1.859 1.759 ( -3.563 -0.000 0.000) 3.563 2.362 ( 6.795 -0.000 0.000) 6.795 2.455 ( -3.904 -0.000 0.000) 3.904 2.596 ( 3.171 -0.000 0.000) 3.171 2.665 ( -5.289 -0.000 0.000) 5.289 2.860 ( 13.260 -0.000 0.000) 13.260 2.996 ( 5.758 -0.000 0.000) 5.758 3.115 ( -10.687 0.000 -0.000) 10.687 3.121 ( -5.307 -0.000 0.000) 5.307 3.228 ( 5.757 -0.000 0.000) 5.757 3.323 ( -1.054 -0.000 0.000) 1.054 3.393 ( -0.594 -0.000 0.000) 0.594 3.484 ( -8.224 -0.000 0.000) 8.224 3.755 ( 7.808 -0.000 0.000) 7.808 3.785 ( 4.156 0.000 -0.000) 4.156 3.890 ( 0.806 -0.000 0.000) 0.806 3.955 ( 2.029 -0.000 0.000) 2.029 4.053 ( 2.671 -0.000 0.000) 2.671 4.094 ( -10.481 -0.000 0.000) 10.481 4.147 ( 3.128 -0.000 0.000) 3.128 4.243 ( 1.515 -0.000 0.000) 1.515 4.262 ( -1.311 -0.000 0.000) 1.311 4.339 ( -4.125 -0.000 0.000) 4.125 4.379 ( 2.855 0.000 -0.000) 2.855 4.431 ( -3.395 -0.000 0.000) 3.395 4.508 ( 3.733 -0.000 0.000) 3.733 4.623 ( -6.502 -0.000 0.000) 6.502 4.709 ( 3.889 -0.000 0.000) 3.889 4.780 ( -4.296 -0.000 0.000) 4.296 4.900 ( 6.971 -0.000 0.000) 6.971 5.024 ( -6.191 -0.000 0.000) 6.191 5.248 ( 2.063 0.000 -0.000) 2.063 5.267 ( 0.174 -0.000 0.000) 0.174 5.315 ( 6.991 -0.000 0.000) 6.991 5.463 ( -8.263 -0.000 0.000) 8.263 6.021 ( 2.726 -0.000 0.000) 2.726 6.036 ( 0.258 -0.000 0.000) 0.258 6.114 ( 4.926 -0.000 0.000) 4.926 6.248 ( -7.020 -0.000 0.000) 7.020 6.529 ( 3.335 -0.000 0.000) 3.335 6.556 ( 1.404 -0.000 0.000) 1.404 6.658 ( 4.854 -0.000 0.000) 4.854 6.766 ( -6.553 -0.000 0.000) 6.553 6.934 ( 3.286 -0.000 0.000) 3.286 6.990 ( -2.799 -0.000 0.000) 2.799 7.028 ( 6.184 -0.000 0.000) 6.184 7.113 ( -1.745 -0.000 0.000) 1.745 7.240 ( 1.753 -0.000 0.000) 1.753 7.275 ( -1.008 -0.000 0.000) 1.008 7.307 ( 1.399 -0.000 0.000) 1.399 7.350 ( -4.616 -0.000 0.000) 4.616 7.686 ( -2.990 -0.000 0.000) 2.990 7.686 ( -2.757 0.000 -0.000) 2.757 7.971 ( 1.295 -0.000 0.000) 1.295 7.977 ( 0.927 -0.000 0.000) 0.927 8.266 ( 4.748 -0.000 0.000) 4.748 8.348 ( -4.173 -0.000 0.000) 4.173 8.618 ( 4.221 -0.000 0.000) 4.221 8.689 ( -3.858 -0.000 0.000) 3.858 8.940 ( 2.445 -0.000 0.000) 2.445 9.031 ( -6.870 -0.000 0.000) 6.870 9.141 ( 1.015 0.000 -0.000) 1.015 9.157 ( -1.083 -0.000 0.000) 1.083 9.756 ( 9.731 -0.000 0.000) 9.731 9.900 ( -5.892 -0.000 0.000) 5.892 16.397 ( 2.353 -0.000 0.000) 2.353 16.442 ( -2.400 -0.000 0.000) 2.400 16.903 ( 1.708 -0.000 0.000) 1.708 16.935 ( -1.637 -0.000 0.000) 1.637 17.212 ( 6.147 -0.000 0.000) 6.147 17.323 ( -5.631 -0.000 0.000) 5.631 17.522 ( 1.840 -0.000 0.000) 1.840 17.555 ( -1.701 -0.000 0.000) 1.701 17.631 ( 0.642 -0.000 0.000) 0.642 17.648 ( -1.272 -0.000 0.000) 1.272 17.710 ( 1.134 -0.000 0.000) 1.134 17.737 ( -1.717 -0.000 0.000) 1.717 21.429 ( 0.211 0.000 -0.000) 0.211 21.433 ( -0.195 -0.000 0.000) 0.195 21.677 ( 0.445 -0.000 0.000) 0.445 21.693 ( -1.240 -0.000 0.000) 1.240 22.083 ( 1.997 -0.000 0.000) 1.997 22.117 ( -1.673 -0.000 0.000) 1.673 26.269 ( -0.009 -0.000 0.000) 0.009 26.271 ( -0.206 -0.000 0.000) 0.206 26.498 ( 1.142 -0.000 0.000) 1.142 26.527 ( -1.823 -0.000 0.000) 1.823 26.903 ( 0.948 -0.000 0.000) 0.948 26.919 ( -0.864 -0.000 0.000) 0.864 34.066 ( 2.666 -0.000 0.000) 2.666 34.082 ( 0.933 -0.000 0.000) 0.933 35.315 ( 3.588 -0.000 0.000) 3.588 35.387 ( -4.044 -0.000 0.000) 4.044 36.779 ( 4.714 -0.000 0.000) 4.714 36.845 ( -1.974 -0.000 0.000) 1.974 37.158 ( 2.042 -0.000 0.000) 2.042 37.231 ( -6.261 -0.000 0.000) 6.261 37.453 ( 4.634 -0.000 0.000) 4.634 37.540 ( -4.394 -0.000 0.000) 4.394 38.465 ( 7.214 -0.000 0.000) 7.214 38.601 ( -7.325 -0.000 0.000) 7.325 =================== 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 3/32640 10.0 934.198 957.503 1004.048 0.000 0.000 -0.000 3/32640 20.0 75.501 78.601 83.935 0.000 0.000 -0.000 3/32640 30.0 23.566 23.622 25.377 0.000 -0.000 -0.000 3/32640 40.0 11.955 11.845 12.746 0.000 -0.000 -0.000 3/32640 50.0 7.610 7.481 8.077 0.000 -0.000 -0.000 3/32640 60.0 5.485 5.352 5.808 0.000 -0.000 -0.000 3/32640 70.0 4.265 4.133 4.511 0.000 -0.000 -0.000 3/32640 80.0 3.487 3.358 3.686 0.000 -0.000 -0.000 3/32640 90.0 2.952 2.827 3.121 0.000 -0.000 -0.000 3/32640 100.0 2.563 2.444 2.711 0.000 -0.000 -0.000 3/32640 110.0 2.268 2.155 2.401 0.000 -0.000 -0.000 3/32640 120.0 2.037 1.930 2.158 0.000 -0.000 -0.000 3/32640 130.0 1.851 1.749 1.963 0.000 -0.000 -0.000 3/32640 140.0 1.698 1.601 1.803 0.000 -0.000 -0.000 3/32640 150.0 1.569 1.478 1.669 0.000 -0.000 -0.000 3/32640 160.0 1.460 1.373 1.556 0.000 -0.000 -0.000 3/32640 170.0 1.365 1.283 1.458 0.000 -0.000 -0.000 3/32640 180.0 1.283 1.205 1.373 0.000 -0.000 -0.000 3/32640 190.0 1.211 1.136 1.298 0.000 -0.000 -0.000 3/32640 200.0 1.147 1.076 1.231 0.000 -0.000 -0.000 3/32640 210.0 1.089 1.022 1.172 0.000 -0.000 -0.000 3/32640 220.0 1.038 0.973 1.119 0.000 -0.000 -0.000 3/32640 230.0 0.991 0.930 1.070 0.000 -0.000 -0.000 3/32640 240.0 0.948 0.890 1.027 0.000 -0.000 -0.000 3/32640 250.0 0.910 0.854 0.986 0.000 -0.000 -0.000 3/32640 260.0 0.874 0.820 0.950 0.000 -0.000 -0.000 3/32640 270.0 0.841 0.790 0.916 0.000 -0.000 -0.000 3/32640 280.0 0.811 0.762 0.884 0.000 -0.000 -0.000 3/32640 290.0 0.783 0.736 0.855 0.000 -0.000 -0.000 3/32640 300.0 0.756 0.711 0.828 0.000 -0.000 -0.000 3/32640 310.0 0.732 0.689 0.803 0.000 -0.000 -0.000 3/32640 320.0 0.709 0.668 0.779 0.000 -0.000 -0.000 3/32640 330.0 0.688 0.648 0.757 0.000 -0.000 -0.000 3/32640 340.0 0.668 0.629 0.737 0.000 -0.000 -0.000 3/32640 350.0 0.649 0.612 0.717 0.000 -0.000 -0.000 3/32640 360.0 0.631 0.596 0.699 0.000 -0.000 -0.000 3/32640 370.0 0.614 0.580 0.681 0.000 -0.000 -0.000 3/32640 380.0 0.598 0.566 0.665 0.000 -0.000 -0.000 3/32640 390.0 0.583 0.552 0.649 0.000 -0.000 -0.000 3/32640 400.0 0.569 0.539 0.634 0.000 -0.000 -0.000 3/32640 410.0 0.556 0.526 0.620 0.000 -0.000 -0.000 3/32640 420.0 0.543 0.514 0.607 0.000 -0.000 -0.000 3/32640 430.0 0.530 0.503 0.594 0.000 -0.000 -0.000 3/32640 440.0 0.519 0.492 0.582 0.000 -0.000 -0.000 3/32640 450.0 0.507 0.482 0.570 0.000 -0.000 -0.000 3/32640 460.0 0.497 0.472 0.559 0.000 -0.000 -0.000 3/32640 470.0 0.486 0.463 0.548 0.000 -0.000 -0.000 3/32640 480.0 0.477 0.454 0.538 0.000 -0.000 -0.000 3/32640 490.0 0.467 0.445 0.528 0.000 -0.000 -0.000 3/32640 500.0 0.458 0.437 0.519 0.000 -0.000 -0.000 3/32640 510.0 0.449 0.429 0.510 0.000 -0.000 -0.000 3/32640 520.0 0.441 0.421 0.501 0.000 -0.000 -0.000 3/32640 530.0 0.433 0.414 0.493 0.000 -0.000 -0.000 3/32640 540.0 0.425 0.407 0.485 0.000 -0.000 -0.000 3/32640 550.0 0.418 0.400 0.477 0.000 -0.000 -0.000 3/32640 560.0 0.411 0.393 0.469 0.000 -0.000 -0.000 3/32640 570.0 0.404 0.387 0.462 0.000 -0.000 -0.000 3/32640 580.0 0.397 0.381 0.455 0.000 -0.000 -0.000 3/32640 590.0 0.391 0.375 0.448 0.000 -0.000 -0.000 3/32640 600.0 0.384 0.369 0.441 0.000 -0.000 -0.000 3/32640 610.0 0.378 0.363 0.435 0.000 -0.000 -0.000 3/32640 620.0 0.372 0.358 0.429 0.000 -0.000 -0.000 3/32640 630.0 0.367 0.353 0.423 0.000 -0.000 -0.000 3/32640 640.0 0.361 0.348 0.417 0.000 -0.000 -0.000 3/32640 650.0 0.356 0.343 0.411 0.000 -0.000 -0.000 3/32640 660.0 0.351 0.338 0.406 0.000 -0.000 -0.000 3/32640 670.0 0.346 0.333 0.400 0.000 -0.000 -0.000 3/32640 680.0 0.341 0.329 0.395 0.000 -0.000 -0.000 3/32640 690.0 0.336 0.325 0.390 0.000 -0.000 -0.000 3/32640 700.0 0.332 0.320 0.385 0.000 -0.000 -0.000 3/32640 710.0 0.327 0.316 0.381 0.000 -0.000 -0.000 3/32640 720.0 0.323 0.312 0.376 0.000 -0.000 -0.000 3/32640 730.0 0.319 0.308 0.371 0.000 -0.000 -0.000 3/32640 740.0 0.314 0.304 0.367 0.000 -0.000 -0.000 3/32640 750.0 0.310 0.301 0.363 0.000 -0.000 -0.000 3/32640 760.0 0.307 0.297 0.358 0.000 -0.000 -0.000 3/32640 770.0 0.303 0.294 0.354 0.000 -0.000 -0.000 3/32640 780.0 0.299 0.290 0.350 0.000 -0.000 -0.000 3/32640 790.0 0.295 0.287 0.346 0.000 -0.000 -0.000 3/32640 800.0 0.292 0.283 0.343 0.000 -0.000 -0.000 3/32640 810.0 0.288 0.280 0.339 0.000 -0.000 -0.000 3/32640 820.0 0.285 0.277 0.335 0.000 -0.000 -0.000 3/32640 830.0 0.282 0.274 0.332 0.000 -0.000 -0.000 3/32640 840.0 0.279 0.271 0.328 0.000 -0.000 -0.000 3/32640 850.0 0.275 0.268 0.325 0.000 -0.000 -0.000 3/32640 860.0 0.272 0.265 0.321 0.000 -0.000 -0.000 3/32640 870.0 0.269 0.262 0.318 0.000 -0.000 -0.000 3/32640 880.0 0.266 0.260 0.315 0.000 -0.000 -0.000 3/32640 890.0 0.264 0.257 0.312 0.000 -0.000 -0.000 3/32640 900.0 0.261 0.254 0.309 0.000 -0.000 -0.000 3/32640 910.0 0.258 0.252 0.306 0.000 -0.000 -0.000 3/32640 920.0 0.255 0.249 0.303 0.000 -0.000 -0.000 3/32640 930.0 0.253 0.247 0.300 0.000 -0.000 -0.000 3/32640 940.0 0.250 0.244 0.297 0.000 -0.000 -0.000 3/32640 950.0 0.248 0.242 0.294 0.000 -0.000 -0.000 3/32640 960.0 0.245 0.240 0.292 0.000 -0.000 -0.000 3/32640 970.0 0.243 0.238 0.289 0.000 -0.000 -0.000 3/32640 980.0 0.240 0.235 0.286 0.000 -0.000 -0.000 3/32640 990.0 0.238 0.233 0.284 0.000 -0.000 -0.000 3/32640 1000.0 0.236 0.231 0.281 0.000 -0.000 -0.000 3/32640 Thermal conductivity related properties were written into "kappa-m588.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:14:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|