----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:01:18]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.675546600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.531658360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.352797850000004 Atomic positions (fractional): *1 Lu 0.63549994485123 0.49591126885782 0.69441743466327 174.967 *2 Lu 0.86815737414951 0.50000000000000 0.50000000000000 174.967 3 Lu 0.63184262585049 0.50000000000000 0.00000000000000 174.967 4 Lu 0.13184262585049 0.50000000000000 0.50000000000000 174.967 5 Lu 0.13549994485123 0.49591126885782 0.80558256533673 174.967 6 Lu 0.36815737414951 0.50000000000000 0.00000000000000 174.967 7 Lu 0.63549994485123 0.50408873114218 0.30558256533673 174.967 8 Lu 0.36450005514877 0.50408873114218 0.30558256533673 174.967 9 Lu 0.86450005514877 0.49591126885782 0.80558256533673 174.967 10 Lu 0.13549994485123 0.50408873114218 0.19441743466327 174.967 11 Lu 0.36450005514877 0.49591126885782 0.69441743466327 174.967 12 Lu 0.86450005514877 0.50408873114218 0.19441743466327 174.967 *13 B 0.00000000000000 0.95756449853008 0.12781562790363 10.811 *14 B 0.29791852997635 0.03466231984913 0.15048931443640 10.811 15 B 0.70208147002365 0.96533768015087 0.84951068556360 10.811 *16 B 0.33827050702395 0.00000000000000 0.50000000000000 10.811 17 B 0.50000000000000 0.95756449853008 0.37218437209637 10.811 18 B 0.83827050702395 0.00000000000000 0.00000000000000 10.811 19 B 0.20208147002365 0.03466231984913 0.34951068556360 10.811 20 B 0.29791852997635 0.96533768015087 0.84951068556360 10.811 21 B 0.79791852997635 0.96533768015087 0.65048931443640 10.811 22 B 0.20208147002365 0.96533768015087 0.65048931443640 10.811 *23 B 0.50000000000000 0.03569365912734 0.85153716834191 10.811 24 B 0.79791852997635 0.03466231984913 0.34951068556360 10.811 25 B 0.50000000000000 0.04243550146992 0.62781562790363 10.811 26 B 0.66172949297605 0.00000000000000 0.50000000000000 10.811 27 B 0.50000000000000 0.96430634087266 0.14846283165809 10.811 28 B 0.70208147002365 0.03466231984913 0.15048931443640 10.811 29 B 0.00000000000000 0.03569365912734 0.64846283165809 10.811 30 B 0.00000000000000 0.04243550146992 0.87218437209637 10.811 31 B 0.00000000000000 0.96430634087266 0.35153716834191 10.811 32 B 0.16172949297605 0.00000000000000 0.00000000000000 10.811 *33 O 0.09630523359204 0.16607245460372 0.92446164127384 15.999 *34 O 0.76681654152219 0.19588973332963 0.06387042269419 15.999 35 O 0.26681654152219 0.19588973332963 0.43612957730581 15.999 *36 O 0.00000000000000 0.26498787361132 0.14139867078294 15.999 *37 O 0.70394009964084 0.28064857641918 0.84805747161780 15.999 38 O 0.73318345847781 0.80411026667037 0.56387042269419 15.999 39 O 0.79605990035916 0.28064857641918 0.65194252838220 15.999 40 O 0.50000000000000 0.26498787361132 0.35860132921706 15.999 41 O 0.40369476640796 0.16607245460372 0.57553835872616 15.999 42 O 0.00000000000000 0.73501212638868 0.85860132921706 15.999 *43 O 0.50000000000000 0.25899391012208 0.93215056047246 15.999 44 O 0.70394009964084 0.71935142358082 0.15194252838220 15.999 45 O 0.26681654152219 0.80411026667037 0.56387042269419 15.999 46 O 0.00000000000000 0.74100608987792 0.43215056047246 15.999 47 O 0.00000000000000 0.25899391012208 0.56784943952754 15.999 48 O 0.20394009964084 0.71935142358082 0.34805747161780 15.999 49 O 0.50000000000000 0.74100608987792 0.06784943952754 15.999 50 O 0.50000000000000 0.73501212638868 0.64139867078294 15.999 *51 O 0.09483162820438 0.16533539272332 0.35557246133396 15.999 *52 O 0.75000000000000 0.16443712275979 0.25000000000000 15.999 53 O 0.40369476640796 0.83392754539628 0.42446164127384 15.999 54 O 0.40516837179561 0.83466460727668 0.85557246133396 15.999 55 O 0.76681654152219 0.80411026667037 0.93612957730581 15.999 56 O 0.90369476640796 0.16607245460372 0.92446164127384 15.999 57 O 0.59483162820438 0.83466460727668 0.85557246133396 15.999 58 O 0.59483162820438 0.16533539272332 0.14442753866604 15.999 59 O 0.23318345847781 0.19588973332963 0.06387042269419 15.999 60 O 0.73318345847781 0.19588973332963 0.43612957730581 15.999 61 O 0.90369476640796 0.83392754539628 0.07553835872616 15.999 *62 O 0.50000000000000 0.19817165128299 0.73996718363694 15.999 63 O 0.23318345847781 0.80411026667037 0.93612957730581 15.999 64 O 0.29605990035916 0.71935142358082 0.15194252838220 15.999 65 O 0.20394009964084 0.28064857641918 0.65194252838220 15.999 66 O 0.75000000000000 0.83556287724021 0.75000000000000 15.999 67 O 0.59630523359204 0.83392754539628 0.42446164127384 15.999 68 O 0.40516837179561 0.16533539272332 0.14442753866604 15.999 69 O 0.00000000000000 0.80182834871701 0.23996718363694 15.999 70 O 0.09483162820438 0.83466460727668 0.64442753866604 15.999 71 O 0.90516837179562 0.16533539272332 0.35557246133396 15.999 72 O 0.25000000000000 0.83556287724021 0.75000000000000 15.999 73 O 0.50000000000000 0.80182834871701 0.26003281636307 15.999 74 O 0.79605990035916 0.71935142358082 0.34805747161780 15.999 75 O 0.25000000000000 0.16443712275979 0.25000000000000 15.999 76 O 0.90516837179562 0.83466460727668 0.64442753866604 15.999 77 O 0.29605990035916 0.28064857641918 0.84805747161780 15.999 78 O 0.09630523359204 0.83392754539628 0.07553835872616 15.999 79 O 0.59630523359204 0.16607245460372 0.57553835872616 15.999 80 O 0.00000000000000 0.19817165128299 0.76003281636306 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.675546600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.531658360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.352797850000004 Atomic positions (fractional): *1 Lu 0.63549994485123 0.49591126885782 0.69441743466327 174.967 > 1 *2 Lu 0.86815737414951 0.50000000000000 0.50000000000000 174.967 > 2 3 Lu 0.63184262585049 0.50000000000000 0.00000000000000 174.967 > 3 4 Lu 0.13184262585049 0.50000000000000 0.50000000000000 174.967 > 4 5 Lu 0.13549994485123 0.49591126885782 0.80558256533673 174.967 > 5 6 Lu 0.36815737414951 0.50000000000000 0.00000000000000 174.967 > 6 7 Lu 0.63549994485123 0.50408873114218 0.30558256533673 174.967 > 7 8 Lu 0.36450005514877 0.50408873114218 0.30558256533673 174.967 > 8 9 Lu 0.86450005514877 0.49591126885782 0.80558256533673 174.967 > 9 10 Lu 0.13549994485123 0.50408873114218 0.19441743466327 174.967 > 10 11 Lu 0.36450005514877 0.49591126885782 0.69441743466327 174.967 > 11 12 Lu 0.86450005514877 0.50408873114218 0.19441743466327 174.967 > 12 *13 B 0.00000000000000 0.95756449853008 0.12781562790363 10.811 > 13 *14 B 0.29791852997635 0.03466231984913 0.15048931443640 10.811 > 14 15 B 0.70208147002365 0.96533768015087 0.84951068556360 10.811 > 15 *16 B 0.33827050702395 0.00000000000000 0.50000000000000 10.811 > 16 17 B 0.50000000000000 0.95756449853008 0.37218437209637 10.811 > 17 18 B 0.83827050702395 0.00000000000000 0.00000000000000 10.811 > 18 19 B 0.20208147002365 0.03466231984913 0.34951068556360 10.811 > 19 20 B 0.29791852997635 0.96533768015087 0.84951068556360 10.811 > 20 21 B 0.79791852997635 0.96533768015087 0.65048931443640 10.811 > 21 22 B 0.20208147002365 0.96533768015087 0.65048931443640 10.811 > 22 *23 B 0.50000000000000 0.03569365912734 0.85153716834191 10.811 > 23 24 B 0.79791852997635 0.03466231984913 0.34951068556360 10.811 > 24 25 B 0.50000000000000 0.04243550146992 0.62781562790363 10.811 > 25 26 B 0.66172949297605 0.00000000000000 0.50000000000000 10.811 > 26 27 B 0.50000000000000 0.96430634087266 0.14846283165809 10.811 > 27 28 B 0.70208147002365 0.03466231984913 0.15048931443640 10.811 > 28 29 B 0.00000000000000 0.03569365912734 0.64846283165809 10.811 > 29 30 B 0.00000000000000 0.04243550146992 0.87218437209637 10.811 > 30 31 B 0.00000000000000 0.96430634087266 0.35153716834191 10.811 > 31 32 B 0.16172949297605 0.00000000000000 0.00000000000000 10.811 > 32 *33 O 0.09630523359204 0.16607245460372 0.92446164127384 15.999 > 33 *34 O 0.76681654152219 0.19588973332963 0.06387042269419 15.999 > 34 35 O 0.26681654152219 0.19588973332963 0.43612957730581 15.999 > 35 *36 O 0.00000000000000 0.26498787361132 0.14139867078294 15.999 > 36 *37 O 0.70394009964084 0.28064857641918 0.84805747161780 15.999 > 37 38 O 0.73318345847781 0.80411026667037 0.56387042269419 15.999 > 38 39 O 0.79605990035916 0.28064857641918 0.65194252838220 15.999 > 39 40 O 0.50000000000000 0.26498787361132 0.35860132921706 15.999 > 40 41 O 0.40369476640796 0.16607245460372 0.57553835872616 15.999 > 41 42 O 0.00000000000000 0.73501212638868 0.85860132921706 15.999 > 42 *43 O 0.50000000000000 0.25899391012208 0.93215056047246 15.999 > 43 44 O 0.70394009964084 0.71935142358082 0.15194252838220 15.999 > 44 45 O 0.26681654152219 0.80411026667037 0.56387042269419 15.999 > 45 46 O 0.00000000000000 0.74100608987792 0.43215056047246 15.999 > 46 47 O 0.00000000000000 0.25899391012208 0.56784943952754 15.999 > 47 48 O 0.20394009964084 0.71935142358082 0.34805747161780 15.999 > 48 49 O 0.50000000000000 0.74100608987792 0.06784943952754 15.999 > 49 50 O 0.50000000000000 0.73501212638868 0.64139867078294 15.999 > 50 *51 O 0.09483162820438 0.16533539272332 0.35557246133396 15.999 > 51 *52 O 0.75000000000000 0.16443712275979 0.25000000000000 15.999 > 52 53 O 0.40369476640796 0.83392754539628 0.42446164127384 15.999 > 53 54 O 0.40516837179561 0.83466460727668 0.85557246133396 15.999 > 54 55 O 0.76681654152219 0.80411026667037 0.93612957730581 15.999 > 55 56 O 0.90369476640796 0.16607245460372 0.92446164127384 15.999 > 56 57 O 0.59483162820438 0.83466460727668 0.85557246133396 15.999 > 57 58 O 0.59483162820438 0.16533539272332 0.14442753866604 15.999 > 58 59 O 0.23318345847781 0.19588973332963 0.06387042269419 15.999 > 59 60 O 0.73318345847781 0.19588973332963 0.43612957730581 15.999 > 60 61 O 0.90369476640796 0.83392754539628 0.07553835872616 15.999 > 61 *62 O 0.50000000000000 0.19817165128299 0.73996718363694 15.999 > 62 63 O 0.23318345847781 0.80411026667037 0.93612957730581 15.999 > 63 64 O 0.29605990035916 0.71935142358082 0.15194252838220 15.999 > 64 65 O 0.20394009964084 0.28064857641918 0.65194252838220 15.999 > 65 66 O 0.75000000000000 0.83556287724021 0.75000000000000 15.999 > 66 67 O 0.59630523359204 0.83392754539628 0.42446164127384 15.999 > 67 68 O 0.40516837179561 0.16533539272332 0.14442753866604 15.999 > 68 69 O 0.00000000000000 0.80182834871701 0.23996718363694 15.999 > 69 70 O 0.09483162820438 0.83466460727668 0.64442753866604 15.999 > 70 71 O 0.90516837179562 0.16533539272332 0.35557246133396 15.999 > 71 72 O 0.25000000000000 0.83556287724021 0.75000000000000 15.999 > 72 73 O 0.50000000000000 0.80182834871701 0.26003281636307 15.999 > 73 74 O 0.79605990035916 0.71935142358082 0.34805747161780 15.999 > 74 75 O 0.25000000000000 0.16443712275979 0.25000000000000 15.999 > 75 76 O 0.90516837179562 0.83466460727668 0.64442753866604 15.999 > 76 77 O 0.29605990035916 0.28064857641918 0.84805747161780 15.999 > 77 78 O 0.09630523359204 0.83392754539628 0.07553835872616 15.999 > 78 79 O 0.59630523359204 0.16607245460372 0.57553835872616 15.999 > 79 80 O 0.00000000000000 0.19817165128299 0.76003281636306 15.999 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.675546600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.531658360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.352797850000004 Atomic positions (fractional): *1 Lu 0.63549994485123 0.49591126885782 0.69441743466327 174.967 > 1 *2 Lu 0.86815737414951 0.50000000000000 0.50000000000000 174.967 > 2 3 Lu 0.63184262585049 0.50000000000000 0.00000000000000 174.967 > 3 4 Lu 0.13184262585049 0.50000000000000 0.50000000000000 174.967 > 4 5 Lu 0.13549994485123 0.49591126885782 0.80558256533673 174.967 > 5 6 Lu 0.36815737414951 0.50000000000000 0.00000000000000 174.967 > 6 7 Lu 0.63549994485123 0.50408873114218 0.30558256533673 174.967 > 7 8 Lu 0.36450005514877 0.50408873114218 0.30558256533673 174.967 > 8 9 Lu 0.86450005514877 0.49591126885782 0.80558256533673 174.967 > 9 10 Lu 0.13549994485123 0.50408873114218 0.19441743466327 174.967 > 10 11 Lu 0.36450005514877 0.49591126885782 0.69441743466327 174.967 > 11 12 Lu 0.86450005514877 0.50408873114218 0.19441743466327 174.967 > 12 *13 B 0.00000000000000 0.95756449853008 0.12781562790363 10.811 > 13 *14 B 0.29791852997635 0.03466231984913 0.15048931443640 10.811 > 14 15 B 0.70208147002365 0.96533768015087 0.84951068556360 10.811 > 15 *16 B 0.33827050702395 0.00000000000000 0.50000000000000 10.811 > 16 17 B 0.50000000000000 0.95756449853008 0.37218437209637 10.811 > 17 18 B 0.83827050702395 0.00000000000000 0.00000000000000 10.811 > 18 19 B 0.20208147002365 0.03466231984913 0.34951068556360 10.811 > 19 20 B 0.29791852997635 0.96533768015087 0.84951068556360 10.811 > 20 21 B 0.79791852997635 0.96533768015087 0.65048931443640 10.811 > 21 22 B 0.20208147002365 0.96533768015087 0.65048931443640 10.811 > 22 *23 B 0.50000000000000 0.03569365912734 0.85153716834191 10.811 > 23 24 B 0.79791852997635 0.03466231984913 0.34951068556360 10.811 > 24 25 B 0.50000000000000 0.04243550146992 0.62781562790363 10.811 > 25 26 B 0.66172949297605 0.00000000000000 0.50000000000000 10.811 > 26 27 B 0.50000000000000 0.96430634087266 0.14846283165809 10.811 > 27 28 B 0.70208147002365 0.03466231984913 0.15048931443640 10.811 > 28 29 B 0.00000000000000 0.03569365912734 0.64846283165809 10.811 > 29 30 B 0.00000000000000 0.04243550146992 0.87218437209637 10.811 > 30 31 B 0.00000000000000 0.96430634087266 0.35153716834191 10.811 > 31 32 B 0.16172949297605 0.00000000000000 0.00000000000000 10.811 > 32 *33 O 0.09630523359204 0.16607245460372 0.92446164127384 15.999 > 33 *34 O 0.76681654152219 0.19588973332963 0.06387042269419 15.999 > 34 35 O 0.26681654152219 0.19588973332963 0.43612957730581 15.999 > 35 *36 O 0.00000000000000 0.26498787361132 0.14139867078294 15.999 > 36 *37 O 0.70394009964084 0.28064857641918 0.84805747161780 15.999 > 37 38 O 0.73318345847781 0.80411026667037 0.56387042269419 15.999 > 38 39 O 0.79605990035916 0.28064857641918 0.65194252838220 15.999 > 39 40 O 0.50000000000000 0.26498787361132 0.35860132921706 15.999 > 40 41 O 0.40369476640796 0.16607245460372 0.57553835872616 15.999 > 41 42 O 0.00000000000000 0.73501212638868 0.85860132921706 15.999 > 42 *43 O 0.50000000000000 0.25899391012208 0.93215056047246 15.999 > 43 44 O 0.70394009964084 0.71935142358082 0.15194252838220 15.999 > 44 45 O 0.26681654152219 0.80411026667037 0.56387042269419 15.999 > 45 46 O 0.00000000000000 0.74100608987792 0.43215056047246 15.999 > 46 47 O 0.00000000000000 0.25899391012208 0.56784943952754 15.999 > 47 48 O 0.20394009964084 0.71935142358082 0.34805747161780 15.999 > 48 49 O 0.50000000000000 0.74100608987792 0.06784943952754 15.999 > 49 50 O 0.50000000000000 0.73501212638868 0.64139867078294 15.999 > 50 *51 O 0.09483162820438 0.16533539272332 0.35557246133396 15.999 > 51 *52 O 0.75000000000000 0.16443712275979 0.25000000000000 15.999 > 52 53 O 0.40369476640796 0.83392754539628 0.42446164127384 15.999 > 53 54 O 0.40516837179561 0.83466460727668 0.85557246133396 15.999 > 54 55 O 0.76681654152219 0.80411026667037 0.93612957730581 15.999 > 55 56 O 0.90369476640796 0.16607245460372 0.92446164127384 15.999 > 56 57 O 0.59483162820438 0.83466460727668 0.85557246133396 15.999 > 57 58 O 0.59483162820438 0.16533539272332 0.14442753866604 15.999 > 58 59 O 0.23318345847781 0.19588973332963 0.06387042269419 15.999 > 59 60 O 0.73318345847781 0.19588973332963 0.43612957730581 15.999 > 60 61 O 0.90369476640796 0.83392754539628 0.07553835872616 15.999 > 61 *62 O 0.50000000000000 0.19817165128299 0.73996718363694 15.999 > 62 63 O 0.23318345847781 0.80411026667037 0.93612957730581 15.999 > 63 64 O 0.29605990035916 0.71935142358082 0.15194252838220 15.999 > 64 65 O 0.20394009964084 0.28064857641918 0.65194252838220 15.999 > 65 66 O 0.75000000000000 0.83556287724021 0.75000000000000 15.999 > 66 67 O 0.59630523359204 0.83392754539628 0.42446164127384 15.999 > 67 68 O 0.40516837179561 0.16533539272332 0.14442753866604 15.999 > 68 69 O 0.00000000000000 0.80182834871701 0.23996718363694 15.999 > 69 70 O 0.09483162820438 0.83466460727668 0.64442753866604 15.999 > 70 71 O 0.90516837179562 0.16533539272332 0.35557246133396 15.999 > 71 72 O 0.25000000000000 0.83556287724021 0.75000000000000 15.999 > 72 73 O 0.50000000000000 0.80182834871701 0.26003281636307 15.999 > 73 74 O 0.79605990035916 0.71935142358082 0.34805747161780 15.999 > 74 75 O 0.25000000000000 0.16443712275979 0.25000000000000 15.999 > 75 76 O 0.90516837179562 0.83466460727668 0.64442753866604 15.999 > 76 77 O 0.29605990035916 0.28064857641918 0.84805747161780 15.999 > 77 78 O 0.09630523359204 0.83392754539628 0.07553835872616 15.999 > 78 79 O 0.59630523359204 0.16607245460372 0.57553835872616 15.999 > 79 80 O 0.00000000000000 0.19817165128299 0.76003281636306 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6387452 0.0000000 0.0000000 0.0000000 3.6162646 0.0000000 0.0000000 0.0000000 3.4559681 -------------------------- Born effective charges -------------------------- 1 Lu 3.9379149 0.0408145 0.2165624 0.0111625 3.8260720 0.1333522 0.1309030 0.1282238 3.1681325 2 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 -0.0372010 0.0000000 -0.1069064 3.7212633 3 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 0.0372010 0.0000000 0.1069064 3.7212633 4 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 -0.0372010 0.0000000 -0.1069064 3.7212633 5 Lu 3.9379149 0.0408145 -0.2165624 0.0111625 3.8260720 -0.1333522 -0.1309030 -0.1282238 3.1681325 6 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 0.0372010 0.0000000 0.1069064 3.7212633 7 Lu 3.9379149 -0.0408145 -0.2165624 -0.0111625 3.8260720 0.1333522 -0.1309030 0.1282238 3.1681325 8 Lu 3.9379149 0.0408145 0.2165624 0.0111625 3.8260720 0.1333522 0.1309030 0.1282238 3.1681325 9 Lu 3.9379149 -0.0408145 0.2165624 -0.0111625 3.8260720 -0.1333522 0.1309030 -0.1282238 3.1681325 10 Lu 3.9379149 -0.0408145 0.2165624 -0.0111625 3.8260720 -0.1333522 0.1309030 -0.1282238 3.1681325 11 Lu 3.9379149 -0.0408145 -0.2165624 -0.0111625 3.8260720 0.1333522 -0.1309030 0.1282238 3.1681325 12 Lu 3.9379149 0.0408145 -0.2165624 0.0111625 3.8260720 -0.1333522 -0.1309030 -0.1282238 3.1681325 13 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 -0.0227332 0.0000000 0.1631311 2.1938085 14 B 2.3205705 -0.0691491 -0.0596126 -0.1143411 2.6540896 0.0647505 -0.0500429 -0.0577999 2.1758072 15 B 2.3205705 -0.0691491 -0.0596126 -0.1143411 2.6540896 0.0647505 -0.0500429 -0.0577999 2.1758072 16 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 -0.0218905 0.0000000 0.1089721 3.0566166 17 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 0.0227332 0.0000000 -0.1631311 2.1938085 18 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 0.0218905 0.0000000 -0.1089721 3.0566166 19 B 2.3205705 0.0691491 -0.0596126 0.1143411 2.6540896 -0.0647505 -0.0500429 0.0577999 2.1758072 20 B 2.3205705 0.0691491 0.0596126 0.1143411 2.6540896 0.0647505 0.0500429 -0.0577999 2.1758072 21 B 2.3205705 0.0691491 -0.0596126 0.1143411 2.6540896 -0.0647505 -0.0500429 0.0577999 2.1758072 22 B 2.3205705 -0.0691491 0.0596126 -0.1143411 2.6540896 -0.0647505 0.0500429 0.0577999 2.1758072 23 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 0.1689441 0.0000000 0.1209205 2.6449480 24 B 2.3205705 -0.0691491 0.0596126 -0.1143411 2.6540896 -0.0647505 0.0500429 0.0577999 2.1758072 25 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 0.0227332 0.0000000 -0.1631311 2.1938085 26 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 -0.0218905 0.0000000 0.1089721 3.0566166 27 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 0.1689441 0.0000000 0.1209205 2.6449480 28 B 2.3205705 0.0691491 0.0596126 0.1143411 2.6540896 0.0647505 0.0500429 -0.0577999 2.1758072 29 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 -0.1689441 0.0000000 -0.1209205 2.6449480 30 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 -0.0227332 0.0000000 0.1631311 2.1938085 31 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 -0.1689441 0.0000000 -0.1209205 2.6449480 32 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 0.0218905 0.0000000 -0.1089721 3.0566166 33 O -2.0631981 -0.1269879 -0.5529962 -0.1126254 -1.6959636 0.5335886 -0.5610026 0.4966966 -2.0280788 34 O -1.9486525 0.1833710 0.2497375 0.1881210 -1.7693679 -0.1122690 0.3045502 -0.0339237 -1.9810586 35 O -1.9486525 0.1833710 -0.2497375 0.1881210 -1.7693679 0.1122690 -0.3045502 0.0339237 -1.9810586 36 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 -0.4311065 0.0000000 -0.3647296 -1.1836814 37 O -1.7324741 -0.0101729 0.1447717 -0.0091374 -2.4845313 0.0690260 0.1180746 0.0665847 -1.7939297 38 O -1.9486525 0.1833710 -0.2497375 0.1881210 -1.7693679 0.1122690 -0.3045502 0.0339237 -1.9810586 39 O -1.7324741 0.0101729 0.1447717 0.0091374 -2.4845313 -0.0690260 0.1180746 -0.0665847 -1.7939297 40 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 0.4311065 0.0000000 0.3647296 -1.1836814 41 O -2.0631981 0.1269879 -0.5529962 0.1126254 -1.6959636 -0.5335886 -0.5610026 -0.4966966 -2.0280788 42 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 -0.4311065 0.0000000 -0.3647296 -1.1836814 43 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 -0.8032239 0.0000000 -0.8484804 -1.9275950 44 O -1.7324741 0.0101729 -0.1447717 0.0091374 -2.4845313 0.0690260 -0.1180746 0.0665847 -1.7939297 45 O -1.9486525 -0.1833710 0.2497375 -0.1881210 -1.7693679 0.1122690 0.3045502 0.0339237 -1.9810586 46 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 0.8032239 0.0000000 0.8484804 -1.9275950 47 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 0.8032239 0.0000000 0.8484804 -1.9275950 48 O -1.7324741 0.0101729 0.1447717 0.0091374 -2.4845313 -0.0690260 0.1180746 -0.0665847 -1.7939297 49 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 -0.8032239 0.0000000 -0.8484804 -1.9275950 50 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 0.4311065 0.0000000 0.3647296 -1.1836814 51 O -2.3138705 -0.1925137 -0.0058718 -0.2980835 -1.8471378 -0.0615745 0.0461138 -0.1095939 -1.5007953 52 O -1.7990043 0.0000000 -0.3775343 0.0000000 -1.9013932 0.0000000 -0.3484191 0.0000000 -2.2591342 53 O -2.0631981 -0.1269879 0.5529962 -0.1126254 -1.6959636 -0.5335886 0.5610026 -0.4966966 -2.0280788 54 O -2.3138705 -0.1925137 0.0058718 -0.2980835 -1.8471378 0.0615745 -0.0461138 0.1095939 -1.5007953 55 O -1.9486525 -0.1833710 -0.2497375 -0.1881210 -1.7693679 -0.1122690 -0.3045502 -0.0339237 -1.9810586 56 O -2.0631981 0.1269879 0.5529962 0.1126254 -1.6959636 0.5335886 0.5610026 0.4966966 -2.0280788 57 O -2.3138705 0.1925137 -0.0058718 0.2980835 -1.8471378 0.0615745 0.0461138 0.1095939 -1.5007953 58 O -2.3138705 -0.1925137 0.0058718 -0.2980835 -1.8471378 0.0615745 -0.0461138 0.1095939 -1.5007953 59 O -1.9486525 -0.1833710 -0.2497375 -0.1881210 -1.7693679 -0.1122690 -0.3045502 -0.0339237 -1.9810586 60 O -1.9486525 -0.1833710 0.2497375 -0.1881210 -1.7693679 0.1122690 0.3045502 0.0339237 -1.9810586 61 O -2.0631981 -0.1269879 -0.5529962 -0.1126254 -1.6959636 0.5335886 -0.5610026 0.4966966 -2.0280788 62 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 0.0685575 0.0000000 0.2324626 -2.3263803 63 O -1.9486525 0.1833710 0.2497375 0.1881210 -1.7693679 -0.1122690 0.3045502 -0.0339237 -1.9810586 64 O -1.7324741 -0.0101729 0.1447717 -0.0091374 -2.4845313 0.0690260 0.1180746 0.0665847 -1.7939297 65 O -1.7324741 -0.0101729 -0.1447717 -0.0091374 -2.4845313 -0.0690260 -0.1180746 -0.0665847 -1.7939297 66 O -1.7990043 0.0000000 0.3775343 0.0000000 -1.9013932 0.0000000 0.3484191 0.0000000 -2.2591342 67 O -2.0631981 0.1269879 -0.5529962 0.1126254 -1.6959636 -0.5335886 -0.5610026 -0.4966966 -2.0280788 68 O -2.3138705 0.1925137 -0.0058718 0.2980835 -1.8471378 0.0615745 0.0461138 0.1095939 -1.5007953 69 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 -0.0685575 0.0000000 -0.2324626 -2.3263803 70 O -2.3138705 0.1925137 0.0058718 0.2980835 -1.8471378 -0.0615745 -0.0461138 -0.1095939 -1.5007953 71 O -2.3138705 0.1925137 0.0058718 0.2980835 -1.8471378 -0.0615745 -0.0461138 -0.1095939 -1.5007953 72 O -1.7990043 0.0000000 -0.3775343 0.0000000 -1.9013932 0.0000000 -0.3484191 0.0000000 -2.2591342 73 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 0.0685575 0.0000000 0.2324626 -2.3263803 74 O -1.7324741 -0.0101729 -0.1447717 -0.0091374 -2.4845313 -0.0690260 -0.1180746 -0.0665847 -1.7939297 75 O -1.7990043 0.0000000 0.3775343 0.0000000 -1.9013932 0.0000000 0.3484191 0.0000000 -2.2591342 76 O -2.3138705 -0.1925137 -0.0058718 -0.2980835 -1.8471378 -0.0615745 0.0461138 -0.1095939 -1.5007953 77 O -1.7324741 0.0101729 -0.1447717 0.0091374 -2.4845313 0.0690260 -0.1180746 0.0665847 -1.7939297 78 O -2.0631981 0.1269879 0.5529962 0.1126254 -1.6959636 0.5335886 0.5610026 0.4966966 -2.0280788 79 O -2.0631981 -0.1269879 0.5529962 -0.1126254 -1.6959636 -0.5335886 0.5610026 -0.4966966 -2.0280788 80 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 -0.0685575 0.0000000 -0.2324626 -2.3263803 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3750 Number of blocks in projector: 3750 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: 856 Use submatrix version of eigh solver. (1) Block: 500 / 856 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 856 / 856 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 744 Use submatrix version of eigh solver. (1) Block: 500 / 744 (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: 744 / 744 (1) 232 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 740 Use submatrix version of eigh solver. (1) Block: 500 / 740 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 740 / 740 (1) 230 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 470 Use standard eigh solver. Tree of FC basis block matrices: - (3750, 3656), data: False |-- (470, 456), data: True |-- (470, 456), data: True |-- (470, 456), data: True |-- (740, 728), data: False |-- (740, 10), data: (740, 22) @ (22, 10) |-- (240, 230), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (744, 730), data: False |-- (744, 12), data: (744, 26) @ (26, 12) |-- (244, 232), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (856, 830), data: False |-- (856, 24), data: (856, 50) @ (50, 24) |-- (356, 332), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 224), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.772 Solver_block: 200 / 1200 - Time: 0.648 Solver_block: 300 / 1200 - Time: 0.644 Solver_block: 400 / 1200 - Time: 0.648 Solver_block: 500 / 1200 - Time: 0.641 Solver_block: 600 / 1200 - Time: 0.643 Solver_block: 700 / 1200 - Time: 0.643 Solver_block: 800 / 1200 - Time: 0.649 Solver_block: 900 / 1200 - Time: 0.632 Solver_block: 1000 / 1200 - Time: 0.639 Solver_block: 1100 / 1200 - Time: 0.640 Solver_block: 1200 / 1200 - Time: 0.636 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.013 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3750 Number of blocks in projector: 3750 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: 856 Use submatrix version of eigh solver. (1) Block: 500 / 856 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 856 / 856 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 744 Use submatrix version of eigh solver. (1) Block: 500 / 744 (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: 744 / 744 (1) 232 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 740 Use submatrix version of eigh solver. (1) Block: 500 / 740 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 740 / 740 (1) 230 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 470 Use standard eigh solver. Tree of FC basis block matrices: - (3750, 3656), data: False |-- (470, 456), data: True |-- (470, 456), data: True |-- (470, 456), data: True |-- (740, 728), data: False |-- (740, 10), data: (740, 22) @ (22, 10) |-- (240, 230), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (744, 730), data: False |-- (744, 12), data: (744, 26) @ (26, 12) |-- (244, 232), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (856, 830), data: False |-- (856, 24), data: (856, 50) @ (50, 24) |-- (356, 332), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 224), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:02:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:02:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.675546600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.531658360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.352797850000004 Atomic positions (fractional): 1 Lu 0.63549994485123 0.49591126885782 0.69441743466327 174.967 2 Lu 0.86815737414951 0.50000000000000 0.50000000000000 174.967 3 Lu 0.63184262585049 0.50000000000000 0.00000000000000 174.967 4 Lu 0.13184262585049 0.50000000000000 0.50000000000000 174.967 5 Lu 0.13549994485123 0.49591126885782 0.80558256533673 174.967 6 Lu 0.36815737414951 0.50000000000000 0.00000000000000 174.967 7 Lu 0.63549994485123 0.50408873114218 0.30558256533673 174.967 8 Lu 0.36450005514877 0.50408873114218 0.30558256533673 174.967 9 Lu 0.86450005514877 0.49591126885782 0.80558256533673 174.967 10 Lu 0.13549994485123 0.50408873114218 0.19441743466327 174.967 11 Lu 0.36450005514877 0.49591126885782 0.69441743466327 174.967 12 Lu 0.86450005514877 0.50408873114218 0.19441743466327 174.967 13 B 0.00000000000000 0.95756449853008 0.12781562790363 10.811 14 B 0.29791852997635 0.03466231984913 0.15048931443640 10.811 15 B 0.70208147002365 0.96533768015087 0.84951068556360 10.811 16 B 0.33827050702395 0.00000000000000 0.50000000000000 10.811 17 B 0.50000000000000 0.95756449853008 0.37218437209637 10.811 18 B 0.83827050702395 0.00000000000000 0.00000000000000 10.811 19 B 0.20208147002365 0.03466231984913 0.34951068556360 10.811 20 B 0.29791852997635 0.96533768015087 0.84951068556360 10.811 21 B 0.79791852997635 0.96533768015087 0.65048931443640 10.811 22 B 0.20208147002365 0.96533768015087 0.65048931443640 10.811 23 B 0.50000000000000 0.03569365912734 0.85153716834191 10.811 24 B 0.79791852997635 0.03466231984913 0.34951068556360 10.811 25 B 0.50000000000000 0.04243550146992 0.62781562790363 10.811 26 B 0.66172949297605 0.00000000000000 0.50000000000000 10.811 27 B 0.50000000000000 0.96430634087266 0.14846283165809 10.811 28 B 0.70208147002365 0.03466231984913 0.15048931443640 10.811 29 B 0.00000000000000 0.03569365912734 0.64846283165809 10.811 30 B 0.00000000000000 0.04243550146992 0.87218437209637 10.811 31 B 0.00000000000000 0.96430634087266 0.35153716834191 10.811 32 B 0.16172949297605 0.00000000000000 0.00000000000000 10.811 33 O 0.09630523359204 0.16607245460372 0.92446164127384 15.999 34 O 0.76681654152219 0.19588973332963 0.06387042269419 15.999 35 O 0.26681654152219 0.19588973332963 0.43612957730581 15.999 36 O 0.00000000000000 0.26498787361132 0.14139867078294 15.999 37 O 0.70394009964084 0.28064857641918 0.84805747161780 15.999 38 O 0.73318345847781 0.80411026667037 0.56387042269419 15.999 39 O 0.79605990035916 0.28064857641918 0.65194252838220 15.999 40 O 0.50000000000000 0.26498787361132 0.35860132921706 15.999 41 O 0.40369476640796 0.16607245460372 0.57553835872616 15.999 42 O 0.00000000000000 0.73501212638868 0.85860132921706 15.999 43 O 0.50000000000000 0.25899391012208 0.93215056047246 15.999 44 O 0.70394009964084 0.71935142358082 0.15194252838220 15.999 45 O 0.26681654152219 0.80411026667037 0.56387042269419 15.999 46 O 0.00000000000000 0.74100608987792 0.43215056047246 15.999 47 O 0.00000000000000 0.25899391012208 0.56784943952754 15.999 48 O 0.20394009964084 0.71935142358082 0.34805747161780 15.999 49 O 0.50000000000000 0.74100608987792 0.06784943952754 15.999 50 O 0.50000000000000 0.73501212638868 0.64139867078294 15.999 51 O 0.09483162820438 0.16533539272332 0.35557246133396 15.999 52 O 0.75000000000000 0.16443712275979 0.25000000000000 15.999 53 O 0.40369476640796 0.83392754539628 0.42446164127384 15.999 54 O 0.40516837179561 0.83466460727668 0.85557246133396 15.999 55 O 0.76681654152219 0.80411026667037 0.93612957730581 15.999 56 O 0.90369476640796 0.16607245460372 0.92446164127384 15.999 57 O 0.59483162820438 0.83466460727668 0.85557246133396 15.999 58 O 0.59483162820438 0.16533539272332 0.14442753866604 15.999 59 O 0.23318345847781 0.19588973332963 0.06387042269419 15.999 60 O 0.73318345847781 0.19588973332963 0.43612957730581 15.999 61 O 0.90369476640796 0.83392754539628 0.07553835872616 15.999 62 O 0.50000000000000 0.19817165128299 0.73996718363694 15.999 63 O 0.23318345847781 0.80411026667037 0.93612957730581 15.999 64 O 0.29605990035916 0.71935142358082 0.15194252838220 15.999 65 O 0.20394009964084 0.28064857641918 0.65194252838220 15.999 66 O 0.75000000000000 0.83556287724021 0.75000000000000 15.999 67 O 0.59630523359204 0.83392754539628 0.42446164127384 15.999 68 O 0.40516837179561 0.16533539272332 0.14442753866604 15.999 69 O 0.00000000000000 0.80182834871701 0.23996718363694 15.999 70 O 0.09483162820438 0.83466460727668 0.64442753866604 15.999 71 O 0.90516837179562 0.16533539272332 0.35557246133396 15.999 72 O 0.25000000000000 0.83556287724021 0.75000000000000 15.999 73 O 0.50000000000000 0.80182834871701 0.26003281636307 15.999 74 O 0.79605990035916 0.71935142358082 0.34805747161780 15.999 75 O 0.25000000000000 0.16443712275979 0.25000000000000 15.999 76 O 0.90516837179562 0.83466460727668 0.64442753866604 15.999 77 O 0.29605990035916 0.28064857641918 0.84805747161780 15.999 78 O 0.09630523359204 0.83392754539628 0.07553835872616 15.999 79 O 0.59630523359204 0.16607245460372 0.57553835872616 15.999 80 O 0.00000000000000 0.19817165128299 0.76003281636306 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.675546600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.531658360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.352797850000004 Atomic positions (fractional): 1 Lu 0.63549994485123 0.49591126885782 0.69441743466327 174.967 > 1 2 Lu 0.86815737414951 0.50000000000000 0.50000000000000 174.967 > 2 3 Lu 0.63184262585049 0.50000000000000 0.00000000000000 174.967 > 3 4 Lu 0.13184262585049 0.50000000000000 0.50000000000000 174.967 > 4 5 Lu 0.13549994485123 0.49591126885782 0.80558256533673 174.967 > 5 6 Lu 0.36815737414951 0.50000000000000 0.00000000000000 174.967 > 6 7 Lu 0.63549994485123 0.50408873114218 0.30558256533673 174.967 > 7 8 Lu 0.36450005514877 0.50408873114218 0.30558256533673 174.967 > 8 9 Lu 0.86450005514877 0.49591126885782 0.80558256533673 174.967 > 9 10 Lu 0.13549994485123 0.50408873114218 0.19441743466327 174.967 > 10 11 Lu 0.36450005514877 0.49591126885782 0.69441743466327 174.967 > 11 12 Lu 0.86450005514877 0.50408873114218 0.19441743466327 174.967 > 12 13 B 0.00000000000000 0.95756449853008 0.12781562790363 10.811 > 13 14 B 0.29791852997635 0.03466231984913 0.15048931443640 10.811 > 14 15 B 0.70208147002365 0.96533768015087 0.84951068556360 10.811 > 15 16 B 0.33827050702395 0.00000000000000 0.50000000000000 10.811 > 16 17 B 0.50000000000000 0.95756449853008 0.37218437209637 10.811 > 17 18 B 0.83827050702395 0.00000000000000 0.00000000000000 10.811 > 18 19 B 0.20208147002365 0.03466231984913 0.34951068556360 10.811 > 19 20 B 0.29791852997635 0.96533768015087 0.84951068556360 10.811 > 20 21 B 0.79791852997635 0.96533768015087 0.65048931443640 10.811 > 21 22 B 0.20208147002365 0.96533768015087 0.65048931443640 10.811 > 22 23 B 0.50000000000000 0.03569365912734 0.85153716834191 10.811 > 23 24 B 0.79791852997635 0.03466231984913 0.34951068556360 10.811 > 24 25 B 0.50000000000000 0.04243550146992 0.62781562790363 10.811 > 25 26 B 0.66172949297605 0.00000000000000 0.50000000000000 10.811 > 26 27 B 0.50000000000000 0.96430634087266 0.14846283165809 10.811 > 27 28 B 0.70208147002365 0.03466231984913 0.15048931443640 10.811 > 28 29 B 0.00000000000000 0.03569365912734 0.64846283165809 10.811 > 29 30 B 0.00000000000000 0.04243550146992 0.87218437209637 10.811 > 30 31 B 0.00000000000000 0.96430634087266 0.35153716834191 10.811 > 31 32 B 0.16172949297605 0.00000000000000 0.00000000000000 10.811 > 32 33 O 0.09630523359204 0.16607245460372 0.92446164127384 15.999 > 33 34 O 0.76681654152219 0.19588973332963 0.06387042269419 15.999 > 34 35 O 0.26681654152219 0.19588973332963 0.43612957730581 15.999 > 35 36 O 0.00000000000000 0.26498787361132 0.14139867078294 15.999 > 36 37 O 0.70394009964084 0.28064857641918 0.84805747161780 15.999 > 37 38 O 0.73318345847781 0.80411026667037 0.56387042269419 15.999 > 38 39 O 0.79605990035916 0.28064857641918 0.65194252838220 15.999 > 39 40 O 0.50000000000000 0.26498787361132 0.35860132921706 15.999 > 40 41 O 0.40369476640796 0.16607245460372 0.57553835872616 15.999 > 41 42 O 0.00000000000000 0.73501212638868 0.85860132921706 15.999 > 42 43 O 0.50000000000000 0.25899391012208 0.93215056047246 15.999 > 43 44 O 0.70394009964084 0.71935142358082 0.15194252838220 15.999 > 44 45 O 0.26681654152219 0.80411026667037 0.56387042269419 15.999 > 45 46 O 0.00000000000000 0.74100608987792 0.43215056047246 15.999 > 46 47 O 0.00000000000000 0.25899391012208 0.56784943952754 15.999 > 47 48 O 0.20394009964084 0.71935142358082 0.34805747161780 15.999 > 48 49 O 0.50000000000000 0.74100608987792 0.06784943952754 15.999 > 49 50 O 0.50000000000000 0.73501212638868 0.64139867078294 15.999 > 50 51 O 0.09483162820438 0.16533539272332 0.35557246133396 15.999 > 51 52 O 0.75000000000000 0.16443712275979 0.25000000000000 15.999 > 52 53 O 0.40369476640796 0.83392754539628 0.42446164127384 15.999 > 53 54 O 0.40516837179561 0.83466460727668 0.85557246133396 15.999 > 54 55 O 0.76681654152219 0.80411026667037 0.93612957730581 15.999 > 55 56 O 0.90369476640796 0.16607245460372 0.92446164127384 15.999 > 56 57 O 0.59483162820438 0.83466460727668 0.85557246133396 15.999 > 57 58 O 0.59483162820438 0.16533539272332 0.14442753866604 15.999 > 58 59 O 0.23318345847781 0.19588973332963 0.06387042269419 15.999 > 59 60 O 0.73318345847781 0.19588973332963 0.43612957730581 15.999 > 60 61 O 0.90369476640796 0.83392754539628 0.07553835872616 15.999 > 61 62 O 0.50000000000000 0.19817165128299 0.73996718363694 15.999 > 62 63 O 0.23318345847781 0.80411026667037 0.93612957730581 15.999 > 63 64 O 0.29605990035916 0.71935142358082 0.15194252838220 15.999 > 64 65 O 0.20394009964084 0.28064857641918 0.65194252838220 15.999 > 65 66 O 0.75000000000000 0.83556287724021 0.75000000000000 15.999 > 66 67 O 0.59630523359204 0.83392754539628 0.42446164127384 15.999 > 67 68 O 0.40516837179561 0.16533539272332 0.14442753866604 15.999 > 68 69 O 0.00000000000000 0.80182834871701 0.23996718363694 15.999 > 69 70 O 0.09483162820438 0.83466460727668 0.64442753866604 15.999 > 70 71 O 0.90516837179562 0.16533539272332 0.35557246133396 15.999 > 71 72 O 0.25000000000000 0.83556287724021 0.75000000000000 15.999 > 72 73 O 0.50000000000000 0.80182834871701 0.26003281636307 15.999 > 73 74 O 0.79605990035916 0.71935142358082 0.34805747161780 15.999 > 74 75 O 0.25000000000000 0.16443712275979 0.25000000000000 15.999 > 75 76 O 0.90516837179562 0.83466460727668 0.64442753866604 15.999 > 76 77 O 0.29605990035916 0.28064857641918 0.84805747161780 15.999 > 77 78 O 0.09630523359204 0.83392754539628 0.07553835872616 15.999 > 78 79 O 0.59630523359204 0.16607245460372 0.57553835872616 15.999 > 79 80 O 0.00000000000000 0.19817165128299 0.76003281636306 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6387452 0.0000000 0.0000000 0.0000000 3.6162646 0.0000000 0.0000000 0.0000000 3.4559681 -------------------------- Born effective charges -------------------------- 1 Lu 3.9379149 0.0408145 0.2165624 0.0111625 3.8260720 0.1333522 0.1309030 0.1282238 3.1681325 2 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 -0.0372010 0.0000000 -0.1069064 3.7212633 3 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 0.0372010 0.0000000 0.1069064 3.7212633 4 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 -0.0372010 0.0000000 -0.1069064 3.7212633 5 Lu 3.9379149 0.0408145 -0.2165624 0.0111625 3.8260720 -0.1333522 -0.1309030 -0.1282238 3.1681325 6 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 0.0372010 0.0000000 0.1069064 3.7212633 7 Lu 3.9379149 -0.0408145 -0.2165624 -0.0111625 3.8260720 0.1333522 -0.1309030 0.1282238 3.1681325 8 Lu 3.9379149 0.0408145 0.2165624 0.0111625 3.8260720 0.1333522 0.1309030 0.1282238 3.1681325 9 Lu 3.9379149 -0.0408145 0.2165624 -0.0111625 3.8260720 -0.1333522 0.1309030 -0.1282238 3.1681325 10 Lu 3.9379149 -0.0408145 0.2165624 -0.0111625 3.8260720 -0.1333522 0.1309030 -0.1282238 3.1681325 11 Lu 3.9379149 -0.0408145 -0.2165624 -0.0111625 3.8260720 0.1333522 -0.1309030 0.1282238 3.1681325 12 Lu 3.9379149 0.0408145 -0.2165624 0.0111625 3.8260720 -0.1333522 -0.1309030 -0.1282238 3.1681325 13 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 -0.0227332 0.0000000 0.1631311 2.1938085 14 B 2.3205705 -0.0691491 -0.0596126 -0.1143411 2.6540896 0.0647505 -0.0500429 -0.0577999 2.1758072 15 B 2.3205705 -0.0691491 -0.0596126 -0.1143411 2.6540896 0.0647505 -0.0500429 -0.0577999 2.1758072 16 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 -0.0218905 0.0000000 0.1089721 3.0566166 17 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 0.0227332 0.0000000 -0.1631311 2.1938085 18 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 0.0218905 0.0000000 -0.1089721 3.0566166 19 B 2.3205705 0.0691491 -0.0596126 0.1143411 2.6540896 -0.0647505 -0.0500429 0.0577999 2.1758072 20 B 2.3205705 0.0691491 0.0596126 0.1143411 2.6540896 0.0647505 0.0500429 -0.0577999 2.1758072 21 B 2.3205705 0.0691491 -0.0596126 0.1143411 2.6540896 -0.0647505 -0.0500429 0.0577999 2.1758072 22 B 2.3205705 -0.0691491 0.0596126 -0.1143411 2.6540896 -0.0647505 0.0500429 0.0577999 2.1758072 23 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 0.1689441 0.0000000 0.1209205 2.6449480 24 B 2.3205705 -0.0691491 0.0596126 -0.1143411 2.6540896 -0.0647505 0.0500429 0.0577999 2.1758072 25 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 0.0227332 0.0000000 -0.1631311 2.1938085 26 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 -0.0218905 0.0000000 0.1089721 3.0566166 27 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 0.1689441 0.0000000 0.1209205 2.6449480 28 B 2.3205705 0.0691491 0.0596126 0.1143411 2.6540896 0.0647505 0.0500429 -0.0577999 2.1758072 29 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 -0.1689441 0.0000000 -0.1209205 2.6449480 30 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 -0.0227332 0.0000000 0.1631311 2.1938085 31 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 -0.1689441 0.0000000 -0.1209205 2.6449480 32 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 0.0218905 0.0000000 -0.1089721 3.0566166 33 O -2.0631981 -0.1269879 -0.5529962 -0.1126254 -1.6959636 0.5335886 -0.5610026 0.4966966 -2.0280788 34 O -1.9486525 0.1833710 0.2497375 0.1881210 -1.7693679 -0.1122690 0.3045502 -0.0339237 -1.9810586 35 O -1.9486525 0.1833710 -0.2497375 0.1881210 -1.7693679 0.1122690 -0.3045502 0.0339237 -1.9810586 36 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 -0.4311065 0.0000000 -0.3647296 -1.1836814 37 O -1.7324741 -0.0101729 0.1447717 -0.0091374 -2.4845313 0.0690260 0.1180746 0.0665847 -1.7939297 38 O -1.9486525 0.1833710 -0.2497375 0.1881210 -1.7693679 0.1122690 -0.3045502 0.0339237 -1.9810586 39 O -1.7324741 0.0101729 0.1447717 0.0091374 -2.4845313 -0.0690260 0.1180746 -0.0665847 -1.7939297 40 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 0.4311065 0.0000000 0.3647296 -1.1836814 41 O -2.0631981 0.1269879 -0.5529962 0.1126254 -1.6959636 -0.5335886 -0.5610026 -0.4966966 -2.0280788 42 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 -0.4311065 0.0000000 -0.3647296 -1.1836814 43 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 -0.8032239 0.0000000 -0.8484804 -1.9275950 44 O -1.7324741 0.0101729 -0.1447717 0.0091374 -2.4845313 0.0690260 -0.1180746 0.0665847 -1.7939297 45 O -1.9486525 -0.1833710 0.2497375 -0.1881210 -1.7693679 0.1122690 0.3045502 0.0339237 -1.9810586 46 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 0.8032239 0.0000000 0.8484804 -1.9275950 47 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 0.8032239 0.0000000 0.8484804 -1.9275950 48 O -1.7324741 0.0101729 0.1447717 0.0091374 -2.4845313 -0.0690260 0.1180746 -0.0665847 -1.7939297 49 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 -0.8032239 0.0000000 -0.8484804 -1.9275950 50 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 0.4311065 0.0000000 0.3647296 -1.1836814 51 O -2.3138705 -0.1925137 -0.0058718 -0.2980835 -1.8471378 -0.0615745 0.0461138 -0.1095939 -1.5007953 52 O -1.7990043 0.0000000 -0.3775343 0.0000000 -1.9013932 0.0000000 -0.3484191 0.0000000 -2.2591342 53 O -2.0631981 -0.1269879 0.5529962 -0.1126254 -1.6959636 -0.5335886 0.5610026 -0.4966966 -2.0280788 54 O -2.3138705 -0.1925137 0.0058718 -0.2980835 -1.8471378 0.0615745 -0.0461138 0.1095939 -1.5007953 55 O -1.9486525 -0.1833710 -0.2497375 -0.1881210 -1.7693679 -0.1122690 -0.3045502 -0.0339237 -1.9810586 56 O -2.0631981 0.1269879 0.5529962 0.1126254 -1.6959636 0.5335886 0.5610026 0.4966966 -2.0280788 57 O -2.3138705 0.1925137 -0.0058718 0.2980835 -1.8471378 0.0615745 0.0461138 0.1095939 -1.5007953 58 O -2.3138705 -0.1925137 0.0058718 -0.2980835 -1.8471378 0.0615745 -0.0461138 0.1095939 -1.5007953 59 O -1.9486525 -0.1833710 -0.2497375 -0.1881210 -1.7693679 -0.1122690 -0.3045502 -0.0339237 -1.9810586 60 O -1.9486525 -0.1833710 0.2497375 -0.1881210 -1.7693679 0.1122690 0.3045502 0.0339237 -1.9810586 61 O -2.0631981 -0.1269879 -0.5529962 -0.1126254 -1.6959636 0.5335886 -0.5610026 0.4966966 -2.0280788 62 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 0.0685575 0.0000000 0.2324626 -2.3263803 63 O -1.9486525 0.1833710 0.2497375 0.1881210 -1.7693679 -0.1122690 0.3045502 -0.0339237 -1.9810586 64 O -1.7324741 -0.0101729 0.1447717 -0.0091374 -2.4845313 0.0690260 0.1180746 0.0665847 -1.7939297 65 O -1.7324741 -0.0101729 -0.1447717 -0.0091374 -2.4845313 -0.0690260 -0.1180746 -0.0665847 -1.7939297 66 O -1.7990043 0.0000000 0.3775343 0.0000000 -1.9013932 0.0000000 0.3484191 0.0000000 -2.2591342 67 O -2.0631981 0.1269879 -0.5529962 0.1126254 -1.6959636 -0.5335886 -0.5610026 -0.4966966 -2.0280788 68 O -2.3138705 0.1925137 -0.0058718 0.2980835 -1.8471378 0.0615745 0.0461138 0.1095939 -1.5007953 69 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 -0.0685575 0.0000000 -0.2324626 -2.3263803 70 O -2.3138705 0.1925137 0.0058718 0.2980835 -1.8471378 -0.0615745 -0.0461138 -0.1095939 -1.5007953 71 O -2.3138705 0.1925137 0.0058718 0.2980835 -1.8471378 -0.0615745 -0.0461138 -0.1095939 -1.5007953 72 O -1.7990043 0.0000000 -0.3775343 0.0000000 -1.9013932 0.0000000 -0.3484191 0.0000000 -2.2591342 73 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 0.0685575 0.0000000 0.2324626 -2.3263803 74 O -1.7324741 -0.0101729 -0.1447717 -0.0091374 -2.4845313 -0.0690260 -0.1180746 -0.0665847 -1.7939297 75 O -1.7990043 0.0000000 0.3775343 0.0000000 -1.9013932 0.0000000 0.3484191 0.0000000 -2.2591342 76 O -2.3138705 -0.1925137 -0.0058718 -0.2980835 -1.8471378 -0.0615745 0.0461138 -0.1095939 -1.5007953 77 O -1.7324741 0.0101729 -0.1447717 0.0091374 -2.4845313 0.0690260 -0.1180746 0.0665847 -1.7939297 78 O -2.0631981 0.1269879 0.5529962 0.1126254 -1.6959636 0.5335886 0.5610026 0.4966966 -2.0280788 79 O -2.0631981 -0.1269879 0.5529962 -0.1126254 -1.6959636 -0.5335886 0.5610026 -0.4966966 -2.0280788 80 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 -0.0685575 0.0000000 -0.2324626 -2.3263803 ---------------------------------------------------------------------------- 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[ 2, 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[ 13, 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[ 14, 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[ 16, 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[ 23, 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 34, 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[ 36, 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[ 37, 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[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 52, 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[ 62, 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 (zz) -0.00000000 (zz) 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 11:02:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:02:42]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.675546600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.531658360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.352797850000004 Atomic positions (fractional): 1 Lu 0.63549994485123 0.49591126885782 0.69441743466327 174.967 2 Lu 0.86815737414951 0.50000000000000 0.50000000000000 174.967 3 Lu 0.63184262585049 0.50000000000000 0.00000000000000 174.967 4 Lu 0.13184262585049 0.50000000000000 0.50000000000000 174.967 5 Lu 0.13549994485123 0.49591126885782 0.80558256533673 174.967 6 Lu 0.36815737414951 0.50000000000000 0.00000000000000 174.967 7 Lu 0.63549994485123 0.50408873114218 0.30558256533673 174.967 8 Lu 0.36450005514877 0.50408873114218 0.30558256533673 174.967 9 Lu 0.86450005514877 0.49591126885782 0.80558256533673 174.967 10 Lu 0.13549994485123 0.50408873114218 0.19441743466327 174.967 11 Lu 0.36450005514877 0.49591126885782 0.69441743466327 174.967 12 Lu 0.86450005514877 0.50408873114218 0.19441743466327 174.967 13 B 0.00000000000000 0.95756449853008 0.12781562790363 10.811 14 B 0.29791852997635 0.03466231984913 0.15048931443640 10.811 15 B 0.70208147002365 0.96533768015087 0.84951068556360 10.811 16 B 0.33827050702395 0.00000000000000 0.50000000000000 10.811 17 B 0.50000000000000 0.95756449853008 0.37218437209637 10.811 18 B 0.83827050702395 0.00000000000000 0.00000000000000 10.811 19 B 0.20208147002365 0.03466231984913 0.34951068556360 10.811 20 B 0.29791852997635 0.96533768015087 0.84951068556360 10.811 21 B 0.79791852997635 0.96533768015087 0.65048931443640 10.811 22 B 0.20208147002365 0.96533768015087 0.65048931443640 10.811 23 B 0.50000000000000 0.03569365912734 0.85153716834191 10.811 24 B 0.79791852997635 0.03466231984913 0.34951068556360 10.811 25 B 0.50000000000000 0.04243550146992 0.62781562790363 10.811 26 B 0.66172949297605 0.00000000000000 0.50000000000000 10.811 27 B 0.50000000000000 0.96430634087266 0.14846283165809 10.811 28 B 0.70208147002365 0.03466231984913 0.15048931443640 10.811 29 B 0.00000000000000 0.03569365912734 0.64846283165809 10.811 30 B 0.00000000000000 0.04243550146992 0.87218437209637 10.811 31 B 0.00000000000000 0.96430634087266 0.35153716834191 10.811 32 B 0.16172949297605 0.00000000000000 0.00000000000000 10.811 33 O 0.09630523359204 0.16607245460372 0.92446164127384 15.999 34 O 0.76681654152219 0.19588973332963 0.06387042269419 15.999 35 O 0.26681654152219 0.19588973332963 0.43612957730581 15.999 36 O 0.00000000000000 0.26498787361132 0.14139867078294 15.999 37 O 0.70394009964084 0.28064857641918 0.84805747161780 15.999 38 O 0.73318345847781 0.80411026667037 0.56387042269419 15.999 39 O 0.79605990035916 0.28064857641918 0.65194252838220 15.999 40 O 0.50000000000000 0.26498787361132 0.35860132921706 15.999 41 O 0.40369476640796 0.16607245460372 0.57553835872616 15.999 42 O 0.00000000000000 0.73501212638868 0.85860132921706 15.999 43 O 0.50000000000000 0.25899391012208 0.93215056047246 15.999 44 O 0.70394009964084 0.71935142358082 0.15194252838220 15.999 45 O 0.26681654152219 0.80411026667037 0.56387042269419 15.999 46 O 0.00000000000000 0.74100608987792 0.43215056047246 15.999 47 O 0.00000000000000 0.25899391012208 0.56784943952754 15.999 48 O 0.20394009964084 0.71935142358082 0.34805747161780 15.999 49 O 0.50000000000000 0.74100608987792 0.06784943952754 15.999 50 O 0.50000000000000 0.73501212638868 0.64139867078294 15.999 51 O 0.09483162820438 0.16533539272332 0.35557246133396 15.999 52 O 0.75000000000000 0.16443712275979 0.25000000000000 15.999 53 O 0.40369476640796 0.83392754539628 0.42446164127384 15.999 54 O 0.40516837179561 0.83466460727668 0.85557246133396 15.999 55 O 0.76681654152219 0.80411026667037 0.93612957730581 15.999 56 O 0.90369476640796 0.16607245460372 0.92446164127384 15.999 57 O 0.59483162820438 0.83466460727668 0.85557246133396 15.999 58 O 0.59483162820438 0.16533539272332 0.14442753866604 15.999 59 O 0.23318345847781 0.19588973332963 0.06387042269419 15.999 60 O 0.73318345847781 0.19588973332963 0.43612957730581 15.999 61 O 0.90369476640796 0.83392754539628 0.07553835872616 15.999 62 O 0.50000000000000 0.19817165128299 0.73996718363694 15.999 63 O 0.23318345847781 0.80411026667037 0.93612957730581 15.999 64 O 0.29605990035916 0.71935142358082 0.15194252838220 15.999 65 O 0.20394009964084 0.28064857641918 0.65194252838220 15.999 66 O 0.75000000000000 0.83556287724021 0.75000000000000 15.999 67 O 0.59630523359204 0.83392754539628 0.42446164127384 15.999 68 O 0.40516837179561 0.16533539272332 0.14442753866604 15.999 69 O 0.00000000000000 0.80182834871701 0.23996718363694 15.999 70 O 0.09483162820438 0.83466460727668 0.64442753866604 15.999 71 O 0.90516837179562 0.16533539272332 0.35557246133396 15.999 72 O 0.25000000000000 0.83556287724021 0.75000000000000 15.999 73 O 0.50000000000000 0.80182834871701 0.26003281636307 15.999 74 O 0.79605990035916 0.71935142358082 0.34805747161780 15.999 75 O 0.25000000000000 0.16443712275979 0.25000000000000 15.999 76 O 0.90516837179562 0.83466460727668 0.64442753866604 15.999 77 O 0.29605990035916 0.28064857641918 0.84805747161780 15.999 78 O 0.09630523359204 0.83392754539628 0.07553835872616 15.999 79 O 0.59630523359204 0.16607245460372 0.57553835872616 15.999 80 O 0.00000000000000 0.19817165128299 0.76003281636306 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.675546600000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.531658360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.352797850000004 Atomic positions (fractional): 1 Lu 0.63549994485123 0.49591126885782 0.69441743466327 174.967 > 1 2 Lu 0.86815737414951 0.50000000000000 0.50000000000000 174.967 > 2 3 Lu 0.63184262585049 0.50000000000000 0.00000000000000 174.967 > 3 4 Lu 0.13184262585049 0.50000000000000 0.50000000000000 174.967 > 4 5 Lu 0.13549994485123 0.49591126885782 0.80558256533673 174.967 > 5 6 Lu 0.36815737414951 0.50000000000000 0.00000000000000 174.967 > 6 7 Lu 0.63549994485123 0.50408873114218 0.30558256533673 174.967 > 7 8 Lu 0.36450005514877 0.50408873114218 0.30558256533673 174.967 > 8 9 Lu 0.86450005514877 0.49591126885782 0.80558256533673 174.967 > 9 10 Lu 0.13549994485123 0.50408873114218 0.19441743466327 174.967 > 10 11 Lu 0.36450005514877 0.49591126885782 0.69441743466327 174.967 > 11 12 Lu 0.86450005514877 0.50408873114218 0.19441743466327 174.967 > 12 13 B 0.00000000000000 0.95756449853008 0.12781562790363 10.811 > 13 14 B 0.29791852997635 0.03466231984913 0.15048931443640 10.811 > 14 15 B 0.70208147002365 0.96533768015087 0.84951068556360 10.811 > 15 16 B 0.33827050702395 0.00000000000000 0.50000000000000 10.811 > 16 17 B 0.50000000000000 0.95756449853008 0.37218437209637 10.811 > 17 18 B 0.83827050702395 0.00000000000000 0.00000000000000 10.811 > 18 19 B 0.20208147002365 0.03466231984913 0.34951068556360 10.811 > 19 20 B 0.29791852997635 0.96533768015087 0.84951068556360 10.811 > 20 21 B 0.79791852997635 0.96533768015087 0.65048931443640 10.811 > 21 22 B 0.20208147002365 0.96533768015087 0.65048931443640 10.811 > 22 23 B 0.50000000000000 0.03569365912734 0.85153716834191 10.811 > 23 24 B 0.79791852997635 0.03466231984913 0.34951068556360 10.811 > 24 25 B 0.50000000000000 0.04243550146992 0.62781562790363 10.811 > 25 26 B 0.66172949297605 0.00000000000000 0.50000000000000 10.811 > 26 27 B 0.50000000000000 0.96430634087266 0.14846283165809 10.811 > 27 28 B 0.70208147002365 0.03466231984913 0.15048931443640 10.811 > 28 29 B 0.00000000000000 0.03569365912734 0.64846283165809 10.811 > 29 30 B 0.00000000000000 0.04243550146992 0.87218437209637 10.811 > 30 31 B 0.00000000000000 0.96430634087266 0.35153716834191 10.811 > 31 32 B 0.16172949297605 0.00000000000000 0.00000000000000 10.811 > 32 33 O 0.09630523359204 0.16607245460372 0.92446164127384 15.999 > 33 34 O 0.76681654152219 0.19588973332963 0.06387042269419 15.999 > 34 35 O 0.26681654152219 0.19588973332963 0.43612957730581 15.999 > 35 36 O 0.00000000000000 0.26498787361132 0.14139867078294 15.999 > 36 37 O 0.70394009964084 0.28064857641918 0.84805747161780 15.999 > 37 38 O 0.73318345847781 0.80411026667037 0.56387042269419 15.999 > 38 39 O 0.79605990035916 0.28064857641918 0.65194252838220 15.999 > 39 40 O 0.50000000000000 0.26498787361132 0.35860132921706 15.999 > 40 41 O 0.40369476640796 0.16607245460372 0.57553835872616 15.999 > 41 42 O 0.00000000000000 0.73501212638868 0.85860132921706 15.999 > 42 43 O 0.50000000000000 0.25899391012208 0.93215056047246 15.999 > 43 44 O 0.70394009964084 0.71935142358082 0.15194252838220 15.999 > 44 45 O 0.26681654152219 0.80411026667037 0.56387042269419 15.999 > 45 46 O 0.00000000000000 0.74100608987792 0.43215056047246 15.999 > 46 47 O 0.00000000000000 0.25899391012208 0.56784943952754 15.999 > 47 48 O 0.20394009964084 0.71935142358082 0.34805747161780 15.999 > 48 49 O 0.50000000000000 0.74100608987792 0.06784943952754 15.999 > 49 50 O 0.50000000000000 0.73501212638868 0.64139867078294 15.999 > 50 51 O 0.09483162820438 0.16533539272332 0.35557246133396 15.999 > 51 52 O 0.75000000000000 0.16443712275979 0.25000000000000 15.999 > 52 53 O 0.40369476640796 0.83392754539628 0.42446164127384 15.999 > 53 54 O 0.40516837179561 0.83466460727668 0.85557246133396 15.999 > 54 55 O 0.76681654152219 0.80411026667037 0.93612957730581 15.999 > 55 56 O 0.90369476640796 0.16607245460372 0.92446164127384 15.999 > 56 57 O 0.59483162820438 0.83466460727668 0.85557246133396 15.999 > 57 58 O 0.59483162820438 0.16533539272332 0.14442753866604 15.999 > 58 59 O 0.23318345847781 0.19588973332963 0.06387042269419 15.999 > 59 60 O 0.73318345847781 0.19588973332963 0.43612957730581 15.999 > 60 61 O 0.90369476640796 0.83392754539628 0.07553835872616 15.999 > 61 62 O 0.50000000000000 0.19817165128299 0.73996718363694 15.999 > 62 63 O 0.23318345847781 0.80411026667037 0.93612957730581 15.999 > 63 64 O 0.29605990035916 0.71935142358082 0.15194252838220 15.999 > 64 65 O 0.20394009964084 0.28064857641918 0.65194252838220 15.999 > 65 66 O 0.75000000000000 0.83556287724021 0.75000000000000 15.999 > 66 67 O 0.59630523359204 0.83392754539628 0.42446164127384 15.999 > 67 68 O 0.40516837179561 0.16533539272332 0.14442753866604 15.999 > 68 69 O 0.00000000000000 0.80182834871701 0.23996718363694 15.999 > 69 70 O 0.09483162820438 0.83466460727668 0.64442753866604 15.999 > 70 71 O 0.90516837179562 0.16533539272332 0.35557246133396 15.999 > 71 72 O 0.25000000000000 0.83556287724021 0.75000000000000 15.999 > 72 73 O 0.50000000000000 0.80182834871701 0.26003281636307 15.999 > 73 74 O 0.79605990035916 0.71935142358082 0.34805747161780 15.999 > 74 75 O 0.25000000000000 0.16443712275979 0.25000000000000 15.999 > 75 76 O 0.90516837179562 0.83466460727668 0.64442753866604 15.999 > 76 77 O 0.29605990035916 0.28064857641918 0.84805747161780 15.999 > 77 78 O 0.09630523359204 0.83392754539628 0.07553835872616 15.999 > 78 79 O 0.59630523359204 0.16607245460372 0.57553835872616 15.999 > 79 80 O 0.00000000000000 0.19817165128299 0.76003281636306 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6387452 0.0000000 0.0000000 0.0000000 3.6162646 0.0000000 0.0000000 0.0000000 3.4559681 -------------------------- Born effective charges -------------------------- 1 Lu 3.9379149 0.0408145 0.2165624 0.0111625 3.8260720 0.1333522 0.1309030 0.1282238 3.1681325 2 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 -0.0372010 0.0000000 -0.1069064 3.7212633 3 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 0.0372010 0.0000000 0.1069064 3.7212633 4 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 -0.0372010 0.0000000 -0.1069064 3.7212633 5 Lu 3.9379149 0.0408145 -0.2165624 0.0111625 3.8260720 -0.1333522 -0.1309030 -0.1282238 3.1681325 6 Lu 3.7502735 0.0000000 0.0000000 0.0000000 3.5501380 0.0372010 0.0000000 0.1069064 3.7212633 7 Lu 3.9379149 -0.0408145 -0.2165624 -0.0111625 3.8260720 0.1333522 -0.1309030 0.1282238 3.1681325 8 Lu 3.9379149 0.0408145 0.2165624 0.0111625 3.8260720 0.1333522 0.1309030 0.1282238 3.1681325 9 Lu 3.9379149 -0.0408145 0.2165624 -0.0111625 3.8260720 -0.1333522 0.1309030 -0.1282238 3.1681325 10 Lu 3.9379149 -0.0408145 0.2165624 -0.0111625 3.8260720 -0.1333522 0.1309030 -0.1282238 3.1681325 11 Lu 3.9379149 -0.0408145 -0.2165624 -0.0111625 3.8260720 0.1333522 -0.1309030 0.1282238 3.1681325 12 Lu 3.9379149 0.0408145 -0.2165624 0.0111625 3.8260720 -0.1333522 -0.1309030 -0.1282238 3.1681325 13 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 -0.0227332 0.0000000 0.1631311 2.1938085 14 B 2.3205705 -0.0691491 -0.0596126 -0.1143411 2.6540896 0.0647505 -0.0500429 -0.0577999 2.1758072 15 B 2.3205705 -0.0691491 -0.0596126 -0.1143411 2.6540896 0.0647505 -0.0500429 -0.0577999 2.1758072 16 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 -0.0218905 0.0000000 0.1089721 3.0566166 17 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 0.0227332 0.0000000 -0.1631311 2.1938085 18 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 0.0218905 0.0000000 -0.1089721 3.0566166 19 B 2.3205705 0.0691491 -0.0596126 0.1143411 2.6540896 -0.0647505 -0.0500429 0.0577999 2.1758072 20 B 2.3205705 0.0691491 0.0596126 0.1143411 2.6540896 0.0647505 0.0500429 -0.0577999 2.1758072 21 B 2.3205705 0.0691491 -0.0596126 0.1143411 2.6540896 -0.0647505 -0.0500429 0.0577999 2.1758072 22 B 2.3205705 -0.0691491 0.0596126 -0.1143411 2.6540896 -0.0647505 0.0500429 0.0577999 2.1758072 23 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 0.1689441 0.0000000 0.1209205 2.6449480 24 B 2.3205705 -0.0691491 0.0596126 -0.1143411 2.6540896 -0.0647505 0.0500429 0.0577999 2.1758072 25 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 0.0227332 0.0000000 -0.1631311 2.1938085 26 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 -0.0218905 0.0000000 0.1089721 3.0566166 27 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 0.1689441 0.0000000 0.1209205 2.6449480 28 B 2.3205705 0.0691491 0.0596126 0.1143411 2.6540896 0.0647505 0.0500429 -0.0577999 2.1758072 29 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 -0.1689441 0.0000000 -0.1209205 2.6449480 30 B 2.6389806 0.0000000 0.0000000 0.0000000 2.6534454 -0.0227332 0.0000000 0.1631311 2.1938085 31 B 2.5964457 0.0000000 0.0000000 0.0000000 2.6976361 -0.1689441 0.0000000 -0.1209205 2.6449480 32 B 2.6592843 0.0000000 0.0000000 0.0000000 2.1451947 0.0218905 0.0000000 -0.1089721 3.0566166 33 O -2.0631981 -0.1269879 -0.5529962 -0.1126254 -1.6959636 0.5335886 -0.5610026 0.4966966 -2.0280788 34 O -1.9486525 0.1833710 0.2497375 0.1881210 -1.7693679 -0.1122690 0.3045502 -0.0339237 -1.9810586 35 O -1.9486525 0.1833710 -0.2497375 0.1881210 -1.7693679 0.1122690 -0.3045502 0.0339237 -1.9810586 36 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 -0.4311065 0.0000000 -0.3647296 -1.1836814 37 O -1.7324741 -0.0101729 0.1447717 -0.0091374 -2.4845313 0.0690260 0.1180746 0.0665847 -1.7939297 38 O -1.9486525 0.1833710 -0.2497375 0.1881210 -1.7693679 0.1122690 -0.3045502 0.0339237 -1.9810586 39 O -1.7324741 0.0101729 0.1447717 0.0091374 -2.4845313 -0.0690260 0.1180746 -0.0665847 -1.7939297 40 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 0.4311065 0.0000000 0.3647296 -1.1836814 41 O -2.0631981 0.1269879 -0.5529962 0.1126254 -1.6959636 -0.5335886 -0.5610026 -0.4966966 -2.0280788 42 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 -0.4311065 0.0000000 -0.3647296 -1.1836814 43 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 -0.8032239 0.0000000 -0.8484804 -1.9275950 44 O -1.7324741 0.0101729 -0.1447717 0.0091374 -2.4845313 0.0690260 -0.1180746 0.0665847 -1.7939297 45 O -1.9486525 -0.1833710 0.2497375 -0.1881210 -1.7693679 0.1122690 0.3045502 0.0339237 -1.9810586 46 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 0.8032239 0.0000000 0.8484804 -1.9275950 47 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 0.8032239 0.0000000 0.8484804 -1.9275950 48 O -1.7324741 0.0101729 0.1447717 0.0091374 -2.4845313 -0.0690260 0.1180746 -0.0665847 -1.7939297 49 O -2.1375796 0.0000000 0.0000000 0.0000000 -2.0830352 -0.8032239 0.0000000 -0.8484804 -1.9275950 50 O -2.3177227 0.0000000 0.0000000 0.0000000 -2.6196883 0.4311065 0.0000000 0.3647296 -1.1836814 51 O -2.3138705 -0.1925137 -0.0058718 -0.2980835 -1.8471378 -0.0615745 0.0461138 -0.1095939 -1.5007953 52 O -1.7990043 0.0000000 -0.3775343 0.0000000 -1.9013932 0.0000000 -0.3484191 0.0000000 -2.2591342 53 O -2.0631981 -0.1269879 0.5529962 -0.1126254 -1.6959636 -0.5335886 0.5610026 -0.4966966 -2.0280788 54 O -2.3138705 -0.1925137 0.0058718 -0.2980835 -1.8471378 0.0615745 -0.0461138 0.1095939 -1.5007953 55 O -1.9486525 -0.1833710 -0.2497375 -0.1881210 -1.7693679 -0.1122690 -0.3045502 -0.0339237 -1.9810586 56 O -2.0631981 0.1269879 0.5529962 0.1126254 -1.6959636 0.5335886 0.5610026 0.4966966 -2.0280788 57 O -2.3138705 0.1925137 -0.0058718 0.2980835 -1.8471378 0.0615745 0.0461138 0.1095939 -1.5007953 58 O -2.3138705 -0.1925137 0.0058718 -0.2980835 -1.8471378 0.0615745 -0.0461138 0.1095939 -1.5007953 59 O -1.9486525 -0.1833710 -0.2497375 -0.1881210 -1.7693679 -0.1122690 -0.3045502 -0.0339237 -1.9810586 60 O -1.9486525 -0.1833710 0.2497375 -0.1881210 -1.7693679 0.1122690 0.3045502 0.0339237 -1.9810586 61 O -2.0631981 -0.1269879 -0.5529962 -0.1126254 -1.6959636 0.5335886 -0.5610026 0.4966966 -2.0280788 62 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 0.0685575 0.0000000 0.2324626 -2.3263803 63 O -1.9486525 0.1833710 0.2497375 0.1881210 -1.7693679 -0.1122690 0.3045502 -0.0339237 -1.9810586 64 O -1.7324741 -0.0101729 0.1447717 -0.0091374 -2.4845313 0.0690260 0.1180746 0.0665847 -1.7939297 65 O -1.7324741 -0.0101729 -0.1447717 -0.0091374 -2.4845313 -0.0690260 -0.1180746 -0.0665847 -1.7939297 66 O -1.7990043 0.0000000 0.3775343 0.0000000 -1.9013932 0.0000000 0.3484191 0.0000000 -2.2591342 67 O -2.0631981 0.1269879 -0.5529962 0.1126254 -1.6959636 -0.5335886 -0.5610026 -0.4966966 -2.0280788 68 O -2.3138705 0.1925137 -0.0058718 0.2980835 -1.8471378 0.0615745 0.0461138 0.1095939 -1.5007953 69 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 -0.0685575 0.0000000 -0.2324626 -2.3263803 70 O -2.3138705 0.1925137 0.0058718 0.2980835 -1.8471378 -0.0615745 -0.0461138 -0.1095939 -1.5007953 71 O -2.3138705 0.1925137 0.0058718 0.2980835 -1.8471378 -0.0615745 -0.0461138 -0.1095939 -1.5007953 72 O -1.7990043 0.0000000 -0.3775343 0.0000000 -1.9013932 0.0000000 -0.3484191 0.0000000 -2.2591342 73 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 0.0685575 0.0000000 0.2324626 -2.3263803 74 O -1.7324741 -0.0101729 -0.1447717 -0.0091374 -2.4845313 -0.0690260 -0.1180746 -0.0665847 -1.7939297 75 O -1.7990043 0.0000000 0.3775343 0.0000000 -1.9013932 0.0000000 0.3484191 0.0000000 -2.2591342 76 O -2.3138705 -0.1925137 -0.0058718 -0.2980835 -1.8471378 -0.0615745 0.0461138 -0.1095939 -1.5007953 77 O -1.7324741 0.0101729 -0.1447717 0.0091374 -2.4845313 0.0690260 -0.1180746 0.0665847 -1.7939297 78 O -2.0631981 0.1269879 0.5529962 0.1126254 -1.6959636 0.5335886 0.5610026 0.4966966 -2.0280788 79 O -2.0631981 -0.1269879 0.5529962 -0.1126254 -1.6959636 -0.5335886 0.5610026 -0.4966966 -2.0280788 80 O -1.7912579 0.0000000 0.0000000 0.0000000 -1.8086195 -0.0685575 0.0000000 -0.2324626 -2.3263803 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 11 4 ] 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: 0.47, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 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 1.894 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.189 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.836 ( 0.000 0.000 0.000) 0.000 7.853 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.144 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 8.709 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 9.018 ( 0.000 0.000 0.000) 0.000 9.166 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.823 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 9.902 ( 0.000 0.000 0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.442 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.909 ( 0.000 0.000 0.000) 0.000 10.985 ( 0.000 0.000 0.000) 0.000 11.197 ( 0.000 0.000 0.000) 0.000 11.203 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.377 ( 0.000 0.000 0.000) 0.000 11.388 ( 0.000 0.000 0.000) 0.000 11.388 ( 0.000 0.000 0.000) 0.000 11.443 ( 0.000 0.000 0.000) 0.000 11.475 ( 0.000 0.000 0.000) 0.000 11.605 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.106 ( 0.000 0.000 0.000) 0.000 12.128 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.238 ( 0.000 0.000 0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.473 ( 0.000 0.000 0.000) 0.000 12.510 ( 0.000 0.000 0.000) 0.000 12.651 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.769 ( 0.000 0.000 0.000) 0.000 12.939 ( 0.000 0.000 0.000) 0.000 12.980 ( 0.000 0.000 0.000) 0.000 13.029 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.230 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.386 ( 0.000 0.000 0.000) 0.000 13.516 ( 0.000 0.000 0.000) 0.000 13.607 ( 0.000 0.000 0.000) 0.000 13.705 ( 0.000 0.000 0.000) 0.000 13.785 ( 0.000 0.000 0.000) 0.000 13.849 ( 0.000 0.000 0.000) 0.000 14.025 ( 0.000 0.000 0.000) 0.000 14.153 ( 0.000 0.000 0.000) 0.000 14.246 ( 0.000 0.000 0.000) 0.000 14.570 ( 0.000 0.000 0.000) 0.000 14.819 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 15.081 ( 0.000 0.000 0.000) 0.000 15.429 ( 0.000 0.000 0.000) 0.000 15.501 ( 0.000 0.000 0.000) 0.000 15.678 ( 0.000 0.000 0.000) 0.000 15.716 ( 0.000 0.000 0.000) 0.000 15.838 ( 0.000 0.000 0.000) 0.000 15.869 ( 0.000 0.000 0.000) 0.000 16.127 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.596 ( 0.000 0.000 0.000) 0.000 16.760 ( 0.000 0.000 0.000) 0.000 16.926 ( 0.000 0.000 0.000) 0.000 16.962 ( 0.000 0.000 0.000) 0.000 17.132 ( 0.000 0.000 0.000) 0.000 17.356 ( 0.000 0.000 0.000) 0.000 17.384 ( 0.000 0.000 0.000) 0.000 17.555 ( 0.000 0.000 0.000) 0.000 17.842 ( 0.000 0.000 0.000) 0.000 18.022 ( 0.000 0.000 0.000) 0.000 18.130 ( 0.000 0.000 0.000) 0.000 18.145 ( 0.000 0.000 0.000) 0.000 18.283 ( 0.000 0.000 0.000) 0.000 18.303 ( 0.000 0.000 0.000) 0.000 18.453 ( 0.000 0.000 0.000) 0.000 18.465 ( 0.000 0.000 0.000) 0.000 18.628 ( 0.000 0.000 0.000) 0.000 18.832 ( 0.000 0.000 0.000) 0.000 18.885 ( 0.000 0.000 0.000) 0.000 18.916 ( 0.000 0.000 0.000) 0.000 18.927 ( 0.000 0.000 0.000) 0.000 19.095 ( 0.000 0.000 0.000) 0.000 19.317 ( 0.000 0.000 0.000) 0.000 19.398 ( 0.000 0.000 0.000) 0.000 19.509 ( 0.000 0.000 0.000) 0.000 19.526 ( 0.000 0.000 0.000) 0.000 19.549 ( 0.000 0.000 0.000) 0.000 19.848 ( 0.000 0.000 0.000) 0.000 20.061 ( 0.000 0.000 0.000) 0.000 20.457 ( 0.000 0.000 0.000) 0.000 20.594 ( 0.000 0.000 0.000) 0.000 20.936 ( 0.000 0.000 0.000) 0.000 20.940 ( 0.000 0.000 0.000) 0.000 21.001 ( 0.000 0.000 0.000) 0.000 21.033 ( 0.000 0.000 0.000) 0.000 21.130 ( 0.000 0.000 0.000) 0.000 21.214 ( 0.000 0.000 0.000) 0.000 21.231 ( 0.000 0.000 0.000) 0.000 21.393 ( 0.000 0.000 0.000) 0.000 21.424 ( 0.000 0.000 0.000) 0.000 21.503 ( 0.000 0.000 0.000) 0.000 22.125 ( 0.000 0.000 0.000) 0.000 22.405 ( 0.000 0.000 0.000) 0.000 22.634 ( 0.000 0.000 0.000) 0.000 22.683 ( 0.000 0.000 0.000) 0.000 22.719 ( 0.000 0.000 0.000) 0.000 22.822 ( 0.000 0.000 0.000) 0.000 23.097 ( 0.000 0.000 0.000) 0.000 23.224 ( 0.000 0.000 0.000) 0.000 23.288 ( 0.000 0.000 0.000) 0.000 23.329 ( 0.000 0.000 0.000) 0.000 23.545 ( 0.000 0.000 0.000) 0.000 23.783 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 24.076 ( 0.000 0.000 0.000) 0.000 24.206 ( 0.000 0.000 0.000) 0.000 24.223 ( 0.000 0.000 0.000) 0.000 24.337 ( 0.000 0.000 0.000) 0.000 24.529 ( 0.000 0.000 0.000) 0.000 24.630 ( 0.000 0.000 0.000) 0.000 24.724 ( 0.000 0.000 0.000) 0.000 24.929 ( 0.000 0.000 0.000) 0.000 25.005 ( 0.000 0.000 0.000) 0.000 25.110 ( 0.000 0.000 0.000) 0.000 25.492 ( 0.000 0.000 0.000) 0.000 25.669 ( 0.000 0.000 0.000) 0.000 25.828 ( 0.000 0.000 0.000) 0.000 25.843 ( 0.000 0.000 0.000) 0.000 26.270 ( 0.000 0.000 0.000) 0.000 26.329 ( 0.000 0.000 0.000) 0.000 26.361 ( 0.000 0.000 0.000) 0.000 26.522 ( 0.000 0.000 0.000) 0.000 26.697 ( 0.000 0.000 0.000) 0.000 26.892 ( 0.000 0.000 0.000) 0.000 27.715 ( 0.000 0.000 0.000) 0.000 27.794 ( 0.000 0.000 0.000) 0.000 28.187 ( 0.000 0.000 0.000) 0.000 28.338 ( 0.000 0.000 0.000) 0.000 28.636 ( 0.000 0.000 0.000) 0.000 28.763 ( 0.000 0.000 0.000) 0.000 28.997 ( 0.000 0.000 0.000) 0.000 29.070 ( 0.000 0.000 0.000) 0.000 29.216 ( 0.000 0.000 0.000) 0.000 29.219 ( 0.000 0.000 0.000) 0.000 29.313 ( 0.000 0.000 0.000) 0.000 29.403 ( 0.000 0.000 0.000) 0.000 29.572 ( 0.000 0.000 0.000) 0.000 29.991 ( 0.000 0.000 0.000) 0.000 30.183 ( 0.000 0.000 0.000) 0.000 30.400 ( 0.000 0.000 0.000) 0.000 30.454 ( 0.000 0.000 0.000) 0.000 30.553 ( 0.000 0.000 0.000) 0.000 30.832 ( 0.000 0.000 0.000) 0.000 30.974 ( 0.000 0.000 0.000) 0.000 31.138 ( 0.000 0.000 0.000) 0.000 31.145 ( 0.000 0.000 0.000) 0.000 31.176 ( 0.000 0.000 0.000) 0.000 31.294 ( 0.000 0.000 0.000) 0.000 31.423 ( 0.000 0.000 0.000) 0.000 32.045 ( 0.000 0.000 0.000) 0.000 32.084 ( 0.000 0.000 0.000) 0.000 32.103 ( 0.000 0.000 0.000) 0.000 32.113 ( 0.000 0.000 0.000) 0.000 32.291 ( 0.000 0.000 0.000) 0.000 32.322 ( 0.000 0.000 0.000) 0.000 32.334 ( 0.000 0.000 0.000) 0.000 32.745 ( 0.000 0.000 0.000) 0.000 32.852 ( 0.000 0.000 0.000) 0.000 33.052 ( 0.000 0.000 0.000) 0.000 33.130 ( 0.000 0.000 0.000) 0.000 33.165 ( 0.000 0.000 0.000) 0.000 33.490 ( 0.000 0.000 0.000) 0.000 33.797 ( 0.000 0.000 0.000) 0.000 33.801 ( 0.000 0.000 0.000) 0.000 33.932 ( 0.000 0.000 0.000) 0.000 34.587 ( 0.000 0.000 0.000) 0.000 34.828 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 38.117 0.000 0.000) 38.117 0.796 ( 36.460 0.000 0.000) 36.460 1.548 ( 73.686 0.000 0.000) 73.686 1.788 ( -10.898 0.000 0.000) 10.898 1.988 ( -6.586 0.000 0.000) 6.586 2.463 ( -6.343 0.000 0.000) 6.343 2.569 ( -6.320 0.000 0.000) 6.320 2.592 ( -3.160 0.000 0.000) 3.160 2.652 ( 4.439 0.000 0.000) 4.439 2.839 ( 0.442 0.000 0.000) 0.442 2.931 ( 6.579 0.000 0.000) 6.579 2.963 ( 9.341 0.000 0.000) 9.341 2.992 ( 0.831 0.000 0.000) 0.831 3.089 ( 7.591 0.000 0.000) 7.591 3.121 ( -10.105 0.000 0.000) 10.105 3.224 ( -0.963 0.000 0.000) 0.963 3.388 ( -5.423 0.000 0.000) 5.423 3.391 ( -5.013 0.000 0.000) 5.013 3.483 ( -7.114 0.000 0.000) 7.114 3.500 ( 4.043 0.000 0.000) 4.043 3.535 ( -15.340 0.000 0.000) 15.340 3.703 ( -10.346 0.000 0.000) 10.346 3.790 ( 0.832 0.000 0.000) 0.832 3.982 ( 2.716 0.000 0.000) 2.716 4.082 ( 5.985 0.000 0.000) 5.985 4.182 ( 1.786 0.000 0.000) 1.786 4.258 ( -24.119 0.000 0.000) 24.119 4.276 ( -3.773 0.000 0.000) 3.773 4.517 ( 5.387 0.000 0.000) 5.387 4.703 ( -3.959 0.000 0.000) 3.959 4.908 ( -7.273 0.000 0.000) 7.273 4.918 ( -7.524 0.000 0.000) 7.524 5.155 ( 11.975 0.000 0.000) 11.975 5.320 ( 20.769 0.000 0.000) 20.769 5.614 ( -9.783 0.000 0.000) 9.783 5.858 ( -6.945 0.000 0.000) 6.945 6.171 ( 5.721 0.000 0.000) 5.721 6.248 ( 5.475 0.000 0.000) 5.475 6.494 ( 3.047 0.000 0.000) 3.047 6.539 ( -3.301 0.000 0.000) 3.301 6.648 ( 1.851 0.000 0.000) 1.851 6.795 ( 10.238 0.000 0.000) 10.238 6.846 ( -10.099 0.000 0.000) 10.099 7.234 ( -0.537 0.000 0.000) 0.537 7.326 ( 20.610 0.000 0.000) 20.610 7.438 ( -0.292 0.000 0.000) 0.292 7.446 ( -12.340 0.000 0.000) 12.340 7.461 ( 6.319 0.000 0.000) 6.319 7.655 ( -1.712 0.000 0.000) 1.712 7.800 ( -13.300 0.000 0.000) 13.300 7.801 ( -3.150 0.000 0.000) 3.150 7.883 ( 4.892 0.000 0.000) 4.892 8.005 ( -7.337 0.000 0.000) 7.337 8.007 ( 14.006 0.000 0.000) 14.006 8.098 ( -2.508 0.000 0.000) 2.508 8.441 ( -2.608 0.000 0.000) 2.608 8.526 ( 15.979 0.000 0.000) 15.979 8.682 ( 0.377 0.000 0.000) 0.377 8.691 ( 1.383 0.000 0.000) 1.383 8.851 ( -13.457 0.000 0.000) 13.457 9.085 ( 22.412 0.000 0.000) 22.412 9.501 ( -26.203 0.000 0.000) 26.203 9.623 ( -10.216 0.000 0.000) 10.216 9.648 ( -25.201 0.000 0.000) 25.201 9.682 ( 21.683 0.000 0.000) 21.683 9.715 ( -8.236 0.000 0.000) 8.236 9.744 ( 2.121 0.000 0.000) 2.121 9.793 ( -6.442 0.000 0.000) 6.442 10.174 ( 8.571 0.000 0.000) 8.571 10.207 ( 11.345 0.000 0.000) 11.345 10.286 ( -11.416 0.000 0.000) 11.416 10.465 ( 7.449 0.000 0.000) 7.449 10.694 ( -16.757 0.000 0.000) 16.757 10.707 ( -1.892 0.000 0.000) 1.892 10.951 ( -14.407 0.000 0.000) 14.407 10.985 ( -5.177 0.000 0.000) 5.177 11.264 ( 3.953 0.000 0.000) 3.953 11.340 ( 6.617 0.000 0.000) 6.617 11.363 ( 4.409 0.000 0.000) 4.409 11.390 ( 0.391 0.000 0.000) 0.391 11.450 ( -1.792 0.000 0.000) 1.792 11.460 ( 5.240 0.000 0.000) 5.240 11.501 ( 12.509 0.000 0.000) 12.509 11.762 ( 17.828 0.000 0.000) 17.828 11.792 ( 15.545 0.000 0.000) 15.545 12.050 ( -3.037 0.000 0.000) 3.037 12.172 ( -8.694 0.000 0.000) 8.694 12.179 ( 2.673 0.000 0.000) 2.673 12.181 ( 6.855 0.000 0.000) 6.855 12.297 ( 3.171 0.000 0.000) 3.171 12.299 ( -9.017 0.000 0.000) 9.017 12.336 ( 8.301 0.000 0.000) 8.301 12.356 ( -15.752 0.000 0.000) 15.752 12.635 ( -5.924 0.000 0.000) 5.924 12.745 ( 15.141 0.000 0.000) 15.141 12.767 ( -26.222 0.000 0.000) 26.222 12.886 ( 0.230 0.000 0.000) 0.230 12.977 ( 3.823 0.000 0.000) 3.823 13.021 ( 3.334 0.000 0.000) 3.334 13.075 ( 3.088 0.000 0.000) 3.088 13.376 ( -11.033 0.000 0.000) 11.033 13.381 ( 11.376 0.000 0.000) 11.376 13.442 ( 3.953 0.000 0.000) 3.953 13.471 ( 0.464 0.000 0.000) 0.464 13.549 ( -1.786 0.000 0.000) 1.786 13.602 ( -9.001 0.000 0.000) 9.001 13.867 ( -0.775 0.000 0.000) 0.775 14.026 ( 15.911 0.000 0.000) 15.911 14.068 ( 6.223 0.000 0.000) 6.223 14.238 ( -1.166 0.000 0.000) 1.166 14.268 ( 10.504 0.000 0.000) 10.504 14.530 ( -5.471 0.000 0.000) 5.471 14.825 ( 0.011 0.000 0.000) 0.011 14.975 ( -8.502 0.000 0.000) 8.502 15.095 ( 12.701 0.000 0.000) 12.701 15.385 ( -1.031 0.000 0.000) 1.031 15.489 ( -12.441 0.000 0.000) 12.441 15.529 ( 0.939 0.000 0.000) 0.939 15.736 ( -10.871 0.000 0.000) 10.871 15.796 ( 6.971 0.000 0.000) 6.971 15.920 ( 4.312 0.000 0.000) 4.312 16.001 ( -2.203 0.000 0.000) 2.203 16.230 ( -28.062 0.000 0.000) 28.062 16.441 ( -27.502 0.000 0.000) 27.502 16.934 ( 8.527 0.000 0.000) 8.527 16.953 ( 20.608 0.000 0.000) 20.608 17.057 ( 13.019 0.000 0.000) 13.019 17.246 ( 2.470 0.000 0.000) 2.470 17.462 ( 6.533 0.000 0.000) 6.533 17.644 ( 7.000 0.000 0.000) 7.000 17.710 ( 15.925 0.000 0.000) 15.925 17.802 ( -4.389 0.000 0.000) 4.389 17.851 ( -12.996 0.000 0.000) 12.996 17.998 ( -19.079 0.000 0.000) 19.079 18.226 ( 8.487 0.000 0.000) 8.487 18.275 ( -0.893 0.000 0.000) 0.893 18.400 ( -5.316 0.000 0.000) 5.316 18.428 ( -2.045 0.000 0.000) 2.045 18.727 ( 5.501 0.000 0.000) 5.501 18.790 ( -3.735 0.000 0.000) 3.735 18.827 ( -1.598 0.000 0.000) 1.598 18.858 ( -4.001 0.000 0.000) 4.001 18.871 ( -3.810 0.000 0.000) 3.810 18.971 ( -9.718 0.000 0.000) 9.718 19.093 ( 7.868 0.000 0.000) 7.868 19.327 ( -0.388 0.000 0.000) 0.388 19.502 ( -0.294 0.000 0.000) 0.294 19.555 ( -0.906 0.000 0.000) 0.906 19.589 ( 15.454 0.000 0.000) 15.454 19.753 ( 14.606 0.000 0.000) 14.606 20.016 ( 14.727 0.000 0.000) 14.727 20.173 ( 9.255 0.000 0.000) 9.255 20.439 ( -1.820 0.000 0.000) 1.820 20.504 ( -8.200 0.000 0.000) 8.200 20.711 ( -7.921 0.000 0.000) 7.921 20.968 ( 6.119 0.000 0.000) 6.119 21.003 ( -6.631 0.000 0.000) 6.631 21.068 ( 3.738 0.000 0.000) 3.738 21.130 ( -0.046 0.000 0.000) 0.046 21.199 ( -11.759 0.000 0.000) 11.759 21.293 ( -11.155 0.000 0.000) 11.155 21.425 ( -7.875 0.000 0.000) 7.875 21.461 ( 6.374 0.000 0.000) 6.374 21.538 ( 14.621 0.000 0.000) 14.621 22.167 ( -15.163 0.000 0.000) 15.163 22.284 ( -23.758 0.000 0.000) 23.758 22.386 ( 18.793 0.000 0.000) 18.793 22.557 ( -4.536 0.000 0.000) 4.536 22.932 ( 16.897 0.000 0.000) 16.897 22.978 ( 5.021 0.000 0.000) 5.021 23.110 ( -10.200 0.000 0.000) 10.200 23.259 ( 7.914 0.000 0.000) 7.914 23.323 ( 2.940 0.000 0.000) 2.940 23.462 ( 8.214 0.000 0.000) 8.214 23.477 ( -6.639 0.000 0.000) 6.639 23.775 ( -1.010 0.000 0.000) 1.010 23.878 ( -12.507 0.000 0.000) 12.507 23.918 ( -4.532 0.000 0.000) 4.532 24.212 ( 0.831 0.000 0.000) 0.831 24.406 ( 5.045 0.000 0.000) 5.045 24.443 ( 2.046 0.000 0.000) 2.046 24.507 ( -9.588 0.000 0.000) 9.588 24.621 ( -9.198 0.000 0.000) 9.198 24.671 ( 0.599 0.000 0.000) 0.599 24.875 ( 4.919 0.000 0.000) 4.919 25.285 ( 17.653 0.000 0.000) 17.653 25.508 ( -20.756 0.000 0.000) 20.756 25.639 ( 12.542 0.000 0.000) 12.542 25.799 ( -3.622 0.000 0.000) 3.622 25.887 ( 13.480 0.000 0.000) 13.480 26.196 ( -6.738 0.000 0.000) 6.738 26.216 ( -11.904 0.000 0.000) 11.904 26.426 ( 11.872 0.000 0.000) 11.872 26.713 ( 1.083 0.000 0.000) 1.083 26.909 ( 2.363 0.000 0.000) 2.363 26.935 ( 38.132 0.000 0.000) 38.132 27.726 ( -2.435 0.000 0.000) 2.435 27.746 ( -28.758 0.000 0.000) 28.758 27.783 ( -1.035 0.000 0.000) 1.035 28.393 ( 5.168 0.000 0.000) 5.168 28.567 ( -40.148 0.000 0.000) 40.148 28.655 ( -5.662 0.000 0.000) 5.662 28.864 ( -5.002 0.000 0.000) 5.002 28.950 ( -8.475 0.000 0.000) 8.475 28.955 ( 17.012 0.000 0.000) 17.012 29.409 ( 17.684 0.000 0.000) 17.684 29.468 ( 14.959 0.000 0.000) 14.959 29.482 ( -8.569 0.000 0.000) 8.569 29.845 ( 17.108 0.000 0.000) 17.108 29.961 ( -1.870 0.000 0.000) 1.870 30.064 ( -9.708 0.000 0.000) 9.708 30.126 ( 11.860 0.000 0.000) 11.860 30.370 ( -15.362 0.000 0.000) 15.362 30.461 ( -0.523 0.000 0.000) 0.523 30.528 ( 11.409 0.000 0.000) 11.409 30.817 ( -1.083 0.000 0.000) 1.083 30.970 ( -10.882 0.000 0.000) 10.882 31.030 ( -9.632 0.000 0.000) 9.632 31.254 ( 6.793 0.000 0.000) 6.793 31.294 ( 7.826 0.000 0.000) 7.826 31.445 ( 9.658 0.000 0.000) 9.658 31.648 ( 3.451 0.000 0.000) 3.451 31.865 ( -11.423 0.000 0.000) 11.423 31.990 ( -11.076 0.000 0.000) 11.076 32.102 ( 1.771 0.000 0.000) 1.771 32.166 ( 0.812 0.000 0.000) 0.812 32.283 ( -0.523 0.000 0.000) 0.523 32.305 ( -1.562 0.000 0.000) 1.562 32.861 ( 9.988 0.000 0.000) 9.988 32.957 ( 7.957 0.000 0.000) 7.957 33.072 ( 1.063 0.000 0.000) 1.063 33.119 ( -1.090 0.000 0.000) 1.090 33.168 ( 0.507 0.000 0.000) 0.507 33.264 ( -2.221 0.000 0.000) 2.221 33.540 ( 4.718 0.000 0.000) 4.718 33.795 ( -0.155 0.000 0.000) 0.155 33.797 ( -0.276 0.000 0.000) 0.276 33.850 ( -7.789 0.000 0.000) 7.789 34.601 ( 1.708 0.000 0.000) 1.708 34.772 ( -5.082 0.000 0.000) 5.082 ======================= Grid point 2 (3/54) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -5.956 0.000 0.000) 5.956 1.335 ( 5.956 0.000 0.000) 5.956 1.596 ( -15.044 0.000 0.000) 15.044 1.596 ( 15.044 0.000 0.000) 15.044 2.510 ( -1.731 0.000 0.000) 1.731 2.510 ( 1.731 0.000 0.000) 1.731 2.626 ( -12.410 0.000 0.000) 12.410 2.626 ( 12.410 0.000 0.000) 12.410 2.842 ( -2.793 0.000 0.000) 2.793 2.842 ( 2.793 0.000 0.000) 2.793 2.849 ( -48.351 0.000 0.000) 48.351 2.849 ( 48.351 0.000 0.000) 48.351 3.058 ( -5.189 0.000 0.000) 5.189 3.058 ( 5.189 0.000 0.000) 5.189 3.182 ( -2.543 0.000 0.000) 2.543 3.182 ( 2.543 0.000 0.000) 2.543 3.214 ( -5.602 0.000 0.000) 5.602 3.214 ( 5.602 0.000 0.000) 5.602 3.355 ( -3.711 0.000 0.000) 3.711 3.355 ( 3.711 0.000 0.000) 3.711 3.568 ( -3.763 0.000 0.000) 3.763 3.568 ( 3.763 0.000 0.000) 3.763 3.843 ( -5.929 0.000 0.000) 5.929 3.843 ( 5.929 0.000 0.000) 5.929 4.154 ( -0.119 0.000 0.000) 0.119 4.154 ( 0.119 0.000 0.000) 0.119 4.217 ( -2.165 0.000 0.000) 2.165 4.217 ( 2.165 0.000 0.000) 2.165 4.618 ( -4.731 0.000 0.000) 4.731 4.618 ( 4.731 0.000 0.000) 4.731 4.817 ( -0.313 0.000 0.000) 0.313 4.817 ( 0.313 0.000 0.000) 0.313 5.394 ( -11.825 0.000 0.000) 11.825 5.394 ( 11.825 0.000 0.000) 11.825 5.657 ( -13.505 0.000 0.000) 13.505 5.657 ( 13.505 0.000 0.000) 13.505 6.287 ( -4.032 0.000 0.000) 4.032 6.287 ( 4.032 0.000 0.000) 4.032 6.592 ( -5.849 0.000 0.000) 5.849 6.592 ( 5.849 0.000 0.000) 5.849 6.602 ( -11.318 0.000 0.000) 11.318 6.602 ( 11.318 0.000 0.000) 11.318 7.032 ( -13.193 0.000 0.000) 13.193 7.032 ( 13.193 0.000 0.000) 13.193 7.437 ( -1.814 0.000 0.000) 1.814 7.437 ( 1.814 0.000 0.000) 1.814 7.617 ( -2.382 0.000 0.000) 2.382 7.617 ( 2.382 0.000 0.000) 2.382 7.660 ( -6.551 0.000 0.000) 6.551 7.660 ( 6.551 0.000 0.000) 6.551 7.756 ( -13.164 0.000 0.000) 13.164 7.756 ( 13.164 0.000 0.000) 13.164 8.014 ( -6.277 0.000 0.000) 6.277 8.014 ( 6.277 0.000 0.000) 6.277 8.306 ( -12.596 0.000 0.000) 12.596 8.306 ( 12.596 0.000 0.000) 12.596 8.687 ( -1.359 0.000 0.000) 1.359 8.687 ( 1.359 0.000 0.000) 1.359 8.832 ( -2.419 0.000 0.000) 2.419 8.832 ( 2.419 0.000 0.000) 2.419 9.035 ( -1.385 0.000 0.000) 1.385 9.035 ( 1.385 0.000 0.000) 1.385 9.498 ( -16.074 0.000 0.000) 16.074 9.498 ( 16.074 0.000 0.000) 16.074 9.604 ( -8.163 0.000 0.000) 8.163 9.604 ( 8.163 0.000 0.000) 8.163 10.035 ( -12.831 0.000 0.000) 12.831 10.035 ( 12.831 0.000 0.000) 12.831 10.184 ( -24.134 0.000 0.000) 24.134 10.184 ( 24.134 0.000 0.000) 24.134 10.320 ( -1.959 0.000 0.000) 1.959 10.320 ( 1.959 0.000 0.000) 1.959 10.718 ( -6.183 0.000 0.000) 6.183 10.718 ( 6.183 0.000 0.000) 6.183 10.795 ( -13.473 0.000 0.000) 13.473 10.795 ( 13.473 0.000 0.000) 13.473 11.327 ( -2.693 0.000 0.000) 2.693 11.327 ( 2.693 0.000 0.000) 2.693 11.419 ( -1.685 0.000 0.000) 1.685 11.419 ( 1.685 0.000 0.000) 1.685 11.480 ( -3.016 0.000 0.000) 3.016 11.480 ( 3.016 0.000 0.000) 3.016 11.824 ( -18.738 0.000 0.000) 18.738 11.824 ( 18.738 0.000 0.000) 18.738 12.047 ( -3.602 0.000 0.000) 3.602 12.047 ( 3.602 0.000 0.000) 3.602 12.086 ( -13.792 0.000 0.000) 13.792 12.086 ( 13.792 0.000 0.000) 13.792 12.172 ( -3.560 0.000 0.000) 3.560 12.172 ( 3.560 0.000 0.000) 3.560 12.377 ( -7.462 0.000 0.000) 7.462 12.377 ( 7.462 0.000 0.000) 7.462 12.411 ( -13.485 0.000 0.000) 13.485 12.411 ( 13.485 0.000 0.000) 13.485 12.635 ( -16.418 0.000 0.000) 16.418 12.635 ( 16.418 0.000 0.000) 16.418 12.998 ( -6.692 0.000 0.000) 6.692 12.998 ( 6.692 0.000 0.000) 6.692 13.188 ( -7.883 0.000 0.000) 7.883 13.188 ( 7.883 0.000 0.000) 7.883 13.273 ( -17.032 0.000 0.000) 17.032 13.273 ( 17.032 0.000 0.000) 17.032 13.474 ( -1.668 0.000 0.000) 1.668 13.474 ( 1.668 0.000 0.000) 1.668 13.506 ( -2.710 0.000 0.000) 2.710 13.506 ( 2.710 0.000 0.000) 2.710 14.020 ( -12.679 0.000 0.000) 12.679 14.020 ( 12.679 0.000 0.000) 12.679 14.311 ( -15.478 0.000 0.000) 15.478 14.311 ( 15.478 0.000 0.000) 15.478 14.352 ( -4.299 0.000 0.000) 4.299 14.352 ( 4.299 0.000 0.000) 4.299 14.840 ( -3.526 0.000 0.000) 3.526 14.840 ( 3.526 0.000 0.000) 3.526 15.354 ( -9.554 0.000 0.000) 9.554 15.354 ( 9.554 0.000 0.000) 9.554 15.470 ( -6.882 0.000 0.000) 6.882 15.470 ( 6.882 0.000 0.000) 6.882 15.685 ( -16.440 0.000 0.000) 16.440 15.685 ( 16.440 0.000 0.000) 16.440 15.948 ( -4.557 0.000 0.000) 4.557 15.948 ( 4.557 0.000 0.000) 4.557 16.050 ( -11.216 0.000 0.000) 11.216 16.050 ( 11.216 0.000 0.000) 11.216 17.100 ( -5.989 0.000 0.000) 5.989 17.100 ( 5.989 0.000 0.000) 5.989 17.359 ( -12.311 0.000 0.000) 12.311 17.359 ( 12.311 0.000 0.000) 12.311 17.457 ( -20.249 0.000 0.000) 20.249 17.457 ( 20.249 0.000 0.000) 20.249 17.722 ( -0.488 0.000 0.000) 0.488 17.722 ( 0.488 0.000 0.000) 0.488 17.890 ( -2.410 0.000 0.000) 2.410 17.890 ( 2.410 0.000 0.000) 2.410 18.289 ( -3.363 0.000 0.000) 3.363 18.289 ( 3.363 0.000 0.000) 3.363 18.394 ( -4.455 0.000 0.000) 4.455 18.394 ( 4.455 0.000 0.000) 4.455 18.768 ( -0.638 0.000 0.000) 0.638 18.768 ( 0.638 0.000 0.000) 0.638 18.813 ( -3.074 0.000 0.000) 3.074 18.813 ( 3.074 0.000 0.000) 3.074 18.818 ( -0.600 0.000 0.000) 0.600 18.818 ( 0.600 0.000 0.000) 0.600 19.245 ( -7.155 0.000 0.000) 7.155 19.245 ( 7.155 0.000 0.000) 7.155 19.526 ( -2.075 0.000 0.000) 2.075 19.526 ( 2.075 0.000 0.000) 2.075 19.857 ( -7.204 0.000 0.000) 7.204 19.857 ( 7.204 0.000 0.000) 7.204 20.271 ( -5.810 0.000 0.000) 5.810 20.271 ( 5.810 0.000 0.000) 5.810 20.391 ( -1.286 0.000 0.000) 1.286 20.391 ( 1.286 0.000 0.000) 1.286 20.756 ( -11.232 0.000 0.000) 11.232 20.756 ( 11.232 0.000 0.000) 11.232 21.118 ( -4.199 0.000 0.000) 4.199 21.118 ( 4.199 0.000 0.000) 4.199 21.129 ( -0.086 0.000 0.000) 0.086 21.129 ( 0.086 0.000 0.000) 0.086 21.195 ( -14.069 0.000 0.000) 14.069 21.195 ( 14.069 0.000 0.000) 14.069 21.604 ( -5.768 0.000 0.000) 5.768 21.604 ( 5.768 0.000 0.000) 5.768 21.993 ( -1.740 0.000 0.000) 1.740 21.993 ( 1.740 0.000 0.000) 1.740 22.610 ( -2.200 0.000 0.000) 2.200 22.610 ( 2.200 0.000 0.000) 2.200 22.962 ( -1.256 0.000 0.000) 1.256 22.962 ( 1.256 0.000 0.000) 1.256 23.239 ( -12.326 0.000 0.000) 12.326 23.239 ( 12.326 0.000 0.000) 12.326 23.370 ( -1.420 0.000 0.000) 1.420 23.370 ( 1.420 0.000 0.000) 1.420 23.642 ( -9.285 0.000 0.000) 9.285 23.642 ( 9.285 0.000 0.000) 9.285 23.824 ( -3.750 0.000 0.000) 3.750 23.824 ( 3.750 0.000 0.000) 3.750 24.299 ( -8.441 0.000 0.000) 8.441 24.299 ( 8.441 0.000 0.000) 8.441 24.500 ( -4.540 0.000 0.000) 4.540 24.500 ( 4.540 0.000 0.000) 4.540 24.532 ( -7.426 0.000 0.000) 7.426 24.532 ( 7.426 0.000 0.000) 7.426 25.144 ( -16.575 0.000 0.000) 16.575 25.144 ( 16.575 0.000 0.000) 16.575 25.633 ( -14.265 0.000 0.000) 14.265 25.633 ( 14.265 0.000 0.000) 14.265 25.928 ( -15.823 0.000 0.000) 15.823 25.928 ( 15.823 0.000 0.000) 15.823 26.059 ( -6.276 0.000 0.000) 6.276 26.059 ( 6.276 0.000 0.000) 6.276 26.690 ( -6.495 0.000 0.000) 6.495 26.690 ( 6.495 0.000 0.000) 6.495 27.126 ( -24.906 0.000 0.000) 24.906 27.126 ( 24.906 0.000 0.000) 24.906 27.742 ( -42.397 0.000 0.000) 42.397 27.742 ( 42.397 0.000 0.000) 42.397 27.757 ( -1.544 0.000 0.000) 1.544 27.757 ( 1.544 0.000 0.000) 1.544 28.520 ( -7.177 0.000 0.000) 7.177 28.520 ( 7.177 0.000 0.000) 7.177 28.840 ( -2.445 0.000 0.000) 2.445 28.840 ( 2.445 0.000 0.000) 2.445 29.260 ( -13.514 0.000 0.000) 13.514 29.260 ( 13.514 0.000 0.000) 13.514 29.686 ( -0.909 0.000 0.000) 0.909 29.686 ( 0.909 0.000 0.000) 0.909 29.895 ( -0.627 0.000 0.000) 0.627 29.895 ( 0.627 0.000 0.000) 0.627 30.085 ( -10.998 0.000 0.000) 10.998 30.085 ( 10.998 0.000 0.000) 10.998 30.365 ( -9.928 0.000 0.000) 9.928 30.365 ( 9.928 0.000 0.000) 9.928 30.793 ( -13.794 0.000 0.000) 13.794 30.793 ( 13.794 0.000 0.000) 13.794 30.823 ( -3.033 0.000 0.000) 3.033 30.823 ( 3.033 0.000 0.000) 3.033 31.368 ( -2.282 0.000 0.000) 2.282 31.368 ( 2.282 0.000 0.000) 2.282 31.644 ( -10.671 0.000 0.000) 10.671 31.644 ( 10.671 0.000 0.000) 10.671 31.764 ( -9.626 0.000 0.000) 9.626 31.764 ( 9.626 0.000 0.000) 9.626 32.145 ( -2.178 0.000 0.000) 2.178 32.145 ( 2.178 0.000 0.000) 2.178 32.283 ( -0.674 0.000 0.000) 0.674 32.283 ( 0.674 0.000 0.000) 0.674 33.038 ( -5.760 0.000 0.000) 5.760 33.038 ( 5.760 0.000 0.000) 5.760 33.080 ( -3.598 0.000 0.000) 3.598 33.080 ( 3.598 0.000 0.000) 3.598 33.203 ( -3.225 0.000 0.000) 3.225 33.203 ( 3.225 0.000 0.000) 3.225 33.672 ( -8.690 0.000 0.000) 8.690 33.672 ( 8.690 0.000 0.000) 8.690 33.793 ( -0.057 0.000 0.000) 0.057 33.793 ( 0.057 0.000 0.000) 0.057 34.665 ( -4.804 0.000 0.000) 4.804 34.665 ( 4.804 0.000 0.000) 4.804 ======================= Grid point 5 (4/54) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.596 ( 0.000 29.074 0.000) 29.074 0.613 ( 0.000 29.924 0.000) 29.924 0.813 ( 0.000 40.327 0.000) 40.327 1.978 ( 0.000 8.109 0.000) 8.109 2.069 ( 0.000 8.378 0.000) 8.378 2.606 ( 0.000 -6.154 0.000) 6.154 2.646 ( 0.000 4.501 0.000) 4.501 2.653 ( 0.000 -4.990 0.000) 4.990 2.703 ( 0.000 6.624 0.000) 6.624 2.819 ( 0.000 2.846 0.000) 2.846 2.858 ( 0.000 0.540 0.000) 0.540 2.887 ( 0.000 8.052 0.000) 8.052 2.980 ( 0.000 1.083 0.000) 1.083 3.012 ( 0.000 3.666 0.000) 3.666 3.229 ( 0.000 2.153 0.000) 2.153 3.334 ( 0.000 0.676 0.000) 0.676 3.394 ( 0.000 -2.774 0.000) 2.774 3.405 ( 0.000 -1.035 0.000) 1.035 3.471 ( 0.000 0.817 0.000) 0.817 3.541 ( 0.000 -2.624 0.000) 2.624 3.594 ( 0.000 -5.817 0.000) 5.817 3.707 ( 0.000 -4.998 0.000) 4.998 3.884 ( 0.000 -1.748 0.000) 1.748 3.890 ( 0.000 2.499 0.000) 2.499 3.979 ( 0.000 -1.882 0.000) 1.882 4.200 ( 0.000 4.288 0.000) 4.288 4.347 ( 0.000 -1.208 0.000) 1.208 4.417 ( 0.000 -2.205 0.000) 2.205 4.642 ( 0.000 -7.611 0.000) 7.611 4.823 ( 0.000 -2.414 0.000) 2.414 4.836 ( 0.000 -1.692 0.000) 1.692 4.974 ( 0.000 -3.574 0.000) 3.574 4.989 ( 0.000 0.037 0.000) 0.037 5.049 ( 0.000 3.529 0.000) 3.529 5.727 ( 0.000 -0.399 0.000) 0.399 5.915 ( 0.000 -1.337 0.000) 1.337 6.018 ( 0.000 -4.690 0.000) 4.690 6.184 ( 0.000 2.744 0.000) 2.744 6.198 ( 0.000 0.779 0.000) 0.779 6.473 ( 0.000 0.287 0.000) 0.287 6.619 ( 0.000 -1.851 0.000) 1.851 6.647 ( 0.000 1.363 0.000) 1.363 6.917 ( 0.000 -11.806 0.000) 11.806 7.156 ( 0.000 -6.467 0.000) 6.467 7.180 ( 0.000 -0.819 0.000) 0.819 7.313 ( 0.000 0.905 0.000) 0.905 7.348 ( 0.000 -5.484 0.000) 5.484 7.605 ( 0.000 10.658 0.000) 10.658 7.669 ( 0.000 1.905 0.000) 1.905 7.812 ( 0.000 -1.734 0.000) 1.734 7.871 ( 0.000 1.706 0.000) 1.706 7.947 ( 0.000 0.201 0.000) 0.201 8.101 ( 0.000 3.172 0.000) 3.172 8.189 ( 0.000 9.623 0.000) 9.623 8.232 ( 0.000 0.362 0.000) 0.362 8.452 ( 0.000 -1.479 0.000) 1.479 8.715 ( 0.000 3.096 0.000) 3.096 8.731 ( 0.000 1.994 0.000) 1.994 8.801 ( 0.000 0.018 0.000) 0.018 9.013 ( 0.000 -0.435 0.000) 0.435 9.152 ( 0.000 -0.962 0.000) 0.962 9.369 ( 0.000 -0.717 0.000) 0.717 9.607 ( 0.000 -6.673 0.000) 6.673 9.795 ( 0.000 -2.841 0.000) 2.841 9.816 ( 0.000 -0.719 0.000) 0.719 9.833 ( 0.000 0.551 0.000) 0.551 9.932 ( 0.000 -0.390 0.000) 0.390 9.981 ( 0.000 -1.288 0.000) 1.288 10.090 ( 0.000 0.803 0.000) 0.803 10.153 ( 0.000 -0.980 0.000) 0.980 10.442 ( 0.000 0.017 0.000) 0.017 10.447 ( 0.000 -0.327 0.000) 0.327 10.732 ( 0.000 -0.076 0.000) 0.076 10.821 ( 0.000 -7.959 0.000) 7.959 10.954 ( 0.000 -2.846 0.000) 2.846 11.171 ( 0.000 -1.308 0.000) 1.308 11.254 ( 0.000 -3.630 0.000) 3.630 11.261 ( 0.000 3.114 0.000) 3.114 11.308 ( 0.000 -0.251 0.000) 0.251 11.332 ( 0.000 -4.887 0.000) 4.887 11.353 ( 0.000 -6.789 0.000) 6.789 11.364 ( 0.000 -1.186 0.000) 1.186 11.469 ( 0.000 -2.065 0.000) 2.065 11.624 ( 0.000 1.458 0.000) 1.458 11.715 ( 0.000 -4.518 0.000) 4.518 12.059 ( 0.000 -2.817 0.000) 2.817 12.124 ( 0.000 0.046 0.000) 0.046 12.219 ( 0.000 -0.753 0.000) 0.753 12.236 ( 0.000 -0.148 0.000) 0.148 12.238 ( 0.000 2.693 0.000) 2.693 12.268 ( 0.000 1.797 0.000) 1.797 12.437 ( 0.000 -3.590 0.000) 3.590 12.598 ( 0.000 7.066 0.000) 7.066 12.647 ( 0.000 -0.675 0.000) 0.675 12.679 ( 0.000 1.100 0.000) 1.100 12.779 ( 0.000 -11.215 0.000) 11.215 12.850 ( 0.000 4.165 0.000) 4.165 12.944 ( 0.000 -3.108 0.000) 3.108 13.041 ( 0.000 1.120 0.000) 1.120 13.173 ( 0.000 2.024 0.000) 2.024 13.355 ( 0.000 5.003 0.000) 5.003 13.362 ( 0.000 -4.497 0.000) 4.497 13.376 ( 0.000 -0.934 0.000) 0.934 13.542 ( 0.000 2.479 0.000) 2.479 13.599 ( 0.000 -1.081 0.000) 1.081 13.655 ( 0.000 -3.155 0.000) 3.155 13.769 ( 0.000 -1.673 0.000) 1.673 13.930 ( 0.000 6.126 0.000) 6.126 14.027 ( 0.000 0.168 0.000) 0.168 14.087 ( 0.000 -5.842 0.000) 5.842 14.252 ( 0.000 0.630 0.000) 0.630 14.602 ( 0.000 2.872 0.000) 2.872 14.814 ( 0.000 -7.249 0.000) 7.249 14.832 ( 0.000 1.259 0.000) 1.259 15.254 ( 0.000 11.182 0.000) 11.182 15.438 ( 0.000 0.768 0.000) 0.768 15.623 ( 0.000 5.304 0.000) 5.304 15.645 ( 0.000 -3.086 0.000) 3.086 15.751 ( 0.000 3.157 0.000) 3.157 15.784 ( 0.000 -3.595 0.000) 3.595 15.886 ( 0.000 0.041 0.000) 0.041 16.115 ( 0.000 -1.045 0.000) 1.045 16.545 ( 0.000 1.330 0.000) 1.330 16.588 ( 0.000 -0.758 0.000) 0.758 16.747 ( 0.000 -1.240 0.000) 1.240 16.967 ( 0.000 0.461 0.000) 0.461 17.001 ( 0.000 6.917 0.000) 6.917 17.155 ( 0.000 1.278 0.000) 1.278 17.390 ( 0.000 0.541 0.000) 0.541 17.393 ( 0.000 3.367 0.000) 3.367 17.560 ( 0.000 0.458 0.000) 0.458 17.832 ( 0.000 -0.900 0.000) 0.900 18.007 ( 0.000 -1.524 0.000) 1.524 18.129 ( 0.000 -0.037 0.000) 0.037 18.155 ( 0.000 -0.505 0.000) 0.505 18.273 ( 0.000 -1.894 0.000) 1.894 18.315 ( 0.000 1.899 0.000) 1.899 18.449 ( 0.000 -0.401 0.000) 0.401 18.525 ( 0.000 4.773 0.000) 4.773 18.628 ( 0.000 0.076 0.000) 0.076 18.830 ( 0.000 -0.193 0.000) 0.193 18.883 ( 0.000 -0.194 0.000) 0.194 18.902 ( 0.000 -1.266 0.000) 1.266 18.925 ( 0.000 -0.216 0.000) 0.216 19.107 ( 0.000 1.053 0.000) 1.053 19.308 ( 0.000 -0.911 0.000) 0.911 19.397 ( 0.000 -0.127 0.000) 0.127 19.488 ( 0.000 -1.902 0.000) 1.902 19.499 ( 0.000 -0.875 0.000) 0.875 19.605 ( 0.000 3.591 0.000) 3.591 19.854 ( 0.000 0.546 0.000) 0.546 20.067 ( 0.000 -0.100 0.000) 0.100 20.458 ( 0.000 0.118 0.000) 0.118 20.626 ( 0.000 1.844 0.000) 1.844 20.942 ( 0.000 -0.511 0.000) 0.511 20.942 ( 0.000 0.595 0.000) 0.595 21.009 ( 0.000 0.774 0.000) 0.774 21.032 ( 0.000 -0.222 0.000) 0.222 21.089 ( 0.000 -3.753 0.000) 3.753 21.216 ( 0.000 0.203 0.000) 0.203 21.222 ( 0.000 -0.837 0.000) 0.837 21.386 ( 0.000 -0.710 0.000) 0.710 21.442 ( 0.000 1.655 0.000) 1.655 21.501 ( 0.000 -0.303 0.000) 0.303 22.121 ( 0.000 -0.472 0.000) 0.472 22.414 ( 0.000 0.897 0.000) 0.897 22.638 ( 0.000 0.320 0.000) 0.320 22.689 ( 0.000 0.620 0.000) 0.620 22.730 ( 0.000 1.096 0.000) 1.096 22.760 ( 0.000 -5.798 0.000) 5.798 23.094 ( 0.000 -0.711 0.000) 0.711 23.244 ( 0.000 1.846 0.000) 1.846 23.275 ( 0.000 -1.200 0.000) 1.200 23.307 ( 0.000 -2.118 0.000) 2.118 23.563 ( 0.000 0.664 0.000) 0.664 23.789 ( 0.000 0.659 0.000) 0.659 23.991 ( 0.000 2.262 0.000) 2.262 24.057 ( 0.000 -1.662 0.000) 1.662 24.207 ( 0.000 0.109 0.000) 0.109 24.221 ( 0.000 -0.163 0.000) 0.163 24.342 ( 0.000 0.551 0.000) 0.551 24.532 ( 0.000 0.263 0.000) 0.263 24.663 ( 0.000 2.851 0.000) 2.851 24.727 ( 0.000 0.247 0.000) 0.247 24.928 ( 0.000 -0.072 0.000) 0.072 25.004 ( 0.000 -0.066 0.000) 0.066 25.113 ( 0.000 0.348 0.000) 0.348 25.441 ( 0.000 -4.715 0.000) 4.715 25.640 ( 0.000 -3.232 0.000) 3.232 25.836 ( 0.000 0.673 0.000) 0.673 25.847 ( 0.000 0.409 0.000) 0.409 26.281 ( 0.000 1.077 0.000) 1.077 26.328 ( 0.000 -5.161 0.000) 5.161 26.360 ( 0.000 -0.727 0.000) 0.727 26.516 ( 0.000 -0.526 0.000) 0.526 26.697 ( 0.000 0.019 0.000) 0.019 26.893 ( 0.000 0.057 0.000) 0.057 27.716 ( 0.000 0.054 0.000) 0.054 27.850 ( 0.000 -1.489 0.000) 1.489 28.172 ( 0.000 -1.505 0.000) 1.505 28.341 ( 0.000 0.263 0.000) 0.263 28.602 ( 0.000 -3.325 0.000) 3.325 28.754 ( 0.000 -0.881 0.000) 0.881 28.871 ( 0.000 -17.327 0.000) 17.327 28.988 ( 0.000 -0.921 0.000) 0.921 29.189 ( 0.000 -2.900 0.000) 2.900 29.212 ( 0.000 -0.422 0.000) 0.422 29.287 ( 0.000 -2.586 0.000) 2.586 29.290 ( 0.000 -10.817 0.000) 10.817 29.608 ( 0.000 -0.670 0.000) 0.670 30.016 ( 0.000 1.548 0.000) 1.548 30.108 ( 0.000 -6.788 0.000) 6.788 30.386 ( 0.000 -1.335 0.000) 1.335 30.448 ( 0.000 -0.559 0.000) 0.559 30.516 ( 0.000 -3.710 0.000) 3.710 30.835 ( 0.000 0.208 0.000) 0.208 30.975 ( 0.000 0.149 0.000) 0.149 31.086 ( 0.000 -4.145 0.000) 4.145 31.108 ( 0.000 -6.164 0.000) 6.164 31.132 ( 0.000 -1.388 0.000) 1.388 31.392 ( 0.000 -3.019 0.000) 3.019 31.413 ( 0.000 2.782 0.000) 2.782 31.679 ( 0.000 -26.553 0.000) 26.553 31.968 ( 0.000 -16.430 0.000) 16.430 32.008 ( 0.000 -6.512 0.000) 6.512 32.022 ( 0.000 -2.170 0.000) 2.170 32.239 ( 0.000 -4.610 0.000) 4.610 32.338 ( 0.000 0.765 0.000) 0.765 32.354 ( 0.000 8.936 0.000) 8.936 32.671 ( 0.000 -15.199 0.000) 15.199 32.949 ( 0.000 -10.556 0.000) 10.556 33.008 ( 0.000 -10.825 0.000) 10.825 33.196 ( 0.000 24.824 0.000) 24.824 33.262 ( 0.000 1.525 0.000) 1.525 33.751 ( 0.000 -2.156 0.000) 2.156 33.754 ( 0.000 11.635 0.000) 11.635 33.843 ( 0.000 6.518 0.000) 6.518 34.514 ( 0.000 8.227 0.000) 8.227 34.779 ( 0.000 15.830 0.000) 15.830 39.024 ( 0.000 -20.297 0.000) 20.297 ======================= Grid point 6 (5/54) ======================= q-point: ( 0.25 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 28.002 17.207 0.000) 32.867 1.037 ( 24.886 22.702 0.000) 33.685 1.604 ( 49.958 6.195 0.000) 50.341 1.935 ( 5.486 13.363 0.000) 14.445 2.037 ( -9.667 4.288 0.000) 10.575 2.497 ( -2.240 3.490 0.000) 4.147 2.561 ( -1.826 -0.506 0.000) 1.895 2.638 ( -4.561 4.403 0.000) 6.340 2.709 ( 4.918 5.069 0.000) 7.063 2.857 ( 2.046 1.540 0.000) 2.561 2.912 ( 2.978 -0.319 0.000) 2.995 2.983 ( 2.170 2.460 0.000) 3.280 3.043 ( 5.928 3.064 0.000) 6.673 3.115 ( 9.489 2.338 0.000) 9.773 3.143 ( -10.864 2.177 0.000) 11.079 3.246 ( -0.454 1.983 0.000) 2.034 3.343 ( -4.855 -3.124 0.000) 5.773 3.424 ( -4.961 1.224 0.000) 5.110 3.453 ( -3.392 -2.502 0.000) 4.215 3.493 ( -11.132 -2.842 0.000) 11.489 3.507 ( 1.805 0.373 0.000) 1.843 3.715 ( 0.812 -5.944 0.000) 6.000 3.754 ( -9.873 4.170 0.000) 10.717 3.961 ( 1.465 -1.882 0.000) 2.385 4.054 ( 5.585 -2.648 0.000) 6.180 4.168 ( -8.043 -1.821 0.000) 8.246 4.273 ( -16.786 2.293 0.000) 16.942 4.277 ( -3.369 -0.241 0.000) 3.378 4.497 ( 4.433 -2.456 0.000) 5.068 4.635 ( -2.913 -6.220 0.000) 6.868 4.870 ( -6.577 -3.765 0.000) 7.579 4.885 ( -7.038 -3.159 0.000) 7.715 5.187 ( 10.801 2.549 0.000) 11.097 5.320 ( 20.036 -0.093 0.000) 20.036 5.612 ( -9.968 -0.400 0.000) 9.976 5.844 ( -6.900 -1.458 0.000) 7.052 6.161 ( 7.637 -1.042 0.000) 7.707 6.257 ( 5.949 0.702 0.000) 5.990 6.425 ( -1.456 -4.201 0.000) 4.446 6.496 ( 18.569 -6.416 0.000) 19.647 6.569 ( -1.561 0.418 0.000) 1.616 6.807 ( 11.808 1.081 0.000) 11.858 6.882 ( -14.132 -1.178 0.000) 14.181 7.152 ( -6.699 -5.981 0.000) 8.980 7.176 ( 19.850 -8.787 0.000) 21.708 7.243 ( 5.575 -1.524 0.000) 5.779 7.554 ( -3.121 4.901 0.000) 5.810 7.640 ( 1.073 -7.188 0.000) 7.267 7.690 ( -6.307 -0.017 0.000) 6.307 7.695 ( -0.802 3.731 0.000) 3.816 7.782 ( 0.870 -0.227 0.000) 0.899 7.937 ( 7.690 4.715 0.000) 9.021 8.063 ( -4.449 5.512 0.000) 7.084 8.077 ( -3.843 11.459 0.000) 12.086 8.419 ( -3.523 -2.164 0.000) 4.134 8.476 ( -1.926 5.918 0.000) 6.223 8.542 ( -2.976 3.075 0.000) 4.279 8.709 ( -0.309 2.359 0.000) 2.379 8.845 ( -10.805 11.824 0.000) 16.017 8.845 ( -13.355 -0.425 0.000) 13.362 9.083 ( 22.189 -0.191 0.000) 22.190 9.498 ( -25.835 -0.623 0.000) 25.842 9.599 ( -35.099 -4.571 0.000) 35.395 9.605 ( 9.026 -3.058 0.000) 9.530 9.663 ( -0.839 -0.629 0.000) 1.048 9.722 ( 1.864 0.089 0.000) 1.866 9.729 ( 1.261 -0.570 0.000) 1.384 9.790 ( -7.265 -0.462 0.000) 7.280 10.184 ( 8.773 0.951 0.000) 8.825 10.218 ( 7.638 -0.285 0.000) 7.643 10.299 ( -7.798 1.116 0.000) 7.878 10.427 ( 2.964 -4.041 0.000) 5.012 10.620 ( -7.652 -4.814 0.000) 9.041 10.733 ( -6.849 1.284 0.000) 6.969 10.928 ( -8.271 -2.202 0.000) 8.560 10.994 ( -13.004 0.332 0.000) 13.008 11.230 ( 2.499 -2.799 0.000) 3.752 11.285 ( 2.704 -5.028 0.000) 5.709 11.333 ( 3.788 -4.519 0.000) 5.896 11.367 ( 3.909 -0.104 0.000) 3.911 11.431 ( 3.885 -1.519 0.000) 4.171 11.448 ( 0.005 -1.170 0.000) 1.170 11.620 ( 7.843 5.742 0.000) 9.720 11.716 ( 17.338 -4.109 0.000) 17.819 11.809 ( 10.574 -0.139 0.000) 10.575 12.041 ( -1.396 -1.312 0.000) 1.916 12.113 ( -4.566 -3.567 0.000) 5.795 12.163 ( -5.875 -0.951 0.000) 5.951 12.240 ( 6.283 4.501 0.000) 7.728 12.281 ( -5.200 1.571 0.000) 5.432 12.356 ( 9.577 2.061 0.000) 9.797 12.386 ( -2.233 4.614 0.000) 5.126 12.438 ( -7.311 5.290 0.000) 9.024 12.596 ( -3.159 -4.033 0.000) 5.123 12.714 ( 12.413 -0.745 0.000) 12.435 12.723 ( -21.229 -3.273 0.000) 21.480 12.928 ( -3.976 3.187 0.000) 5.096 13.025 ( 8.022 -1.414 0.000) 8.145 13.045 ( 7.494 5.260 0.000) 9.156 13.076 ( -2.132 0.820 0.000) 2.284 13.287 ( 0.850 -6.517 0.000) 6.572 13.368 ( -7.016 -2.280 0.000) 7.378 13.418 ( -3.882 0.579 0.000) 3.925 13.495 ( 1.737 0.626 0.000) 1.846 13.594 ( 5.025 2.653 0.000) 5.682 13.657 ( -3.263 3.923 0.000) 5.102 13.814 ( -0.911 -3.537 0.000) 3.653 14.028 ( 5.619 -4.359 0.000) 7.112 14.033 ( 12.401 0.912 0.000) 12.434 14.217 ( -3.777 -1.547 0.000) 4.081 14.297 ( 13.563 2.653 0.000) 13.820 14.602 ( -2.224 6.200 0.000) 6.587 14.838 ( 0.796 1.162 0.000) 1.408 14.944 ( 8.150 -3.150 0.000) 8.738 15.180 ( -4.549 7.429 0.000) 8.711 15.372 ( -2.709 -1.275 0.000) 2.994 15.464 ( -11.848 -2.410 0.000) 12.090 15.588 ( -1.511 5.104 0.000) 5.323 15.705 ( -9.029 -2.887 0.000) 9.480 15.812 ( 5.260 1.440 0.000) 5.453 15.908 ( 1.869 -0.436 0.000) 1.919 16.030 ( 0.704 1.983 0.000) 2.105 16.226 ( -27.372 -0.383 0.000) 27.374 16.452 ( -26.953 1.026 0.000) 26.973 16.912 ( 9.714 -1.479 0.000) 9.826 16.924 ( 19.771 -2.156 0.000) 19.888 17.131 ( 12.521 6.389 0.000) 14.057 17.259 ( 1.837 1.237 0.000) 2.215 17.469 ( 5.918 0.647 0.000) 5.953 17.643 ( 6.652 0.061 0.000) 6.653 17.722 ( 14.894 0.914 0.000) 14.922 17.805 ( -2.824 0.271 0.000) 2.836 17.843 ( -11.552 -0.564 0.000) 11.566 18.030 ( -18.813 2.941 0.000) 19.042 18.225 ( 8.976 -0.096 0.000) 8.976 18.254 ( -0.880 -1.451 0.000) 1.697 18.392 ( -5.850 -0.961 0.000) 5.928 18.476 ( -2.396 4.033 0.000) 4.691 18.580 ( 11.655 -15.319 0.000) 19.249 18.725 ( 4.579 -0.279 0.000) 4.587 18.822 ( -0.671 -0.064 0.000) 0.674 18.850 ( -4.246 -1.811 0.000) 4.616 18.860 ( -3.599 -0.037 0.000) 3.599 18.977 ( -10.023 0.369 0.000) 10.030 19.049 ( 10.616 -1.876 0.000) 10.781 19.319 ( -0.363 -0.847 0.000) 0.921 19.485 ( 0.654 -1.446 0.000) 1.587 19.529 ( 0.821 -1.635 0.000) 1.830 19.602 ( 14.860 1.092 0.000) 14.900 19.769 ( 13.293 1.475 0.000) 13.375 20.028 ( 15.166 1.067 0.000) 15.204 20.179 ( 9.377 0.423 0.000) 9.387 20.440 ( -1.882 0.042 0.000) 1.883 20.524 ( -8.654 1.825 0.000) 8.844 20.713 ( -8.175 0.124 0.000) 8.176 20.969 ( 5.119 0.039 0.000) 5.119 21.003 ( -4.000 -0.041 0.000) 4.000 21.060 ( -0.775 -1.423 0.000) 1.620 21.085 ( -0.451 -4.037 0.000) 4.062 21.125 ( -5.363 -3.632 0.000) 6.477 21.296 ( -11.724 0.098 0.000) 11.724 21.431 ( -6.843 0.550 0.000) 6.865 21.449 ( 5.984 -1.108 0.000) 6.086 21.530 ( 13.468 -0.702 0.000) 13.486 22.179 ( -15.011 1.090 0.000) 15.050 22.288 ( -21.638 0.235 0.000) 21.639 22.364 ( 17.313 -1.303 0.000) 17.362 22.544 ( -4.094 -1.421 0.000) 4.333 22.935 ( 15.167 0.028 0.000) 15.167 22.953 ( 7.375 -1.678 0.000) 7.564 23.113 ( -9.988 0.479 0.000) 10.000 23.264 ( 7.250 0.421 0.000) 7.262 23.314 ( 3.263 -0.837 0.000) 3.369 23.426 ( 8.829 -3.088 0.000) 9.353 23.486 ( -6.989 0.768 0.000) 7.031 23.777 ( -2.064 0.185 0.000) 2.073 23.862 ( -11.769 -1.369 0.000) 11.848 23.928 ( -4.764 1.161 0.000) 4.903 24.209 ( 0.676 -0.311 0.000) 0.744 24.396 ( 5.050 -3.703 0.000) 6.262 24.415 ( 5.320 0.906 0.000) 5.397 24.518 ( -11.288 0.828 0.000) 11.318 24.629 ( -8.163 0.996 0.000) 8.224 24.668 ( -0.277 -0.208 0.000) 0.346 24.870 ( 5.471 -0.477 0.000) 5.492 25.290 ( 17.736 0.470 0.000) 17.742 25.511 ( -19.995 0.290 0.000) 19.997 25.596 ( 12.795 -3.865 0.000) 13.366 25.808 ( -3.417 0.748 0.000) 3.498 25.884 ( 14.695 -0.327 0.000) 14.699 26.087 ( 7.668 -18.283 0.000) 19.826 26.203 ( -7.092 0.708 0.000) 7.128 26.342 ( 11.342 -6.213 0.000) 12.933 26.711 ( 0.908 -0.106 0.000) 0.914 26.820 ( 49.299 -20.298 0.000) 53.314 26.909 ( 4.802 -1.135 0.000) 4.934 27.264 ( 71.557 -53.714 0.000) 89.474 27.698 ( -22.111 -3.316 0.000) 22.358 27.739 ( -10.483 -0.089 0.000) 10.483 27.908 ( 13.041 -14.500 0.000) 19.502 28.398 ( 5.685 -0.121 0.000) 5.687 28.496 ( -33.618 -7.098 0.000) 34.359 28.646 ( -8.720 -1.477 0.000) 8.845 28.821 ( -5.394 -3.599 0.000) 6.485 28.939 ( 16.143 -2.185 0.000) 16.290 28.971 ( -8.648 -3.436 0.000) 9.306 29.228 ( 5.198 -19.782 0.000) 20.454 29.486 ( 6.036 -1.099 0.000) 6.135 29.535 ( 1.437 -1.656 0.000) 2.193 29.631 ( 11.162 -14.577 0.000) 18.360 30.028 ( -7.045 -2.938 0.000) 7.633 30.137 ( 10.292 0.670 0.000) 10.314 30.318 ( -16.548 -4.324 0.000) 17.104 30.456 ( -1.089 -0.614 0.000) 1.251 30.514 ( 12.112 -1.268 0.000) 12.179 30.819 ( -1.163 -0.026 0.000) 1.164 30.952 ( -5.706 -2.518 0.000) 6.236 30.969 ( -10.463 -0.760 0.000) 10.490 31.163 ( 8.543 -1.659 0.000) 8.702 31.177 ( 6.268 -6.897 0.000) 9.320 31.388 ( 1.087 -4.120 0.000) 4.261 31.560 ( 8.077 -0.008 0.000) 8.077 31.630 ( -6.030 -22.798 0.000) 23.582 31.851 ( -8.669 -1.960 0.000) 8.888 32.012 ( -0.646 -13.857 0.000) 13.872 32.024 ( 0.567 -13.162 0.000) 13.174 32.220 ( 0.087 2.150 0.000) 2.151 32.362 ( -1.411 6.066 0.000) 6.228 32.397 ( 5.493 -5.181 0.000) 7.551 32.649 ( -3.394 -15.809 0.000) 16.169 32.968 ( 0.058 -3.668 0.000) 3.669 33.000 ( -1.020 -10.973 0.000) 11.020 33.110 ( -0.186 5.695 0.000) 5.698 33.263 ( -0.679 0.642 0.000) 0.934 33.788 ( 3.499 1.084 0.000) 3.663 33.843 ( 1.748 4.706 0.000) 5.020 34.017 ( 15.672 22.452 0.000) 27.381 34.420 ( -8.514 8.951 0.000) 12.354 34.912 ( 17.494 26.142 0.000) 31.456 37.284 (-110.211 74.213 0.000) 132.869 ======================= Grid point 7 (6/54) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -1.807 9.523 0.000) 9.693 1.436 ( 1.807 9.523 0.000) 9.693 1.683 ( -6.737 8.405 0.000) 10.772 1.683 ( 6.737 8.405 0.000) 10.772 2.547 ( -0.340 2.683 0.000) 2.705 2.547 ( 0.340 2.683 0.000) 2.705 2.675 ( -5.074 5.167 0.000) 7.241 2.675 ( 5.074 5.167 0.000) 7.241 2.811 ( -15.562 0.676 0.000) 15.577 2.811 ( 15.562 0.676 0.000) 15.577 2.932 ( -3.239 3.615 0.000) 4.853 2.932 ( 3.239 3.615 0.000) 4.853 3.034 ( -12.528 0.607 0.000) 12.543 3.034 ( 12.528 0.607 0.000) 12.543 3.226 ( -3.718 1.160 0.000) 3.895 3.226 ( 3.718 1.160 0.000) 3.895 3.276 ( -6.915 5.885 0.000) 9.080 3.276 ( 6.915 5.885 0.000) 9.080 3.339 ( -3.935 -0.671 0.000) 3.992 3.339 ( 3.935 -0.671 0.000) 3.992 3.586 ( -3.449 1.849 0.000) 3.913 3.586 ( 3.449 1.849 0.000) 3.913 3.773 ( -1.730 -6.032 0.000) 6.276 3.773 ( 1.730 -6.032 0.000) 6.276 4.119 ( -0.015 -3.214 0.000) 3.214 4.119 ( 0.015 -3.214 0.000) 3.214 4.230 ( -0.280 0.972 0.000) 1.011 4.230 ( 0.280 0.972 0.000) 1.011 4.574 ( -2.677 -4.213 0.000) 4.992 4.574 ( 2.677 -4.213 0.000) 4.992 4.790 ( -0.080 -2.666 0.000) 2.667 4.790 ( 0.080 -2.666 0.000) 2.667 5.399 ( -8.282 0.343 0.000) 8.289 5.399 ( 8.282 0.343 0.000) 8.289 5.648 ( -12.334 -1.110 0.000) 12.384 5.648 ( 12.334 -1.110 0.000) 12.384 6.297 ( -2.967 0.889 0.000) 3.098 6.297 ( 2.967 0.889 0.000) 3.098 6.514 ( -8.897 -4.879 0.000) 10.147 6.514 ( 8.897 -4.879 0.000) 10.147 6.624 ( -8.466 -0.388 0.000) 8.475 6.624 ( 8.466 -0.388 0.000) 8.475 7.074 ( -12.414 3.231 0.000) 12.828 7.074 ( 12.414 3.231 0.000) 12.828 7.429 ( -4.058 -0.831 0.000) 4.143 7.429 ( 4.058 -0.831 0.000) 4.143 7.461 ( -0.000 -6.797 0.000) 6.797 7.461 ( 0.000 -6.797 0.000) 6.797 7.666 ( -0.150 -3.199 0.000) 3.202 7.666 ( 0.150 -3.199 0.000) 3.202 7.963 ( -2.308 14.248 0.000) 14.434 7.963 ( 2.308 14.248 0.000) 14.434 8.054 ( -0.826 2.383 0.000) 2.522 8.054 ( 0.826 2.383 0.000) 2.522 8.313 ( -0.576 1.294 0.000) 1.416 8.313 ( 0.576 1.294 0.000) 1.416 8.689 ( -1.559 -0.201 0.000) 1.572 8.689 ( 1.559 -0.201 0.000) 1.572 8.798 ( -0.000 -2.775 0.000) 2.775 8.798 ( 0.000 -2.775 0.000) 2.775 9.041 ( -2.633 0.480 0.000) 2.677 9.041 ( 2.633 0.480 0.000) 2.677 9.496 ( -15.031 -0.250 0.000) 15.033 9.496 ( 15.031 -0.250 0.000) 15.033 9.616 ( -2.284 1.094 0.000) 2.533 9.616 ( 2.284 1.094 0.000) 2.533 10.024 ( -3.049 -1.491 0.000) 3.394 10.024 ( 3.049 -1.491 0.000) 3.394 10.118 ( -17.555 -4.840 0.000) 18.210 10.118 ( 17.555 -4.840 0.000) 18.210 10.342 ( -0.375 1.612 0.000) 1.655 10.342 ( 0.375 1.612 0.000) 1.655 10.705 ( -5.860 -1.412 0.000) 6.028 10.705 ( 5.860 -1.412 0.000) 6.028 10.782 ( -12.824 -1.269 0.000) 12.887 10.782 ( 12.824 -1.269 0.000) 12.887 11.271 ( -0.123 -4.592 0.000) 4.594 11.271 ( 0.123 -4.592 0.000) 4.594 11.423 ( -0.037 -4.036 0.000) 4.036 11.423 ( 0.037 -4.036 0.000) 4.036 11.440 ( -0.397 0.339 0.000) 0.522 11.440 ( 0.397 0.339 0.000) 0.522 11.881 ( -14.324 3.052 0.000) 14.645 11.881 ( 14.324 3.052 0.000) 14.645 11.950 ( -1.984 -6.614 0.000) 6.905 11.950 ( 1.984 -6.614 0.000) 6.905 12.033 ( -0.219 -1.351 0.000) 1.369 12.033 ( 0.219 -1.351 0.000) 1.369 12.272 ( -2.844 3.463 0.000) 4.481 12.272 ( 2.844 3.463 0.000) 4.481 12.398 ( -0.324 2.279 0.000) 2.302 12.398 ( 0.324 2.279 0.000) 2.302 12.447 ( -7.655 3.589 0.000) 8.454 12.447 ( 7.655 3.589 0.000) 8.454 12.668 ( -13.355 2.800 0.000) 13.645 12.668 ( 13.355 2.800 0.000) 13.645 12.992 ( -3.117 -0.666 0.000) 3.187 12.992 ( 3.117 -0.666 0.000) 3.187 13.187 ( -2.509 -0.990 0.000) 2.697 13.187 ( 2.509 -0.990 0.000) 2.697 13.261 ( -0.328 -0.869 0.000) 0.928 13.261 ( 0.328 -0.869 0.000) 0.928 13.375 ( -1.457 -3.228 0.000) 3.541 13.375 ( 1.457 -3.228 0.000) 3.541 13.634 ( -0.132 6.512 0.000) 6.513 13.634 ( 0.132 6.512 0.000) 6.513 13.980 ( -8.055 -2.814 0.000) 8.533 13.980 ( 8.055 -2.814 0.000) 8.533 14.226 ( -6.006 -4.977 0.000) 7.800 14.226 ( 6.006 -4.977 0.000) 7.800 14.476 ( -6.442 7.588 0.000) 9.954 14.476 ( 6.442 7.588 0.000) 9.954 14.896 ( -2.333 5.013 0.000) 5.529 14.896 ( 2.333 5.013 0.000) 5.529 15.320 ( -6.586 -2.872 0.000) 7.185 15.320 ( 6.586 -2.872 0.000) 7.185 15.466 ( -8.483 -0.549 0.000) 8.501 15.466 ( 8.483 -0.549 0.000) 8.501 15.679 ( -13.211 -0.922 0.000) 13.243 15.679 ( 13.211 -0.922 0.000) 13.243 15.930 ( -0.429 -0.547 0.000) 0.695 15.930 ( 0.429 -0.547 0.000) 0.695 16.098 ( -6.990 3.529 0.000) 7.830 16.098 ( 6.990 3.529 0.000) 7.830 17.080 ( -2.898 -1.770 0.000) 3.396 17.080 ( 2.898 -1.770 0.000) 3.396 17.372 ( -10.014 0.928 0.000) 10.057 17.372 ( 10.014 0.928 0.000) 10.057 17.491 ( -15.276 3.413 0.000) 15.652 17.491 ( 15.276 3.413 0.000) 15.652 17.723 ( -0.000 0.080 0.000) 0.080 17.723 ( 0.000 0.080 0.000) 0.080 17.904 ( -1.985 1.395 0.000) 2.426 17.904 ( 1.985 1.395 0.000) 2.426 18.268 ( -2.185 -1.657 0.000) 2.742 18.268 ( 2.185 -1.657 0.000) 2.742 18.423 ( -6.089 2.465 0.000) 6.569 18.423 ( 6.089 2.465 0.000) 6.569 18.704 ( -1.059 -5.532 0.000) 5.632 18.704 ( 1.059 -5.532 0.000) 5.632 18.811 ( -0.037 0.096 0.000) 0.103 18.811 ( 0.037 0.096 0.000) 0.103 18.821 ( -0.342 -0.100 0.000) 0.357 18.821 ( 0.342 -0.100 0.000) 0.357 19.233 ( -4.765 -1.059 0.000) 4.881 19.233 ( 4.765 -1.059 0.000) 4.881 19.514 ( -1.694 -0.950 0.000) 1.942 19.514 ( 1.694 -0.950 0.000) 1.942 19.865 ( -6.946 0.690 0.000) 6.980 19.865 ( 6.946 0.690 0.000) 6.980 20.288 ( -4.414 1.599 0.000) 4.695 20.288 ( 4.414 1.599 0.000) 4.695 20.393 ( -0.141 0.285 0.000) 0.318 20.393 ( 0.141 0.285 0.000) 0.318 20.751 ( -10.308 -0.460 0.000) 10.318 20.751 ( 10.308 -0.460 0.000) 10.318 21.073 ( -0.071 -4.651 0.000) 4.652 21.073 ( 0.071 -4.651 0.000) 4.652 21.115 ( -4.059 -0.268 0.000) 4.068 21.115 ( 4.059 -0.268 0.000) 4.068 21.207 ( -12.428 0.961 0.000) 12.465 21.207 ( 12.428 0.961 0.000) 12.465 21.588 ( -5.684 -1.573 0.000) 5.898 21.588 ( 5.684 -1.573 0.000) 5.898 22.007 ( -0.306 1.268 0.000) 1.304 22.007 ( 0.306 1.268 0.000) 1.304 22.599 ( -0.405 -1.097 0.000) 1.169 22.599 ( 0.405 -1.097 0.000) 1.169 22.952 ( -0.001 -0.750 0.000) 0.750 22.952 ( 0.001 -0.750 0.000) 0.750 23.245 ( -12.023 0.710 0.000) 12.044 23.245 ( 12.023 0.710 0.000) 12.044 23.367 ( -1.779 -0.234 0.000) 1.795 23.367 ( 1.779 -0.234 0.000) 1.795 23.613 ( -9.472 -2.684 0.000) 9.845 23.613 ( 9.472 -2.684 0.000) 9.845 23.832 ( -3.744 0.812 0.000) 3.831 23.832 ( 3.744 0.812 0.000) 3.831 24.294 ( -8.478 -0.523 0.000) 8.494 24.294 ( 8.478 -0.523 0.000) 8.494 24.504 ( -0.091 -0.522 0.000) 0.530 24.504 ( 0.091 -0.522 0.000) 0.530 24.527 ( -0.115 0.559 0.000) 0.571 24.527 ( 0.115 0.559 0.000) 0.571 25.148 ( -16.841 0.389 0.000) 16.845 25.148 ( 16.841 0.389 0.000) 16.845 25.638 ( -13.135 0.475 0.000) 13.143 25.638 ( 13.135 0.475 0.000) 13.143 25.888 ( -14.048 -3.877 0.000) 14.573 25.888 ( 14.048 -3.877 0.000) 14.573 26.061 ( -5.445 0.173 0.000) 5.448 26.061 ( 5.445 0.173 0.000) 5.448 26.670 ( -8.747 -2.009 0.000) 8.975 26.670 ( 8.747 -2.009 0.000) 8.975 27.086 ( -23.610 -3.611 0.000) 23.885 27.086 ( 23.610 -3.611 0.000) 23.885 27.694 ( -18.507 -5.121 0.000) 19.202 27.694 ( 18.507 -5.121 0.000) 19.202 27.748 ( -2.580 -1.377 0.000) 2.925 27.748 ( 2.580 -1.377 0.000) 2.925 28.492 ( -7.199 -6.853 0.000) 9.939 28.492 ( 7.199 -6.853 0.000) 9.939 28.718 ( -7.701 -26.070 0.000) 27.183 28.718 ( 7.701 -26.070 0.000) 27.183 28.955 ( -15.266 -34.058 0.000) 37.323 28.955 ( 15.266 -34.058 0.000) 37.323 29.298 ( -5.413 -5.098 0.000) 7.436 29.298 ( 5.413 -5.098 0.000) 7.436 29.797 ( -10.163 -3.639 0.000) 10.795 29.797 ( 10.163 -3.639 0.000) 10.795 29.953 ( -16.137 -4.954 0.000) 16.880 29.953 ( 16.137 -4.954 0.000) 16.880 30.359 ( -8.852 -0.691 0.000) 8.879 30.359 ( 8.852 -0.691 0.000) 8.879 30.769 ( -10.128 -1.400 0.000) 10.225 30.769 ( 10.128 -1.400 0.000) 10.225 30.827 ( -1.231 0.118 0.000) 1.237 30.827 ( 1.231 0.118 0.000) 1.237 31.294 ( -0.452 -5.466 0.000) 5.485 31.294 ( 0.452 -5.466 0.000) 5.485 31.444 ( -9.200 -12.258 0.000) 15.326 31.444 ( 9.200 -12.258 0.000) 15.326 31.702 ( -1.940 -0.146 0.000) 1.946 31.702 ( 1.940 -0.146 0.000) 1.946 32.012 ( -0.132 -16.324 0.000) 16.324 32.012 ( 0.132 -16.324 0.000) 16.324 32.283 ( -1.275 4.774 0.000) 4.942 32.283 ( 1.275 4.774 0.000) 4.942 32.533 ( -4.435 -12.428 0.000) 13.195 32.533 ( 4.435 -12.428 0.000) 13.195 32.971 ( -0.081 -8.791 0.000) 8.791 32.971 ( 0.081 -8.791 0.000) 8.791 33.203 ( -1.028 -0.122 0.000) 1.035 33.203 ( 1.028 -0.122 0.000) 1.035 33.852 ( -0.096 5.963 0.000) 5.964 33.852 ( 0.096 5.963 0.000) 5.964 34.239 ( -1.306 13.006 0.000) 13.072 34.239 ( 1.306 13.006 0.000) 13.072 35.639 ( -52.525 62.603 0.000) 81.719 35.639 ( 52.525 62.603 0.000) 81.719 ======================= Grid point 10 (7/54) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.155 ( 0.000 26.357 0.000) 26.357 1.186 ( 0.000 26.686 0.000) 26.686 1.611 ( 0.000 38.822 0.000) 38.822 2.203 ( 0.000 13.841 0.000) 13.841 2.240 ( 0.000 6.259 0.000) 6.259 2.487 ( 0.000 -5.851 0.000) 5.851 2.619 ( 0.000 4.063 0.000) 4.063 2.751 ( 0.000 5.192 0.000) 5.192 2.875 ( 0.000 9.212 0.000) 9.212 2.884 ( 0.000 4.010 0.000) 4.010 2.886 ( 0.000 2.435 0.000) 2.435 3.008 ( 0.000 2.198 0.000) 2.198 3.055 ( 0.000 8.192 0.000) 8.192 3.096 ( 0.000 3.977 0.000) 3.977 3.287 ( 0.000 3.308 0.000) 3.308 3.308 ( 0.000 -6.050 0.000) 6.050 3.344 ( 0.000 -0.512 0.000) 0.512 3.354 ( 0.000 -4.428 0.000) 4.428 3.478 ( 0.000 0.419 0.000) 0.419 3.496 ( 0.000 -0.404 0.000) 0.404 3.507 ( 0.000 -1.931 0.000) 1.931 3.589 ( 0.000 -5.779 0.000) 5.779 3.833 ( 0.000 -3.513 0.000) 3.513 3.930 ( 0.000 1.683 0.000) 1.683 3.931 ( 0.000 -2.747 0.000) 2.747 4.293 ( 0.000 4.098 0.000) 4.098 4.314 ( 0.000 -1.995 0.000) 1.995 4.341 ( 0.000 -5.542 0.000) 5.542 4.469 ( 0.000 -9.618 0.000) 9.618 4.706 ( 0.000 -6.983 0.000) 6.983 4.830 ( 0.000 1.243 0.000) 1.243 4.870 ( 0.000 -6.705 0.000) 6.705 5.006 ( 0.000 0.287 0.000) 0.287 5.107 ( 0.000 1.900 0.000) 1.900 5.716 ( 0.000 -0.695 0.000) 0.695 5.875 ( 0.000 -2.573 0.000) 2.573 5.931 ( 0.000 -3.725 0.000) 3.725 6.207 ( 0.000 -0.134 0.000) 0.134 6.215 ( 0.000 0.158 0.000) 0.158 6.486 ( 0.000 1.026 0.000) 1.026 6.572 ( 0.000 -2.718 0.000) 2.718 6.675 ( 0.000 1.126 0.000) 1.126 6.679 ( 0.000 -11.321 0.000) 11.321 6.968 ( 0.000 -10.968 0.000) 10.968 7.158 ( 0.000 -1.504 0.000) 1.504 7.269 ( 0.000 -3.171 0.000) 3.171 7.340 ( 0.000 1.984 0.000) 1.984 7.697 ( 0.000 0.234 0.000) 0.234 7.754 ( 0.000 2.703 0.000) 2.703 7.760 ( 0.000 -3.416 0.000) 3.416 7.913 ( 0.000 2.047 0.000) 2.047 7.942 ( 0.000 0.236 0.000) 0.236 8.205 ( 0.000 7.406 0.000) 7.406 8.240 ( 0.000 0.407 0.000) 0.407 8.389 ( 0.000 8.601 0.000) 8.601 8.404 ( 0.000 -3.176 0.000) 3.176 8.781 ( 0.000 2.864 0.000) 2.864 8.782 ( 0.000 3.061 0.000) 3.061 8.803 ( 0.000 0.214 0.000) 0.214 9.002 ( 0.000 -0.676 0.000) 0.676 9.146 ( 0.000 0.608 0.000) 0.608 9.346 ( 0.000 -1.515 0.000) 1.515 9.377 ( 0.000 -16.656 0.000) 16.656 9.724 ( 0.000 -4.010 0.000) 4.010 9.792 ( 0.000 -1.755 0.000) 1.755 9.860 ( 0.000 2.361 0.000) 2.361 9.921 ( 0.000 -0.663 0.000) 0.663 9.951 ( 0.000 -1.428 0.000) 1.428 10.102 ( 0.000 -0.343 0.000) 0.343 10.136 ( 0.000 0.020 0.000) 0.020 10.427 ( 0.000 -1.904 0.000) 1.904 10.444 ( 0.000 0.156 0.000) 0.156 10.634 ( 0.000 -9.593 0.000) 9.593 10.709 ( 0.000 -2.508 0.000) 2.508 10.883 ( 0.000 -3.954 0.000) 3.954 11.150 ( 0.000 -0.881 0.000) 0.881 11.154 ( 0.000 -6.096 0.000) 6.096 11.206 ( 0.000 -7.293 0.000) 7.293 11.230 ( 0.000 -4.331 0.000) 4.331 11.298 ( 0.000 -0.793 0.000) 0.793 11.330 ( 0.000 3.567 0.000) 3.567 11.336 ( 0.000 -1.443 0.000) 1.443 11.393 ( 0.000 -5.136 0.000) 5.136 11.605 ( 0.000 -5.399 0.000) 5.399 11.641 ( 0.000 -0.314 0.000) 0.314 12.005 ( 0.000 -2.350 0.000) 2.350 12.133 ( 0.000 0.693 0.000) 0.693 12.165 ( 0.000 -4.613 0.000) 4.613 12.233 ( 0.000 -0.088 0.000) 0.088 12.309 ( 0.000 4.142 0.000) 4.142 12.312 ( 0.000 2.099 0.000) 2.099 12.380 ( 0.000 -1.027 0.000) 1.027 12.562 ( 0.000 -9.561 0.000) 9.561 12.674 ( 0.000 2.441 0.000) 2.441 12.709 ( 0.000 1.906 0.000) 1.906 12.745 ( 0.000 7.015 0.000) 7.015 12.874 ( 0.000 -3.560 0.000) 3.560 12.900 ( 0.000 0.865 0.000) 0.865 13.069 ( 0.000 1.536 0.000) 1.536 13.154 ( 0.000 -3.275 0.000) 3.275 13.252 ( 0.000 -5.917 0.000) 5.917 13.353 ( 0.000 -1.122 0.000) 1.122 13.478 ( 0.000 6.336 0.000) 6.336 13.548 ( 0.000 -4.264 0.000) 4.264 13.603 ( 0.000 -2.219 0.000) 2.219 13.605 ( 0.000 3.534 0.000) 3.534 13.717 ( 0.000 -3.344 0.000) 3.344 13.961 ( 0.000 -5.750 0.000) 5.750 14.028 ( 0.000 -0.032 0.000) 0.032 14.060 ( 0.000 6.613 0.000) 6.613 14.270 ( 0.000 1.023 0.000) 1.023 14.668 ( 0.000 3.243 0.000) 3.243 14.709 ( 0.000 -3.192 0.000) 3.192 14.870 ( 0.000 2.582 0.000) 2.582 15.456 ( 0.000 0.983 0.000) 0.983 15.475 ( 0.000 10.495 0.000) 10.495 15.566 ( 0.000 -4.493 0.000) 4.493 15.710 ( 0.000 -3.756 0.000) 3.756 15.749 ( 0.000 6.489 0.000) 6.489 15.825 ( 0.000 3.945 0.000) 3.945 15.861 ( 0.000 -2.409 0.000) 2.409 16.090 ( 0.000 -1.422 0.000) 1.422 16.569 ( 0.000 -1.070 0.000) 1.070 16.582 ( 0.000 2.206 0.000) 2.206 16.711 ( 0.000 -2.259 0.000) 2.259 16.979 ( 0.000 0.771 0.000) 0.771 17.170 ( 0.000 9.079 0.000) 9.079 17.191 ( 0.000 2.154 0.000) 2.154 17.405 ( 0.000 0.998 0.000) 0.998 17.474 ( 0.000 4.223 0.000) 4.223 17.572 ( 0.000 0.704 0.000) 0.704 17.808 ( 0.000 -1.455 0.000) 1.455 17.969 ( 0.000 -1.916 0.000) 1.916 18.128 ( 0.000 -0.058 0.000) 0.058 18.141 ( 0.000 -0.751 0.000) 0.751 18.246 ( 0.000 -0.784 0.000) 0.784 18.362 ( 0.000 2.575 0.000) 2.575 18.438 ( 0.000 -0.615 0.000) 0.615 18.625 ( 0.000 4.810 0.000) 4.810 18.631 ( 0.000 0.144 0.000) 0.144 18.825 ( 0.000 -0.293 0.000) 0.293 18.872 ( 0.000 -1.613 0.000) 1.613 18.878 ( 0.000 -0.323 0.000) 0.323 18.919 ( 0.000 -0.319 0.000) 0.319 19.131 ( 0.000 1.177 0.000) 1.177 19.283 ( 0.000 -1.541 0.000) 1.541 19.392 ( 0.000 -0.460 0.000) 0.460 19.457 ( 0.000 -1.251 0.000) 1.251 19.479 ( 0.000 -0.928 0.000) 0.928 19.679 ( 0.000 3.659 0.000) 3.659 19.868 ( 0.000 0.842 0.000) 0.842 20.064 ( 0.000 -0.192 0.000) 0.192 20.462 ( 0.000 0.234 0.000) 0.234 20.678 ( 0.000 3.301 0.000) 3.301 20.930 ( 0.000 -0.558 0.000) 0.558 20.960 ( 0.000 1.087 0.000) 1.087 20.995 ( 0.000 -5.197 0.000) 5.197 21.022 ( 0.000 -0.782 0.000) 0.782 21.030 ( 0.000 1.285 0.000) 1.285 21.200 ( 0.000 -1.357 0.000) 1.357 21.223 ( 0.000 0.520 0.000) 0.520 21.365 ( 0.000 -1.355 0.000) 1.355 21.482 ( 0.000 2.227 0.000) 2.227 21.489 ( 0.000 -0.885 0.000) 0.885 22.108 ( 0.000 -0.780 0.000) 0.780 22.438 ( 0.000 1.283 0.000) 1.283 22.616 ( 0.000 -7.641 0.000) 7.641 22.646 ( 0.000 0.524 0.000) 0.524 22.709 ( 0.000 1.398 0.000) 1.398 22.763 ( 0.000 2.187 0.000) 2.187 23.085 ( 0.000 -0.056 0.000) 0.056 23.244 ( 0.000 -1.844 0.000) 1.844 23.252 ( 0.000 -3.200 0.000) 3.200 23.290 ( 0.000 2.551 0.000) 2.551 23.585 ( 0.000 1.499 0.000) 1.499 23.811 ( 0.000 1.550 0.000) 1.550 24.021 ( 0.000 -1.700 0.000) 1.700 24.057 ( 0.000 4.258 0.000) 4.258 24.211 ( 0.000 0.214 0.000) 0.214 24.218 ( 0.000 -0.082 0.000) 0.082 24.359 ( 0.000 1.142 0.000) 1.142 24.539 ( 0.000 0.341 0.000) 0.341 24.734 ( 0.000 0.385 0.000) 0.385 24.739 ( 0.000 4.471 0.000) 4.471 24.927 ( 0.000 -0.088 0.000) 0.088 25.003 ( 0.000 -0.061 0.000) 0.061 25.123 ( 0.000 0.612 0.000) 0.612 25.326 ( 0.000 -6.166 0.000) 6.166 25.545 ( 0.000 -5.938 0.000) 5.938 25.851 ( 0.000 0.725 0.000) 0.725 25.860 ( 0.000 0.972 0.000) 0.972 26.203 ( 0.000 -6.370 0.000) 6.370 26.310 ( 0.000 1.672 0.000) 1.672 26.345 ( 0.000 -0.919 0.000) 0.919 26.501 ( 0.000 -0.917 0.000) 0.917 26.698 ( 0.000 0.034 0.000) 0.034 26.894 ( 0.000 0.086 0.000) 0.086 27.716 ( 0.000 -0.034 0.000) 0.034 27.819 ( 0.000 -1.338 0.000) 1.338 28.126 ( 0.000 -3.172 0.000) 3.172 28.347 ( 0.000 0.339 0.000) 0.339 28.494 ( 0.000 -17.924 0.000) 17.924 28.510 ( 0.000 -5.530 0.000) 5.530 28.719 ( 0.000 -3.503 0.000) 3.503 28.942 ( 0.000 -6.009 0.000) 6.009 29.036 ( 0.000 -9.891 0.000) 9.891 29.108 ( 0.000 -4.891 0.000) 4.891 29.199 ( 0.000 -6.464 0.000) 6.464 29.200 ( 0.000 -0.710 0.000) 0.710 29.593 ( 0.000 -0.740 0.000) 0.740 29.926 ( 0.000 -8.811 0.000) 8.811 30.054 ( 0.000 0.766 0.000) 0.766 30.352 ( 0.000 -1.922 0.000) 1.922 30.412 ( 0.000 -6.248 0.000) 6.248 30.433 ( 0.000 -0.922 0.000) 0.922 30.836 ( 0.000 -0.151 0.000) 0.151 30.967 ( 0.000 -7.032 0.000) 7.032 30.978 ( 0.000 -0.053 0.000) 0.053 31.003 ( 0.000 -3.794 0.000) 3.794 31.090 ( 0.000 -2.688 0.000) 2.688 31.210 ( 0.000 -18.633 0.000) 18.633 31.314 ( 0.000 -4.376 0.000) 4.376 31.464 ( 0.000 1.992 0.000) 1.992 31.696 ( 0.000 -11.472 0.000) 11.472 31.856 ( 0.000 -8.084 0.000) 8.084 31.968 ( 0.000 -2.951 0.000) 2.951 32.136 ( 0.000 -5.128 0.000) 5.128 32.332 ( 0.000 -1.490 0.000) 1.490 32.378 ( 0.000 -12.730 0.000) 12.730 32.482 ( 0.000 3.858 0.000) 3.858 32.756 ( 0.000 -12.920 0.000) 12.920 32.784 ( 0.000 -6.423 0.000) 6.423 33.281 ( 0.000 0.388 0.000) 0.388 33.555 ( 0.000 10.469 0.000) 10.469 33.744 ( 0.000 0.691 0.000) 0.691 33.845 ( 0.000 1.872 0.000) 1.872 34.016 ( 0.000 5.546 0.000) 5.546 34.614 ( 0.000 0.761 0.000) 0.761 35.082 ( 0.000 12.059 0.000) 12.059 38.459 ( 0.000 -34.565 0.000) 34.565 ======================= Grid point 11 (8/54) ======================= q-point: ( 0.25 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 17.096 20.690 0.000) 26.839 1.542 ( 17.399 24.695 0.000) 30.209 1.809 ( 16.763 14.750 0.000) 22.328 2.137 ( -10.230 5.734 0.000) 11.727 2.275 ( 16.109 19.523 0.000) 25.311 2.505 ( 1.556 -3.031 0.000) 3.407 2.653 ( 6.620 9.535 0.000) 11.608 2.736 ( -7.573 3.878 0.000) 8.508 2.824 ( 6.221 5.842 0.000) 8.534 2.907 ( 2.538 3.693 0.000) 4.480 2.956 ( 0.467 5.393 0.000) 5.414 3.059 ( -4.084 4.639 0.000) 6.181 3.086 ( 8.314 1.221 0.000) 8.403 3.174 ( 8.199 3.227 0.000) 8.811 3.203 ( -9.471 3.534 0.000) 10.109 3.250 ( -5.002 -6.011 0.000) 7.820 3.277 ( -1.579 -0.142 0.000) 1.586 3.394 ( 2.551 -3.321 0.000) 4.187 3.428 ( -5.409 0.391 0.000) 5.423 3.468 ( -3.456 -0.192 0.000) 3.462 3.512 ( 0.053 -0.448 0.000) 0.451 3.618 ( 3.206 -1.006 0.000) 3.361 3.822 ( -3.807 0.797 0.000) 3.889 3.930 ( -0.871 -0.126 0.000) 0.880 3.984 ( 4.279 -4.003 0.000) 5.860 4.140 ( -17.649 0.101 0.000) 17.649 4.254 ( -2.241 -2.304 0.000) 3.214 4.337 ( -12.119 3.143 0.000) 12.520 4.420 ( 3.538 -4.972 0.000) 6.103 4.479 ( -1.677 -8.613 0.000) 8.775 4.772 ( -5.299 -5.208 0.000) 7.430 4.797 ( -5.670 -5.425 0.000) 7.847 5.228 ( 8.711 0.946 0.000) 8.762 5.307 ( 17.703 -1.603 0.000) 17.775 5.596 ( -10.115 -1.141 0.000) 10.179 5.797 ( -7.239 -3.221 0.000) 7.923 6.133 ( 12.703 -1.603 0.000) 12.803 6.261 ( 6.400 -0.697 0.000) 6.438 6.357 ( -3.221 -2.281 0.000) 3.946 6.409 ( 15.301 -3.177 0.000) 15.627 6.537 ( -3.066 -3.417 0.000) 4.591 6.798 ( -8.634 -6.176 0.000) 10.616 6.826 ( 14.022 0.559 0.000) 14.033 7.033 ( 22.538 -5.113 0.000) 23.111 7.069 ( -10.039 -3.412 0.000) 10.603 7.217 ( 5.183 -1.397 0.000) 5.368 7.509 ( 6.424 -5.557 0.000) 8.494 7.600 ( -7.643 0.538 0.000) 7.662 7.676 ( -19.331 -0.486 0.000) 19.337 7.758 ( -1.496 1.268 0.000) 1.961 7.787 ( 5.257 0.391 0.000) 5.272 8.007 ( 8.060 1.152 0.000) 8.142 8.220 ( 0.407 8.908 0.000) 8.917 8.272 ( 1.611 6.479 0.000) 6.676 8.365 ( -3.610 -2.567 0.000) 4.430 8.507 ( 7.732 0.507 0.000) 7.749 8.599 ( -12.772 1.966 0.000) 12.922 8.755 ( -2.785 1.687 0.000) 3.256 8.839 ( -13.805 -0.270 0.000) 13.808 8.954 ( -13.181 -0.815 0.000) 13.207 9.081 ( 21.094 0.196 0.000) 21.095 9.466 ( -16.656 -3.640 0.000) 17.049 9.484 ( -43.348 -6.258 0.000) 43.798 9.493 ( 14.062 -5.934 0.000) 15.263 9.672 ( -9.271 1.131 0.000) 9.339 9.706 ( 17.414 -0.808 0.000) 17.433 9.748 ( -8.246 1.768 0.000) 8.433 9.771 ( -7.184 -1.383 0.000) 7.316 10.191 ( 6.090 -1.943 0.000) 6.393 10.207 ( 9.232 1.162 0.000) 9.305 10.308 ( -4.527 -6.966 0.000) 8.308 10.311 ( -4.319 -0.241 0.000) 4.326 10.545 ( 0.608 -2.505 0.000) 2.578 10.752 ( -9.406 0.372 0.000) 9.413 10.873 ( -4.962 -2.941 0.000) 5.768 10.994 ( -16.812 -0.187 0.000) 16.813 11.164 ( -0.231 -3.812 0.000) 3.819 11.167 ( 0.699 -6.021 0.000) 6.062 11.228 ( 5.294 -5.836 0.000) 7.880 11.337 ( -1.909 -3.491 0.000) 3.979 11.399 ( 5.004 -3.274 0.000) 5.980 11.405 ( 5.974 -0.518 0.000) 5.997 11.620 ( 17.530 -4.990 0.000) 18.227 11.681 ( 7.384 0.716 0.000) 7.419 11.767 ( 7.449 -2.520 0.000) 7.864 11.993 ( -0.172 -2.936 0.000) 2.941 12.065 ( -5.863 -1.629 0.000) 6.085 12.150 ( -4.458 -0.491 0.000) 4.485 12.316 ( -2.454 0.978 0.000) 2.642 12.327 ( 5.849 3.675 0.000) 6.907 12.421 ( 12.453 4.379 0.000) 13.200 12.459 ( 0.954 2.125 0.000) 2.329 12.490 ( -2.102 -0.656 0.000) 2.202 12.519 ( -2.571 -2.207 0.000) 3.388 12.688 ( -12.883 0.678 0.000) 12.901 12.726 ( 2.928 1.400 0.000) 3.245 12.980 ( 11.875 -2.270 0.000) 12.090 12.987 ( -2.493 1.948 0.000) 3.164 13.071 ( -2.628 -1.906 0.000) 3.246 13.137 ( 6.013 3.342 0.000) 6.880 13.163 ( -5.673 -5.505 0.000) 7.905 13.332 ( -3.441 0.138 0.000) 3.444 13.455 ( -1.954 -4.880 0.000) 5.257 13.456 ( -5.810 2.307 0.000) 6.252 13.634 ( 9.288 1.645 0.000) 9.433 13.721 ( 2.236 1.969 0.000) 2.979 13.768 ( 2.780 -1.528 0.000) 3.172 13.920 ( 5.905 -5.044 0.000) 7.766 14.070 ( 4.067 2.849 0.000) 4.966 14.192 ( -6.967 -0.682 0.000) 7.000 14.358 ( 17.541 3.172 0.000) 17.825 14.738 ( 2.692 6.567 0.000) 7.098 14.868 ( 1.737 1.740 0.000) 2.458 14.873 ( 14.526 -3.511 0.000) 14.944 15.337 ( -6.107 -2.095 0.000) 6.457 15.341 ( -11.912 8.031 0.000) 14.366 15.401 ( -10.751 -3.632 0.000) 11.348 15.632 ( -7.386 -4.052 0.000) 8.424 15.703 ( -6.683 5.767 0.000) 8.828 15.842 ( 1.607 1.334 0.000) 2.089 15.909 ( 2.302 0.408 0.000) 2.338 16.059 ( 3.586 0.623 0.000) 3.640 16.214 ( -26.296 -0.875 0.000) 26.311 16.479 ( -25.522 1.553 0.000) 25.569 16.877 ( 18.906 -2.504 0.000) 19.071 16.895 ( 9.240 -0.103 0.000) 9.241 17.284 ( 10.879 8.246 0.000) 13.651 17.290 ( 0.118 1.795 0.000) 1.799 17.485 ( 4.334 0.872 0.000) 4.421 17.649 ( 6.407 0.492 0.000) 6.426 17.725 ( 7.758 -1.040 0.000) 7.828 17.811 ( 0.113 0.393 0.000) 0.409 17.848 ( -3.652 1.569 0.000) 3.974 18.101 ( -17.360 3.801 0.000) 17.771 18.223 ( 9.926 -0.128 0.000) 9.926 18.230 ( -1.317 -0.879 0.000) 1.583 18.314 ( 4.399 -6.696 0.000) 8.012 18.403 ( 2.828 -2.077 0.000) 3.509 18.565 ( -2.278 4.497 0.000) 5.041 18.713 ( 0.375 -0.906 0.000) 0.981 18.813 ( -2.792 -1.488 0.000) 3.164 18.821 ( -0.372 -0.039 0.000) 0.374 18.859 ( -3.085 0.008 0.000) 3.085 18.981 ( -11.217 0.017 0.000) 11.217 19.024 ( 9.095 -0.864 0.000) 9.135 19.295 ( -0.408 -1.450 0.000) 1.507 19.452 ( 1.662 -1.669 0.000) 2.355 19.500 ( 1.596 -1.339 0.000) 2.083 19.626 ( 14.813 1.242 0.000) 14.865 19.805 ( 10.471 1.896 0.000) 10.642 20.056 ( 16.257 1.599 0.000) 16.336 20.188 ( 10.294 0.517 0.000) 10.307 20.442 ( -1.991 0.179 0.000) 2.000 20.573 ( -9.343 2.952 0.000) 9.798 20.713 ( -8.935 -0.231 0.000) 8.938 20.968 ( 3.108 -0.435 0.000) 3.138 20.988 ( -0.892 -1.513 0.000) 1.757 20.993 ( -0.691 -4.591 0.000) 4.643 21.028 ( -11.129 -0.337 0.000) 11.134 21.105 ( 1.597 0.408 0.000) 1.648 21.291 ( -12.489 -0.600 0.000) 12.503 21.418 ( 5.012 -1.879 0.000) 5.352 21.443 ( -3.298 0.437 0.000) 3.327 21.512 ( 8.745 -0.961 0.000) 8.798 22.208 ( -14.663 1.805 0.000) 14.774 22.289 ( -9.372 -0.062 0.000) 9.372 22.353 ( 4.794 0.080 0.000) 4.795 22.499 ( -1.799 -2.884 0.000) 3.399 22.910 ( 6.453 -0.962 0.000) 6.524 22.960 ( 16.735 1.337 0.000) 16.789 23.133 ( -9.211 1.423 0.000) 9.320 23.275 ( 6.087 0.690 0.000) 6.125 23.292 ( 4.068 -1.277 0.000) 4.264 23.357 ( 8.502 -3.501 0.000) 9.195 23.508 ( -7.422 1.442 0.000) 7.560 23.773 ( -8.850 -0.853 0.000) 8.891 23.844 ( -5.807 0.146 0.000) 5.808 23.971 ( -6.041 3.187 0.000) 6.830 24.202 ( 0.306 -0.267 0.000) 0.407 24.331 ( 6.861 -2.391 0.000) 7.265 24.441 ( 5.985 1.705 0.000) 6.224 24.528 ( -14.509 -0.001 0.000) 14.509 24.665 ( -2.499 -0.074 0.000) 2.500 24.668 ( -6.416 2.863 0.000) 7.025 24.858 ( 7.368 -0.574 0.000) 7.390 25.303 ( 17.962 0.769 0.000) 17.979 25.503 ( 13.499 -4.909 0.000) 14.363 25.515 ( -11.664 -0.638 0.000) 11.681 25.630 ( 34.623 -15.557 0.000) 37.957 25.824 ( -3.268 0.788 0.000) 3.362 25.880 ( 16.877 -0.732 0.000) 16.893 26.222 ( -8.000 1.096 0.000) 8.075 26.232 ( 4.700 -6.379 0.000) 7.924 26.421 ( 23.093 -9.419 0.000) 24.940 26.709 ( 0.419 -0.176 0.000) 0.454 26.896 ( 1.350 -0.405 0.000) 1.409 26.993 ( 35.720 -2.663 0.000) 35.819 27.606 ( -30.056 -5.362 0.000) 30.531 27.739 ( -6.018 -0.009 0.000) 6.019 27.821 ( 0.365 -1.702 0.000) 1.740 28.297 ( -20.906 -11.759 0.000) 23.986 28.399 ( 4.933 0.108 0.000) 4.934 28.485 ( -25.461 -21.000 0.000) 33.004 28.722 ( -15.092 -6.858 0.000) 16.578 28.772 ( -2.130 -6.196 0.000) 6.552 28.894 ( -10.573 -4.490 0.000) 11.487 28.936 ( 14.379 -3.637 0.000) 14.832 29.425 ( 15.385 -7.249 0.000) 17.007 29.457 ( 10.011 -1.727 0.000) 10.159 29.510 ( -3.370 -1.148 0.000) 3.560 29.954 ( -2.775 -4.303 0.000) 5.120 30.148 ( 8.929 0.331 0.000) 8.936 30.208 ( -17.123 -6.297 0.000) 18.244 30.436 ( -1.503 -1.319 0.000) 2.000 30.483 ( 13.200 -1.642 0.000) 13.302 30.812 ( -1.360 -0.597 0.000) 1.486 30.903 ( -5.592 -2.403 0.000) 6.086 30.953 ( -7.884 -1.079 0.000) 7.958 31.020 ( 5.420 -7.894 0.000) 9.575 31.146 ( 7.355 -0.639 0.000) 7.383 31.256 ( 3.165 -14.382 0.000) 14.726 31.296 ( -2.872 -4.695 0.000) 5.504 31.556 ( 6.854 -0.817 0.000) 6.902 31.726 ( 2.119 -8.931 0.000) 9.179 31.793 ( -4.109 -9.788 0.000) 10.615 31.865 ( -8.810 -2.493 0.000) 9.156 32.197 ( 4.808 -3.695 0.000) 6.064 32.323 ( -0.210 -3.566 0.000) 3.572 32.362 ( -1.481 -12.556 0.000) 12.643 32.406 ( -4.977 -1.157 0.000) 5.109 32.755 ( 0.391 -11.845 0.000) 11.851 32.906 ( 5.286 -1.865 0.000) 5.605 33.199 ( -15.429 1.955 0.000) 15.552 33.268 ( -1.875 -0.195 0.000) 1.885 33.838 ( 8.341 2.790 0.000) 8.796 33.937 ( 4.238 3.882 0.000) 5.748 34.292 ( 10.981 6.243 0.000) 12.632 34.526 ( -7.954 1.079 0.000) 8.027 35.369 ( 34.060 15.349 0.000) 37.358 37.737 ( -63.202 -9.631 0.000) 63.931 ======================= Grid point 12 (9/54) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -2.346 14.782 0.000) 14.967 1.688 ( 2.346 14.782 0.000) 14.967 1.913 ( -2.663 13.830 0.000) 14.084 1.913 ( 2.663 13.830 0.000) 14.084 2.585 ( -2.261 0.744 0.000) 2.380 2.585 ( 2.261 0.744 0.000) 2.380 2.815 ( -0.788 7.538 0.000) 7.579 2.815 ( 0.788 7.538 0.000) 7.579 2.861 ( -8.483 3.775 0.000) 9.285 2.861 ( 8.483 3.775 0.000) 9.285 2.995 ( -1.962 4.470 0.000) 4.881 2.995 ( 1.962 4.470 0.000) 4.881 3.094 ( -9.823 3.095 0.000) 10.299 3.094 ( 9.823 3.095 0.000) 10.299 3.254 ( -3.402 1.004 0.000) 3.547 3.254 ( 3.402 1.004 0.000) 3.547 3.285 ( -1.627 -0.624 0.000) 1.742 3.285 ( 1.627 -0.624 0.000) 1.742 3.421 ( -0.046 4.903 0.000) 4.903 3.421 ( 0.046 4.903 0.000) 4.903 3.605 ( -11.055 -3.404 0.000) 11.567 3.605 ( 11.055 -3.404 0.000) 11.567 3.710 ( -5.980 5.186 0.000) 7.915 3.710 ( 5.980 5.186 0.000) 7.915 4.038 ( -0.000 -4.621 0.000) 4.621 4.038 ( 0.000 -4.621 0.000) 4.621 4.241 ( -0.444 -0.297 0.000) 0.534 4.241 ( 0.444 -0.297 0.000) 0.534 4.461 ( -0.231 -6.749 0.000) 6.753 4.461 ( 0.231 -6.749 0.000) 6.753 4.718 ( -0.172 -4.092 0.000) 4.095 4.718 ( 0.172 -4.092 0.000) 4.095 5.395 ( -5.110 -0.946 0.000) 5.196 5.395 ( 5.110 -0.946 0.000) 5.196 5.604 ( -10.064 -3.403 0.000) 10.624 5.604 ( 10.064 -3.403 0.000) 10.624 6.318 ( -2.648 0.988 0.000) 2.826 6.318 ( 2.648 0.988 0.000) 2.826 6.418 ( -6.644 -4.342 0.000) 7.937 6.418 ( 6.644 -4.342 0.000) 7.937 6.584 ( -11.362 -3.167 0.000) 11.795 6.584 ( 11.362 -3.167 0.000) 11.795 7.133 ( -11.938 2.377 0.000) 12.172 7.133 ( 11.938 2.377 0.000) 12.172 7.335 ( -0.121 -6.066 0.000) 6.067 7.335 ( 0.121 -6.066 0.000) 6.067 7.414 ( -2.471 -0.706 0.000) 2.569 7.414 ( 2.471 -0.706 0.000) 2.569 7.608 ( -10.495 -2.714 0.000) 10.840 7.608 ( 10.495 -2.714 0.000) 10.840 8.000 ( -6.805 -3.656 0.000) 7.725 8.000 ( 6.805 -3.656 0.000) 7.725 8.235 ( -1.537 6.420 0.000) 6.601 8.235 ( 1.537 6.420 0.000) 6.601 8.368 ( -3.279 4.777 0.000) 5.794 8.368 ( 3.279 4.777 0.000) 5.794 8.644 ( -4.365 -4.357 0.000) 6.167 8.644 ( 4.365 -4.357 0.000) 6.167 8.770 ( -1.542 0.578 0.000) 1.647 8.770 ( 1.542 0.578 0.000) 1.647 9.043 ( -7.426 -0.528 0.000) 7.445 9.043 ( 7.426 -0.528 0.000) 7.445 9.490 ( -13.603 -0.088 0.000) 13.603 9.490 ( 13.603 -0.088 0.000) 13.603 9.639 ( -1.269 1.001 0.000) 1.616 9.639 ( 1.269 1.001 0.000) 1.616 9.947 ( -10.643 -5.525 0.000) 11.992 9.947 ( 10.643 -5.525 0.000) 11.992 10.058 ( -1.162 -1.176 0.000) 1.653 10.058 ( 1.162 -1.176 0.000) 1.653 10.374 ( -0.143 1.406 0.000) 1.413 10.374 ( 0.143 1.406 0.000) 1.413 10.662 ( -5.678 -2.675 0.000) 6.277 10.662 ( 5.678 -2.675 0.000) 6.277 10.744 ( -11.727 -2.511 0.000) 11.992 10.744 ( 11.727 -2.511 0.000) 11.992 11.165 ( -0.001 -5.641 0.000) 5.641 11.165 ( 0.001 -5.641 0.000) 5.641 11.314 ( -0.715 -6.171 0.000) 6.212 11.314 ( 0.715 -6.171 0.000) 6.212 11.448 ( -0.092 0.266 0.000) 0.282 11.448 ( 0.092 0.266 0.000) 0.282 11.803 ( -0.003 -5.076 0.000) 5.076 11.803 ( 0.003 -5.076 0.000) 5.076 11.948 ( -10.048 0.271 0.000) 10.052 11.948 ( 10.048 0.271 0.000) 10.052 12.012 ( -0.135 -0.251 0.000) 0.285 12.012 ( 0.135 -0.251 0.000) 0.285 12.298 ( -6.001 0.167 0.000) 6.003 12.298 ( 6.001 0.167 0.000) 6.003 12.449 ( -3.914 2.402 0.000) 4.592 12.449 ( 3.914 2.402 0.000) 4.592 12.527 ( -0.000 3.379 0.000) 3.379 12.527 ( 0.000 3.379 0.000) 3.379 12.722 ( -7.950 2.056 0.000) 8.212 12.722 ( 7.950 2.056 0.000) 8.212 12.977 ( -1.246 -0.561 0.000) 1.366 12.977 ( 1.246 -0.561 0.000) 1.366 13.116 ( -0.124 -5.101 0.000) 5.103 13.116 ( 0.124 -5.101 0.000) 5.103 13.272 ( -7.636 1.845 0.000) 7.856 13.272 ( 7.636 1.845 0.000) 7.856 13.365 ( -1.899 1.373 0.000) 2.344 13.365 ( 1.899 1.373 0.000) 2.344 13.732 ( -0.002 2.638 0.000) 2.638 13.732 ( 0.002 2.638 0.000) 2.638 13.938 ( -7.011 -1.214 0.000) 7.115 13.938 ( 7.011 -1.214 0.000) 7.115 14.130 ( -6.968 -3.939 0.000) 8.004 14.130 ( 6.968 -3.939 0.000) 8.004 14.617 ( -10.083 6.251 0.000) 11.863 14.617 ( 10.083 6.251 0.000) 11.863 15.008 ( -2.852 5.327 0.000) 6.043 15.008 ( 2.852 5.327 0.000) 6.043 15.257 ( -4.101 -3.099 0.000) 5.140 15.257 ( 4.101 -3.099 0.000) 5.140 15.446 ( -12.820 -1.379 0.000) 12.894 15.446 ( 12.820 -1.379 0.000) 12.894 15.640 ( -9.263 -2.784 0.000) 9.672 15.640 ( 9.263 -2.784 0.000) 9.672 15.940 ( -0.182 1.191 0.000) 1.204 15.940 ( 0.182 1.191 0.000) 1.204 16.166 ( -7.374 3.048 0.000) 7.980 16.166 ( 7.374 3.048 0.000) 7.980 17.040 ( -1.960 -2.010 0.000) 2.807 17.040 ( 1.960 -2.010 0.000) 2.807 17.389 ( -6.977 0.716 0.000) 7.014 17.389 ( 6.977 0.716 0.000) 7.014 17.582 ( -8.700 5.174 0.000) 10.122 17.582 ( 8.700 5.174 0.000) 10.122 17.723 ( -0.233 -0.101 0.000) 0.254 17.723 ( 0.233 -0.101 0.000) 0.254 17.942 ( -2.936 2.268 0.000) 3.710 17.942 ( 2.936 2.268 0.000) 3.710 18.231 ( -0.988 -1.916 0.000) 2.156 18.231 ( 0.988 -1.916 0.000) 2.156 18.479 ( -9.323 2.895 0.000) 9.762 18.479 ( 9.323 2.895 0.000) 9.762 18.584 ( -5.303 -5.577 0.000) 7.695 18.584 ( 5.303 -5.577 0.000) 7.695 18.814 ( -0.134 -0.045 0.000) 0.142 18.814 ( 0.134 -0.045 0.000) 0.142 18.818 ( -0.001 0.060 0.000) 0.060 18.818 ( 0.001 0.060 0.000) 0.060 19.206 ( -3.476 -1.545 0.000) 3.804 19.206 ( 3.476 -1.545 0.000) 3.804 19.494 ( -1.067 -1.023 0.000) 1.478 19.494 ( 1.067 -1.023 0.000) 1.478 19.881 ( -6.504 0.827 0.000) 6.556 19.881 ( 6.504 0.827 0.000) 6.556 20.329 ( -1.968 2.264 0.000) 3.000 20.329 ( 1.968 2.264 0.000) 3.000 20.404 ( -2.299 0.781 0.000) 2.428 20.404 ( 2.299 0.781 0.000) 2.428 20.735 ( -8.359 -1.229 0.000) 8.449 20.735 ( 8.359 -1.229 0.000) 8.449 20.979 ( -0.031 -4.098 0.000) 4.098 20.979 ( 0.031 -4.098 0.000) 4.098 21.108 ( -3.407 -0.455 0.000) 3.437 21.108 ( 3.407 -0.455 0.000) 3.437 21.231 ( -11.172 1.394 0.000) 11.259 21.231 ( 11.172 1.394 0.000) 11.259 21.543 ( -5.575 -2.794 0.000) 6.235 21.543 ( 5.575 -2.794 0.000) 6.235 22.040 ( -0.158 1.995 0.000) 2.001 22.040 ( 0.158 1.995 0.000) 2.001 22.570 ( -0.012 -1.542 0.000) 1.542 22.570 ( 0.012 -1.542 0.000) 1.542 22.948 ( -2.492 0.615 0.000) 2.566 22.948 ( 2.492 0.615 0.000) 2.566 23.269 ( -11.692 1.672 0.000) 11.811 23.269 ( 11.692 1.672 0.000) 11.811 23.360 ( -2.591 -0.444 0.000) 2.629 23.360 ( 2.591 -0.444 0.000) 2.629 23.547 ( -9.528 -3.519 0.000) 10.157 23.547 ( 9.528 -3.519 0.000) 10.157 23.860 ( -4.035 2.039 0.000) 4.521 23.860 ( 4.035 2.039 0.000) 4.521 24.281 ( -8.371 -0.700 0.000) 8.400 24.281 ( 8.371 -0.700 0.000) 8.400 24.478 ( -4.226 -1.394 0.000) 4.450 24.478 ( 4.226 -1.394 0.000) 4.450 24.564 ( -1.118 2.602 0.000) 2.832 24.564 ( 1.118 2.602 0.000) 2.832 25.162 ( -17.590 0.996 0.000) 17.618 25.162 ( 17.590 0.996 0.000) 17.618 25.649 ( -7.704 0.438 0.000) 7.716 25.649 ( 7.704 0.438 0.000) 7.716 25.785 ( -4.929 -5.796 0.000) 7.608 25.785 ( 4.929 -5.796 0.000) 7.608 26.064 ( -4.493 0.183 0.000) 4.496 26.064 ( 4.493 0.183 0.000) 4.496 26.609 ( -16.360 -4.006 0.000) 16.843 26.609 ( 16.360 -4.006 0.000) 16.843 27.004 ( -18.426 -3.995 0.000) 18.854 27.004 ( 18.426 -3.995 0.000) 18.854 27.400 ( -47.389 -25.979 0.000) 54.043 27.400 ( 47.389 -25.979 0.000) 54.043 27.695 ( -10.591 -3.834 0.000) 11.264 27.695 ( 10.591 -3.834 0.000) 11.264 27.917 ( -5.160 -14.174 0.000) 15.084 27.917 ( 5.160 -14.174 0.000) 15.084 28.521 ( -6.564 -1.418 0.000) 6.715 28.521 ( 6.564 -1.418 0.000) 6.715 28.751 ( -2.785 -5.585 0.000) 6.241 28.751 ( 2.785 -5.585 0.000) 6.241 29.257 ( -13.991 -1.358 0.000) 14.056 29.257 ( 13.991 -1.358 0.000) 14.056 29.715 ( -0.010 -4.810 0.000) 4.810 29.715 ( 0.010 -4.810 0.000) 4.810 29.862 ( -7.657 -3.999 0.000) 8.639 29.862 ( 7.657 -3.999 0.000) 8.639 30.340 ( -8.107 -1.076 0.000) 8.178 30.340 ( 8.107 -1.076 0.000) 8.178 30.744 ( -9.437 -1.081 0.000) 9.498 30.744 ( 9.437 -1.081 0.000) 9.498 30.827 ( -1.390 -0.131 0.000) 1.396 30.827 ( 1.390 -0.131 0.000) 1.396 31.171 ( -4.237 -7.312 0.000) 8.451 31.171 ( 4.237 -7.312 0.000) 8.451 31.268 ( -0.833 -6.189 0.000) 6.244 31.268 ( 0.833 -6.189 0.000) 6.244 31.689 ( -4.859 -1.852 0.000) 5.200 31.689 ( 4.859 -1.852 0.000) 5.200 31.754 ( -0.001 -8.788 0.000) 8.788 31.754 ( 0.001 -8.788 0.000) 8.788 32.299 ( -5.051 -3.782 0.000) 6.310 32.299 ( 5.051 -3.782 0.000) 6.310 32.337 ( -0.321 -8.192 0.000) 8.199 32.337 ( 0.321 -8.192 0.000) 8.199 32.811 ( -3.039 -6.070 0.000) 6.788 32.811 ( 3.039 -6.070 0.000) 6.788 33.192 ( -1.616 -1.020 0.000) 1.911 33.192 ( 1.616 -1.020 0.000) 1.911 33.979 ( -0.154 5.423 0.000) 5.425 33.979 ( 0.154 5.423 0.000) 5.425 34.380 ( -0.251 2.229 0.000) 2.243 34.380 ( 0.251 2.229 0.000) 2.243 36.395 ( -62.051 13.934 0.000) 63.597 36.395 ( 62.051 13.934 0.000) 63.597 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.644 ( 0.000 22.261 0.000) 22.261 1.661 ( 0.000 20.097 0.000) 20.097 2.332 ( 0.000 5.902 0.000) 5.902 2.342 ( 0.000 32.526 0.000) 32.526 2.369 ( 0.000 -5.853 0.000) 5.853 2.513 ( 0.000 16.488 0.000) 16.488 2.798 ( 0.000 9.796 0.000) 9.796 2.829 ( 0.000 2.396 0.000) 2.396 2.948 ( 0.000 3.165 0.000) 3.165 2.962 ( 0.000 1.031 0.000) 1.031 2.995 ( 0.000 7.742 0.000) 7.742 3.101 ( 0.000 -5.276 0.000) 5.276 3.153 ( 0.000 10.468 0.000) 10.468 3.179 ( 0.000 3.576 0.000) 3.576 3.214 ( 0.000 -8.078 0.000) 8.078 3.252 ( 0.000 3.620 0.000) 3.620 3.299 ( 0.000 -2.798 0.000) 2.798 3.365 ( 0.000 3.301 0.000) 3.301 3.482 ( 0.000 -0.934 0.000) 0.934 3.501 ( 0.000 -2.957 0.000) 2.957 3.523 ( 0.000 3.417 0.000) 3.417 3.578 ( 0.000 8.745 0.000) 8.745 3.730 ( 0.000 -7.180 0.000) 7.180 3.881 ( 0.000 -1.922 0.000) 1.922 3.977 ( 0.000 3.698 0.000) 3.698 4.192 ( 0.000 -9.327 0.000) 9.327 4.265 ( 0.000 -9.985 0.000) 9.985 4.266 ( 0.000 -2.881 0.000) 2.881 4.333 ( 0.000 -0.193 0.000) 0.193 4.610 ( 0.000 -2.085 0.000) 2.085 4.715 ( 0.000 -8.421 0.000) 8.421 4.875 ( 0.000 2.725 0.000) 2.725 4.973 ( 0.000 -3.714 0.000) 3.714 5.119 ( 0.000 -0.776 0.000) 0.776 5.701 ( 0.000 -0.676 0.000) 0.676 5.816 ( 0.000 -3.081 0.000) 3.081 5.876 ( 0.000 -1.690 0.000) 1.690 6.190 ( 0.000 -2.485 0.000) 2.485 6.193 ( 0.000 -1.081 0.000) 1.081 6.478 ( 0.000 -8.267 0.000) 8.267 6.513 ( 0.000 1.553 0.000) 1.553 6.515 ( 0.000 -3.190 0.000) 3.190 6.685 ( 0.000 -0.195 0.000) 0.195 6.742 ( 0.000 -11.305 0.000) 11.305 7.116 ( 0.000 -2.580 0.000) 2.580 7.202 ( 0.000 -3.558 0.000) 3.558 7.398 ( 0.000 3.715 0.000) 3.715 7.664 ( 0.000 -3.514 0.000) 3.514 7.685 ( 0.000 -3.736 0.000) 3.736 7.721 ( 0.000 -4.825 0.000) 4.825 7.943 ( 0.000 0.957 0.000) 0.957 7.966 ( 0.000 1.962 0.000) 1.962 8.246 ( 0.000 0.155 0.000) 0.155 8.328 ( 0.000 -4.369 0.000) 4.369 8.369 ( 0.000 7.716 0.000) 7.716 8.499 ( 0.000 2.150 0.000) 2.150 8.809 ( 0.000 0.274 0.000) 0.274 8.818 ( 0.000 0.901 0.000) 0.901 8.831 ( 0.000 -4.487 0.000) 4.487 8.964 ( 0.000 -17.609 0.000) 17.609 8.989 ( 0.000 -0.524 0.000) 0.524 9.176 ( 0.000 2.145 0.000) 2.145 9.311 ( 0.000 -1.892 0.000) 1.892 9.644 ( 0.000 -3.674 0.000) 3.674 9.747 ( 0.000 -2.582 0.000) 2.582 9.908 ( 0.000 -0.563 0.000) 0.563 9.929 ( 0.000 -0.809 0.000) 0.809 9.936 ( 0.000 5.160 0.000) 5.160 10.073 ( 0.000 -1.959 0.000) 1.959 10.155 ( 0.000 1.224 0.000) 1.224 10.366 ( 0.000 -4.107 0.000) 4.107 10.445 ( 0.000 -0.216 0.000) 0.216 10.465 ( 0.000 -6.879 0.000) 6.879 10.637 ( 0.000 -3.944 0.000) 3.944 10.801 ( 0.000 -4.184 0.000) 4.184 11.019 ( 0.000 -7.114 0.000) 7.114 11.077 ( 0.000 -5.335 0.000) 5.335 11.133 ( 0.000 -0.830 0.000) 0.830 11.177 ( 0.000 -1.141 0.000) 1.141 11.276 ( 0.000 -1.181 0.000) 1.181 11.279 ( 0.000 -5.921 0.000) 5.921 11.311 ( 0.000 -0.950 0.000) 0.950 11.397 ( 0.000 2.939 0.000) 2.939 11.532 ( 0.000 -1.757 0.000) 1.757 11.600 ( 0.000 -3.494 0.000) 3.494 11.966 ( 0.000 -1.553 0.000) 1.553 12.070 ( 0.000 -4.019 0.000) 4.019 12.147 ( 0.000 0.719 0.000) 0.719 12.233 ( 0.000 -0.088 0.000) 0.088 12.344 ( 0.000 1.066 0.000) 1.066 12.382 ( 0.000 0.677 0.000) 0.677 12.385 ( 0.000 3.066 0.000) 3.066 12.422 ( 0.000 -3.970 0.000) 3.970 12.719 ( 0.000 1.537 0.000) 1.537 12.754 ( 0.000 2.396 0.000) 2.396 12.811 ( 0.000 -2.555 0.000) 2.555 12.869 ( 0.000 5.333 0.000) 5.333 12.896 ( 0.000 -0.704 0.000) 0.704 13.057 ( 0.000 -6.087 0.000) 6.087 13.097 ( 0.000 1.053 0.000) 1.053 13.146 ( 0.000 -4.170 0.000) 4.170 13.335 ( 0.000 -0.726 0.000) 0.726 13.434 ( 0.000 -6.595 0.000) 6.595 13.557 ( 0.000 -2.453 0.000) 2.453 13.577 ( 0.000 2.001 0.000) 2.001 13.659 ( 0.000 -0.792 0.000) 0.792 13.678 ( 0.000 3.600 0.000) 3.600 13.876 ( 0.000 -2.731 0.000) 2.731 14.030 ( 0.000 0.303 0.000) 0.303 14.187 ( 0.000 5.803 0.000) 5.803 14.290 ( 0.000 0.940 0.000) 0.940 14.676 ( 0.000 -0.496 0.000) 0.496 14.720 ( 0.000 1.848 0.000) 1.848 14.937 ( 0.000 4.204 0.000) 4.204 15.466 ( 0.000 -1.999 0.000) 1.999 15.484 ( 0.000 -1.576 0.000) 1.576 15.629 ( 0.000 -4.502 0.000) 4.502 15.666 ( 0.000 8.386 0.000) 8.386 15.803 ( 0.000 -2.904 0.000) 2.904 15.843 ( 0.000 2.363 0.000) 2.363 15.920 ( 0.000 5.713 0.000) 5.713 16.060 ( 0.000 -1.551 0.000) 1.551 16.547 ( 0.000 -1.048 0.000) 1.048 16.629 ( 0.000 2.371 0.000) 2.371 16.660 ( 0.000 -2.786 0.000) 2.786 16.996 ( 0.000 0.817 0.000) 0.817 17.237 ( 0.000 2.330 0.000) 2.330 17.330 ( 0.000 5.815 0.000) 5.815 17.438 ( 0.000 2.889 0.000) 2.889 17.548 ( 0.000 3.019 0.000) 3.019 17.584 ( 0.000 0.355 0.000) 0.355 17.778 ( 0.000 -1.487 0.000) 1.487 17.939 ( 0.000 -1.017 0.000) 1.017 18.127 ( 0.000 -0.082 0.000) 0.082 18.127 ( 0.000 -0.613 0.000) 0.613 18.233 ( 0.000 -0.675 0.000) 0.675 18.410 ( 0.000 2.100 0.000) 2.100 18.426 ( 0.000 -0.582 0.000) 0.582 18.633 ( 0.000 0.124 0.000) 0.124 18.710 ( 0.000 3.584 0.000) 3.584 18.819 ( 0.000 -0.287 0.000) 0.287 18.842 ( 0.000 -1.212 0.000) 1.212 18.871 ( 0.000 -0.344 0.000) 0.344 18.913 ( 0.000 -0.269 0.000) 0.269 19.151 ( 0.000 0.822 0.000) 0.822 19.247 ( 0.000 -2.004 0.000) 2.004 19.381 ( 0.000 -0.530 0.000) 0.530 19.437 ( 0.000 -0.779 0.000) 0.779 19.466 ( 0.000 -0.414 0.000) 0.414 19.745 ( 0.000 2.809 0.000) 2.809 19.885 ( 0.000 0.843 0.000) 0.843 20.059 ( 0.000 -0.250 0.000) 0.250 20.467 ( 0.000 0.299 0.000) 0.299 20.753 ( 0.000 4.018 0.000) 4.018 20.895 ( 0.000 -4.583 0.000) 4.583 20.922 ( 0.000 -0.231 0.000) 0.231 20.985 ( 0.000 1.390 0.000) 1.390 21.000 ( 0.000 -1.305 0.000) 1.305 21.058 ( 0.000 1.343 0.000) 1.343 21.169 ( 0.000 -1.609 0.000) 1.609 21.237 ( 0.000 0.818 0.000) 0.818 21.332 ( 0.000 -1.919 0.000) 1.919 21.465 ( 0.000 -1.519 0.000) 1.519 21.527 ( 0.000 2.177 0.000) 2.177 22.091 ( 0.000 -0.832 0.000) 0.832 22.434 ( 0.000 -3.355 0.000) 3.355 22.511 ( 0.000 -0.825 0.000) 0.825 22.657 ( 0.000 0.550 0.000) 0.550 22.743 ( 0.000 1.965 0.000) 1.965 22.814 ( 0.000 2.683 0.000) 2.683 23.096 ( 0.000 1.129 0.000) 1.129 23.187 ( 0.000 -3.003 0.000) 3.003 23.206 ( 0.000 -1.763 0.000) 1.763 23.341 ( 0.000 2.379 0.000) 2.379 23.623 ( 0.000 2.254 0.000) 2.254 23.849 ( 0.000 2.145 0.000) 2.145 23.999 ( 0.000 -0.382 0.000) 0.382 24.156 ( 0.000 5.348 0.000) 5.348 24.216 ( 0.000 0.277 0.000) 0.277 24.219 ( 0.000 0.216 0.000) 0.216 24.388 ( 0.000 1.678 0.000) 1.678 24.543 ( 0.000 0.065 0.000) 0.065 24.741 ( 0.000 0.375 0.000) 0.375 24.831 ( 0.000 4.441 0.000) 4.441 24.925 ( 0.000 -0.047 0.000) 0.047 25.002 ( 0.000 -0.009 0.000) 0.009 25.137 ( 0.000 0.702 0.000) 0.702 25.212 ( 0.000 -4.896 0.000) 4.896 25.417 ( 0.000 -6.406 0.000) 6.406 25.863 ( 0.000 0.482 0.000) 0.482 25.885 ( 0.000 1.514 0.000) 1.514 26.094 ( 0.000 -4.300 0.000) 4.300 26.323 ( 0.000 -1.214 0.000) 1.214 26.345 ( 0.000 1.746 0.000) 1.746 26.481 ( 0.000 -1.040 0.000) 1.040 26.699 ( 0.000 0.039 0.000) 0.039 26.896 ( 0.000 0.083 0.000) 0.083 27.713 ( 0.000 -0.249 0.000) 0.249 27.800 ( 0.000 -0.575 0.000) 0.575 28.027 ( 0.000 -7.231 0.000) 7.231 28.218 ( 0.000 -8.539 0.000) 8.539 28.353 ( 0.000 0.237 0.000) 0.237 28.394 ( 0.000 -5.698 0.000) 5.698 28.542 ( 0.000 -12.945 0.000) 12.945 28.813 ( 0.000 -2.740 0.000) 2.740 28.959 ( 0.000 -1.765 0.000) 1.765 29.003 ( 0.000 -5.274 0.000) 5.274 29.032 ( 0.000 -9.480 0.000) 9.480 29.185 ( 0.000 -0.779 0.000) 0.779 29.580 ( 0.000 -0.504 0.000) 0.504 29.778 ( 0.000 -5.515 0.000) 5.515 30.063 ( 0.000 0.156 0.000) 0.156 30.283 ( 0.000 -6.263 0.000) 6.263 30.314 ( 0.000 -1.766 0.000) 1.766 30.413 ( 0.000 -0.975 0.000) 0.975 30.826 ( 0.000 -1.648 0.000) 1.648 30.851 ( 0.000 -3.523 0.000) 3.523 30.928 ( 0.000 -10.167 0.000) 10.167 30.940 ( 0.000 -2.424 0.000) 2.424 30.960 ( 0.000 -2.321 0.000) 2.321 31.039 ( 0.000 -1.602 0.000) 1.602 31.230 ( 0.000 -3.732 0.000) 3.732 31.490 ( 0.000 0.611 0.000) 0.611 31.501 ( 0.000 -8.000 0.000) 8.000 31.699 ( 0.000 -7.271 0.000) 7.271 31.912 ( 0.000 -2.518 0.000) 2.518 32.043 ( 0.000 -4.090 0.000) 4.090 32.167 ( 0.000 -8.462 0.000) 8.462 32.284 ( 0.000 -3.025 0.000) 3.025 32.516 ( 0.000 -0.092 0.000) 0.092 32.526 ( 0.000 -9.564 0.000) 9.564 32.678 ( 0.000 -4.379 0.000) 4.379 33.278 ( 0.000 -0.616 0.000) 0.616 33.636 ( 0.000 -1.276 0.000) 1.276 33.750 ( 0.000 -0.405 0.000) 0.405 33.857 ( 0.000 -0.706 0.000) 0.706 34.044 ( 0.000 -1.866 0.000) 1.866 34.548 ( 0.000 -6.485 0.000) 6.485 35.228 ( 0.000 2.793 0.000) 2.793 37.709 ( 0.000 -38.234 0.000) 38.234 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.25 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 10.057 16.893 0.000) 19.660 1.931 ( 20.057 14.819 0.000) 24.938 2.214 ( -9.635 23.005 0.000) 24.941 2.291 ( -2.887 10.185 0.000) 10.586 2.421 ( 4.798 -4.991 0.000) 6.923 2.680 ( 13.911 18.742 0.000) 23.340 2.769 ( -8.489 0.905 0.000) 8.537 2.850 ( 4.931 8.134 0.000) 9.512 2.922 ( 4.752 3.360 0.000) 5.820 3.004 ( 0.598 5.774 0.000) 5.805 3.093 ( 1.062 3.936 0.000) 4.077 3.103 ( 2.751 1.761 0.000) 3.267 3.110 ( 0.089 -5.732 0.000) 5.733 3.170 ( -3.714 5.668 0.000) 6.777 3.235 ( 0.840 -0.376 0.000) 0.921 3.243 ( 2.170 2.901 0.000) 3.623 3.264 ( -1.737 -0.051 0.000) 1.737 3.357 ( 1.590 2.799 0.000) 3.219 3.449 ( -4.240 -0.621 0.000) 4.285 3.481 ( -2.605 3.287 0.000) 4.194 3.496 ( 0.360 -0.300 0.000) 0.468 3.713 ( 9.638 8.309 0.000) 12.725 3.764 ( 0.955 -5.381 0.000) 5.465 3.911 ( 2.513 -2.395 0.000) 3.471 3.961 ( -1.684 2.470 0.000) 2.989 4.169 ( -0.639 -6.485 0.000) 6.517 4.187 ( -15.092 4.258 0.000) 15.681 4.277 ( 0.987 -8.705 0.000) 8.761 4.310 ( 2.169 -5.551 0.000) 5.960 4.408 ( -13.250 1.303 0.000) 13.314 4.677 ( -2.724 -6.302 0.000) 6.866 4.694 ( -6.252 -2.116 0.000) 6.600 5.217 ( 6.843 -1.969 0.000) 7.121 5.244 ( 14.797 -4.641 0.000) 15.508 5.571 ( -10.816 -1.202 0.000) 10.882 5.720 ( -8.501 -4.308 0.000) 9.530 6.106 ( 16.337 -0.825 0.000) 16.358 6.233 ( 3.926 -1.615 0.000) 4.245 6.320 ( 0.478 -2.173 0.000) 2.225 6.347 ( 11.350 -3.240 0.000) 11.803 6.457 ( -3.506 -3.708 0.000) 5.103 6.662 ( -1.356 -7.075 0.000) 7.204 6.827 ( 16.129 -0.358 0.000) 16.133 6.962 ( 20.894 -2.499 0.000) 21.043 6.991 ( -12.789 -4.444 0.000) 13.540 7.180 ( 4.976 -2.409 0.000) 5.528 7.405 ( -0.699 -4.695 0.000) 4.747 7.584 ( -6.986 -2.321 0.000) 7.361 7.691 ( -17.779 1.852 0.000) 17.875 7.735 ( 0.476 -3.046 0.000) 3.083 7.799 ( 6.765 0.890 0.000) 6.824 7.993 ( 4.449 -1.818 0.000) 4.806 8.268 ( -7.681 -3.583 0.000) 8.476 8.323 ( 1.459 -1.429 0.000) 2.042 8.414 ( 4.163 5.626 0.000) 6.999 8.497 ( 0.149 -2.430 0.000) 2.435 8.579 ( -12.374 -5.935 0.000) 13.724 8.772 ( -10.315 0.180 0.000) 10.317 8.825 ( -12.249 -0.978 0.000) 12.288 8.882 ( -2.288 -3.055 0.000) 3.816 9.095 ( 18.789 1.273 0.000) 18.832 9.338 ( 15.225 -5.494 0.000) 16.186 9.374 ( -43.246 -4.219 0.000) 43.451 9.439 ( -11.503 -1.823 0.000) 11.647 9.694 ( 17.939 -0.352 0.000) 17.943 9.700 ( -7.206 1.529 0.000) 7.366 9.728 ( -4.920 -2.363 0.000) 5.458 9.813 ( -10.072 4.406 0.000) 10.994 10.150 ( 6.513 -1.954 0.000) 6.800 10.169 ( -3.661 -5.499 0.000) 6.606 10.238 ( 7.774 0.992 0.000) 7.837 10.284 ( -2.606 -2.442 0.000) 3.571 10.511 ( 1.645 -1.068 0.000) 1.961 10.743 ( -13.150 -1.235 0.000) 13.208 10.819 ( -2.305 -2.380 0.000) 3.313 10.988 ( -19.477 -0.620 0.000) 19.487 11.056 ( 0.945 -5.062 0.000) 5.150 11.074 ( -3.979 -5.048 0.000) 6.428 11.102 ( 3.881 -6.533 0.000) 7.599 11.244 ( -5.004 -4.605 0.000) 6.800 11.337 ( 14.380 -2.496 0.000) 14.595 11.413 ( 5.365 1.041 0.000) 5.465 11.530 ( 16.649 -3.749 0.000) 17.066 11.670 ( 5.804 -0.999 0.000) 5.889 11.740 ( 9.402 -0.754 0.000) 9.432 11.942 ( -0.605 -1.866 0.000) 1.962 12.040 ( -5.323 -0.637 0.000) 5.361 12.135 ( -1.053 -1.007 0.000) 1.457 12.314 ( 1.026 -0.684 0.000) 1.233 12.384 ( 6.444 1.292 0.000) 6.572 12.430 ( 0.875 -2.371 0.000) 2.528 12.466 ( 3.374 -0.355 0.000) 3.392 12.520 ( -9.571 0.933 0.000) 9.617 12.533 ( 11.738 4.990 0.000) 12.755 12.729 ( -6.386 2.597 0.000) 6.894 12.759 ( -1.803 1.739 0.000) 2.505 12.944 ( 14.078 -1.527 0.000) 14.161 12.988 ( -1.451 -1.612 0.000) 2.169 13.000 ( -2.757 -4.677 0.000) 5.430 13.075 ( -8.721 -3.161 0.000) 9.276 13.191 ( 0.849 2.571 0.000) 2.708 13.340 ( 2.272 -5.599 0.000) 6.042 13.370 ( 2.050 2.589 0.000) 3.303 13.494 ( -1.125 1.268 0.000) 1.695 13.626 ( 4.708 -3.121 0.000) 5.649 13.738 ( 1.162 0.131 0.000) 1.169 13.740 ( 6.839 -0.886 0.000) 6.896 13.871 ( 8.059 0.292 0.000) 8.064 14.132 ( -4.949 2.454 0.000) 5.523 14.200 ( -6.461 1.965 0.000) 6.753 14.419 ( 20.802 2.783 0.000) 20.987 14.811 ( 13.697 -2.645 0.000) 13.950 14.844 ( 11.081 3.337 0.000) 11.572 14.913 ( -2.490 3.380 0.000) 4.198 15.292 ( -8.334 -2.319 0.000) 8.651 15.327 ( -10.552 -3.402 0.000) 11.087 15.493 ( -15.225 6.908 0.000) 16.718 15.548 ( -7.105 -4.366 0.000) 8.340 15.807 ( -12.876 4.342 0.000) 13.589 15.859 ( -1.469 0.401 0.000) 1.523 15.921 ( 4.441 0.699 0.000) 4.495 16.055 ( 5.863 -0.913 0.000) 5.934 16.188 ( -25.087 -1.733 0.000) 25.147 16.512 ( -23.869 1.724 0.000) 23.932 16.827 ( 17.924 -2.314 0.000) 18.073 16.905 ( 8.084 0.956 0.000) 8.141 17.324 ( -0.133 1.611 0.000) 1.617 17.445 ( 8.043 7.301 0.000) 10.862 17.501 ( 2.096 0.646 0.000) 2.194 17.660 ( 6.724 0.529 0.000) 6.745 17.687 ( 2.271 -2.367 0.000) 3.280 17.820 ( 3.386 0.499 0.000) 3.422 17.897 ( 2.381 2.860 0.000) 3.721 18.172 ( -13.471 3.031 0.000) 13.808 18.215 ( -1.725 -0.776 0.000) 1.891 18.217 ( 5.400 -2.859 0.000) 6.110 18.222 ( 7.808 -0.089 0.000) 7.809 18.377 ( -1.827 -1.127 0.000) 2.146 18.644 ( -0.609 2.827 0.000) 2.892 18.694 ( -6.229 -0.424 0.000) 6.243 18.796 ( 0.825 -0.256 0.000) 0.864 18.820 ( -0.077 -0.050 0.000) 0.092 18.862 ( -2.178 0.355 0.000) 2.206 18.978 ( -12.661 -0.233 0.000) 12.663 19.008 ( 8.014 -0.830 0.000) 8.057 19.262 ( -0.534 -1.852 0.000) 1.927 19.422 ( 2.271 -1.284 0.000) 2.609 19.474 ( 1.806 -1.241 0.000) 2.192 19.649 ( 15.137 1.005 0.000) 15.171 19.839 ( 7.859 1.425 0.000) 7.987 20.087 ( 17.478 1.486 0.000) 17.541 20.199 ( 11.367 0.568 0.000) 11.381 20.447 ( -1.997 0.355 0.000) 2.028 20.637 ( -10.245 3.332 0.000) 10.773 20.700 ( -9.614 -1.122 0.000) 9.679 20.918 ( -0.577 -2.664 0.000) 2.726 20.934 ( -4.047 -2.263 0.000) 4.637 20.981 ( -0.972 0.359 0.000) 1.036 21.032 ( -6.933 0.307 0.000) 6.940 21.121 ( 2.395 1.042 0.000) 2.612 21.274 ( -12.518 -1.066 0.000) 12.563 21.377 ( 3.870 -2.116 0.000) 4.411 21.433 ( 5.217 -1.480 0.000) 5.423 21.506 ( -1.967 0.572 0.000) 2.048 22.249 ( -14.030 2.139 0.000) 14.192 22.291 ( 3.356 0.268 0.000) 3.367 22.360 ( -7.387 0.512 0.000) 7.405 22.440 ( 1.912 -2.644 0.000) 3.262 22.914 ( 5.757 1.143 0.000) 5.870 22.994 ( 17.125 1.927 0.000) 17.233 23.164 ( -7.238 1.404 0.000) 7.373 23.267 ( 5.024 -1.171 0.000) 5.159 23.284 ( 7.872 -0.684 0.000) 7.901 23.303 ( 4.099 -0.756 0.000) 4.168 23.543 ( -7.823 2.080 0.000) 8.095 23.750 ( -14.891 -1.049 0.000) 14.928 23.868 ( -0.889 1.886 0.000) 2.085 24.050 ( -7.837 4.428 0.000) 9.001 24.200 ( -0.124 0.029 0.000) 0.127 24.300 ( 6.600 -0.777 0.000) 6.646 24.481 ( 6.698 2.212 0.000) 7.054 24.521 ( -15.986 -0.549 0.000) 15.996 24.666 ( -5.041 0.133 0.000) 5.043 24.735 ( -6.164 3.511 0.000) 7.094 24.849 ( 10.487 -0.348 0.000) 10.493 25.317 ( 18.900 0.382 0.000) 18.903 25.400 ( 29.455 -5.383 0.000) 29.943 25.414 ( 13.895 -3.804 0.000) 14.407 25.560 ( -16.291 1.329 0.000) 16.345 25.838 ( -3.088 0.560 0.000) 3.138 25.852 ( 23.543 -2.323 0.000) 23.657 26.090 ( 4.239 -6.190 0.000) 7.502 26.245 ( -9.156 1.141 0.000) 9.226 26.322 ( 6.349 -2.610 0.000) 6.864 26.705 ( -0.265 -0.185 0.000) 0.323 26.890 ( 1.552 -0.174 0.000) 1.562 26.951 ( 32.194 -1.853 0.000) 32.247 27.498 ( -33.100 -5.099 0.000) 33.490 27.730 ( -9.976 -1.380 0.000) 10.071 27.799 ( -0.049 -0.584 0.000) 0.586 28.031 ( -32.774 -18.533 0.000) 37.651 28.066 ( -14.920 -10.787 0.000) 18.411 28.401 ( 4.480 0.112 0.000) 4.482 28.643 ( -14.047 -2.830 0.000) 14.329 28.705 ( -2.775 -2.286 0.000) 3.595 28.796 ( -11.767 -5.029 0.000) 12.796 28.883 ( 17.808 -2.212 0.000) 17.945 29.305 ( 16.148 -5.001 0.000) 16.905 29.421 ( 12.746 -1.729 0.000) 12.863 29.490 ( -6.926 -0.810 0.000) 6.974 29.866 ( 0.924 -4.209 0.000) 4.309 30.082 ( -16.905 -5.942 0.000) 17.918 30.151 ( 8.070 0.006 0.000) 8.070 30.408 ( -1.747 -1.377 0.000) 2.225 30.451 ( 13.972 -1.476 0.000) 14.050 30.796 ( -1.158 -1.107 0.000) 1.602 30.859 ( -4.918 -1.827 0.000) 5.246 30.882 ( 3.869 -5.448 0.000) 6.682 30.924 ( -4.958 -1.804 0.000) 5.276 31.028 ( 7.390 -8.843 0.000) 11.524 31.127 ( 3.533 -1.490 0.000) 3.834 31.214 ( -2.069 -3.168 0.000) 3.784 31.515 ( 1.003 -3.476 0.000) 3.618 31.573 ( 5.774 -6.194 0.000) 8.468 31.642 ( -0.732 -5.013 0.000) 5.066 31.826 ( -8.354 -1.740 0.000) 8.533 32.111 ( 4.505 -4.339 0.000) 6.255 32.146 ( -1.759 -8.974 0.000) 9.145 32.228 ( -4.112 -5.834 0.000) 7.138 32.352 ( -8.071 -3.543 0.000) 8.814 32.563 ( 4.197 -7.051 0.000) 8.206 32.877 ( 8.514 -1.353 0.000) 8.621 33.188 ( -21.047 -2.663 0.000) 21.215 33.255 ( -2.704 -1.074 0.000) 2.910 33.871 ( 10.605 0.324 0.000) 10.610 33.984 ( 5.196 0.842 0.000) 5.264 34.308 ( 9.422 -3.652 0.000) 10.105 34.470 ( -7.085 -5.830 0.000) 9.175 35.508 ( 31.404 -0.119 0.000) 31.405 37.302 ( -38.309 -28.483 0.000) 47.737 ======================= Grid point 17 (12/54) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -4.689 15.312 0.000) 16.014 1.998 ( 4.689 15.312 0.000) 16.014 2.201 ( -2.910 13.781 0.000) 14.085 2.201 ( 2.910 13.781 0.000) 14.085 2.572 ( -8.460 -1.674 0.000) 8.624 2.572 ( 8.460 -1.674 0.000) 8.624 2.946 ( -3.461 6.122 0.000) 7.033 2.946 ( 3.462 6.122 0.000) 7.033 2.952 ( -0.556 4.051 0.000) 4.089 2.952 ( 0.556 4.051 0.000) 4.089 3.069 ( -0.383 0.104 0.000) 0.397 3.069 ( 0.383 0.104 0.000) 0.397 3.167 ( -0.828 6.097 0.000) 6.153 3.167 ( 0.828 6.097 0.000) 6.153 3.257 ( -0.705 1.082 0.000) 1.292 3.257 ( 0.705 1.082 0.000) 1.292 3.305 ( -8.420 0.921 0.000) 8.470 3.305 ( 8.420 0.921 0.000) 8.470 3.478 ( -0.547 1.112 0.000) 1.239 3.478 ( 0.547 1.112 0.000) 1.239 3.583 ( -13.071 3.156 0.000) 13.446 3.583 ( 13.071 3.156 0.000) 13.446 3.893 ( -2.774 8.308 0.000) 8.759 3.893 ( 2.774 8.308 0.000) 8.759 3.955 ( -0.848 -0.605 0.000) 1.042 3.955 ( 0.848 -0.605 0.000) 1.042 4.208 ( -3.079 -3.103 0.000) 4.371 4.208 ( 3.079 -3.103 0.000) 4.371 4.316 ( -0.398 -7.347 0.000) 7.358 4.316 ( 0.398 -7.347 0.000) 7.358 4.644 ( -0.017 -3.047 0.000) 3.047 4.644 ( 0.017 -3.047 0.000) 3.047 5.362 ( -4.776 -2.246 0.000) 5.278 5.362 ( 4.776 -2.246 0.000) 5.278 5.510 ( -9.084 -5.805 0.000) 10.780 5.510 ( 9.084 -5.805 0.000) 10.780 6.320 ( -1.846 -1.529 0.000) 2.397 6.320 ( 1.846 -1.529 0.000) 2.397 6.351 ( -3.569 -1.919 0.000) 4.053 6.351 ( 3.569 -1.919 0.000) 4.053 6.520 ( -10.604 -2.685 0.000) 10.939 6.520 ( 10.604 -2.685 0.000) 10.939 7.161 ( -8.959 0.110 0.000) 8.960 7.161 ( 8.959 0.110 0.000) 8.960 7.205 ( -0.011 -6.766 0.000) 6.766 7.205 ( 0.011 -6.766 0.000) 6.766 7.401 ( -4.072 -0.824 0.000) 4.155 7.401 ( 4.072 -0.824 0.000) 4.155 7.550 ( -16.144 -3.083 0.000) 16.436 7.550 ( 16.144 -3.083 0.000) 16.436 7.928 ( -0.760 -2.829 0.000) 2.930 7.928 ( 0.760 -2.829 0.000) 2.930 8.207 ( -3.429 -7.003 0.000) 7.797 8.207 ( 3.429 -7.003 0.000) 7.797 8.462 ( -0.182 1.536 0.000) 1.547 8.462 ( 0.182 1.536 0.000) 1.547 8.555 ( -0.030 -3.494 0.000) 3.494 8.555 ( 0.030 -3.494 0.000) 3.494 8.805 ( -1.936 2.634 0.000) 3.269 8.805 ( 1.936 2.634 0.000) 3.269 9.025 ( -8.018 -0.934 0.000) 8.072 9.025 ( 8.018 -0.934 0.000) 8.072 9.497 ( -11.530 0.609 0.000) 11.546 9.497 ( 11.530 0.609 0.000) 11.546 9.654 ( -2.063 0.601 0.000) 2.149 9.654 ( 2.063 0.601 0.000) 2.149 9.849 ( -17.808 -3.636 0.000) 18.175 9.849 ( 17.808 -3.636 0.000) 18.175 10.043 ( -3.600 -0.559 0.000) 3.643 10.043 ( 3.600 -0.559 0.000) 3.643 10.393 ( -0.420 0.350 0.000) 0.546 10.393 ( 0.420 0.350 0.000) 0.546 10.608 ( -7.099 -2.404 0.000) 7.495 10.608 ( 7.099 -2.404 0.000) 7.495 10.685 ( -10.732 -3.124 0.000) 11.177 10.685 ( 10.732 -3.124 0.000) 11.177 11.052 ( -0.010 -5.587 0.000) 5.587 11.052 ( 0.010 -5.587 0.000) 5.587 11.185 ( -2.910 -6.284 0.000) 6.925 11.185 ( 2.910 -6.284 0.000) 6.925 11.460 ( -0.297 1.029 0.000) 1.071 11.460 ( 0.297 1.029 0.000) 1.071 11.730 ( -0.210 -2.381 0.000) 2.391 11.730 ( 0.210 -2.381 0.000) 2.391 11.932 ( -4.990 -0.893 0.000) 5.069 11.932 ( 4.990 -0.893 0.000) 5.069 12.011 ( -4.628 -0.251 0.000) 4.635 12.011 ( 4.628 -0.251 0.000) 4.635 12.294 ( -4.550 -0.657 0.000) 4.597 12.294 ( 4.550 -0.657 0.000) 4.597 12.484 ( -0.523 0.972 0.000) 1.104 12.484 ( 0.523 0.972 0.000) 1.104 12.574 ( -2.107 1.570 0.000) 2.628 12.574 ( 2.107 1.570 0.000) 2.628 12.743 ( -3.377 0.282 0.000) 3.389 12.743 ( 3.377 0.282 0.000) 3.389 12.966 ( -0.204 -1.523 0.000) 1.536 12.966 ( 0.204 -1.523 0.000) 1.536 13.028 ( -2.748 -2.338 0.000) 3.608 13.028 ( 2.748 -2.338 0.000) 3.608 13.321 ( -13.184 2.860 0.000) 13.490 13.321 ( 13.184 2.860 0.000) 13.490 13.399 ( -0.163 1.600 0.000) 1.608 13.399 ( 0.163 1.600 0.000) 1.608 13.724 ( -0.606 -3.065 0.000) 3.124 13.724 ( 0.606 -3.065 0.000) 3.124 13.928 ( -7.008 -0.017 0.000) 7.008 13.928 ( 7.008 -0.017 0.000) 7.008 14.092 ( -8.284 0.168 0.000) 8.285 14.092 ( 8.284 0.168 0.000) 8.285 14.728 ( -11.953 4.963 0.000) 12.942 14.728 ( 11.953 4.963 0.000) 12.942 15.082 ( -0.497 1.310 0.000) 1.401 15.082 ( 0.497 1.310 0.000) 1.401 15.213 ( -2.918 -0.444 0.000) 2.952 15.213 ( 2.918 -0.444 0.000) 2.952 15.417 ( -17.307 -1.332 0.000) 17.358 15.417 ( 17.307 -1.332 0.000) 17.358 15.577 ( -10.137 -3.391 0.000) 10.689 15.577 ( 10.137 -3.391 0.000) 10.689 15.961 ( -0.227 0.698 0.000) 0.735 15.961 ( 0.227 0.698 0.000) 0.735 16.217 ( -8.914 2.080 0.000) 9.153 16.217 ( 8.914 2.080 0.000) 9.153 17.004 ( -0.699 -1.474 0.000) 1.631 17.004 ( 0.699 -1.474 0.000) 1.631 17.401 ( -5.272 0.531 0.000) 5.298 17.401 ( 5.272 0.531 0.000) 5.298 17.682 ( -5.485 4.250 0.000) 6.939 17.682 ( 5.485 4.250 0.000) 6.939 17.720 ( -2.374 0.098 0.000) 2.376 17.720 ( 2.374 0.098 0.000) 2.376 17.990 ( -3.007 2.383 0.000) 3.837 17.990 ( 3.007 2.383 0.000) 3.837 18.196 ( -0.122 -1.540 0.000) 1.545 18.196 ( 0.122 -1.540 0.000) 1.545 18.495 ( -7.555 -3.265 0.000) 8.230 18.495 ( 7.555 -3.265 0.000) 8.230 18.534 ( -13.993 2.296 0.000) 14.180 18.534 ( 13.993 2.296 0.000) 14.180 18.812 ( -0.000 0.055 0.000) 0.055 18.812 ( 0.000 0.055 0.000) 0.055 18.826 ( -0.000 0.615 0.000) 0.615 18.826 ( 0.000 0.615 0.000) 0.615 19.173 ( -2.993 -1.726 0.000) 3.455 19.173 ( 2.993 -1.726 0.000) 3.455 19.473 ( -0.792 -1.101 0.000) 1.356 19.473 ( 0.792 -1.101 0.000) 1.356 19.896 ( -5.865 0.644 0.000) 5.900 19.896 ( 5.865 0.644 0.000) 5.900 20.369 ( -0.966 1.544 0.000) 1.821 20.369 ( 0.966 1.544 0.000) 1.821 20.428 ( -8.262 1.655 0.000) 8.426 20.428 ( 8.262 1.655 0.000) 8.426 20.703 ( -7.114 -1.881 0.000) 7.359 20.703 ( 7.114 -1.881 0.000) 7.359 20.919 ( -0.159 -1.926 0.000) 1.932 20.919 ( 0.159 -1.926 0.000) 1.932 21.098 ( -2.498 -0.493 0.000) 2.547 21.098 ( 2.498 -0.493 0.000) 2.547 21.262 ( -10.326 1.598 0.000) 10.449 21.262 ( 10.326 1.598 0.000) 10.449 21.482 ( -5.186 -3.121 0.000) 6.053 21.482 ( 5.186 -3.121 0.000) 6.053 22.084 ( -0.078 2.257 0.000) 2.259 22.084 ( 0.078 2.257 0.000) 2.259 22.544 ( -0.006 -0.996 0.000) 0.996 22.544 ( 0.006 -0.996 0.000) 0.996 22.975 ( -4.410 1.860 0.000) 4.786 22.975 ( 4.410 1.860 0.000) 4.786 23.311 ( -11.664 2.459 0.000) 11.920 23.311 ( 11.664 2.459 0.000) 11.920 23.351 ( -3.248 -0.481 0.000) 3.283 23.351 ( 3.248 -0.481 0.000) 3.283 23.482 ( -9.175 -2.751 0.000) 9.578 23.482 ( 9.175 -2.751 0.000) 9.578 23.911 ( -4.986 2.910 0.000) 5.773 23.911 ( 4.986 2.910 0.000) 5.773 24.268 ( -7.973 -0.493 0.000) 7.988 24.268 ( 7.973 -0.493 0.000) 7.988 24.458 ( -7.009 -0.525 0.000) 7.029 24.458 ( 7.009 -0.525 0.000) 7.029 24.622 ( -2.429 2.984 0.000) 3.848 24.622 ( 2.429 2.984 0.000) 3.848 25.187 ( -18.488 1.442 0.000) 18.544 25.187 ( 18.488 1.442 0.000) 18.544 25.631 ( -0.001 -3.208 0.000) 3.208 25.631 ( 0.001 -3.208 0.000) 3.208 25.701 ( -1.666 -1.248 0.000) 2.082 25.701 ( 1.666 -1.248 0.000) 2.082 26.067 ( -4.222 0.031 0.000) 4.222 26.067 ( 4.222 0.031 0.000) 4.222 26.522 ( -25.149 -4.248 0.000) 25.505 26.522 ( 25.149 -4.248 0.000) 25.505 26.918 ( -29.865 -8.546 0.000) 31.064 26.918 ( 29.865 -8.546 0.000) 31.064 26.978 ( -25.345 -9.850 0.000) 27.192 26.978 ( 25.345 -9.850 0.000) 27.192 27.611 ( -21.312 -4.196 0.000) 21.722 27.611 ( 21.312 -4.196 0.000) 21.722 27.811 ( -0.198 -1.600 0.000) 1.612 27.811 ( 0.198 -1.600 0.000) 1.612 28.493 ( -2.355 -1.490 0.000) 2.787 28.493 ( 2.355 -1.490 0.000) 2.787 28.646 ( -0.526 -4.628 0.000) 4.658 28.646 ( 0.526 -4.628 0.000) 4.658 29.233 ( -15.456 -0.983 0.000) 15.487 29.233 ( 15.456 -0.983 0.000) 15.487 29.613 ( -7.280 -4.975 0.000) 8.817 29.613 ( 7.280 -4.975 0.000) 8.817 29.794 ( -0.097 -2.870 0.000) 2.872 29.794 ( 0.097 -2.870 0.000) 2.872 30.319 ( -7.092 -1.003 0.000) 7.162 30.319 ( 7.092 -1.003 0.000) 7.162 30.725 ( -9.637 -0.816 0.000) 9.671 30.725 ( 9.637 -0.816 0.000) 9.671 30.821 ( -2.056 -0.392 0.000) 2.093 30.821 ( 2.056 -0.392 0.000) 2.093 31.026 ( -7.793 -6.411 0.000) 10.091 31.026 ( 7.793 -6.411 0.000) 10.091 31.154 ( -1.889 -5.618 0.000) 5.927 31.154 ( 1.889 -5.618 0.000) 5.927 31.607 ( -3.160 -3.816 0.000) 4.955 31.607 ( 3.160 -3.816 0.000) 4.955 31.674 ( -0.377 -1.934 0.000) 1.971 31.674 ( 0.377 -1.934 0.000) 1.971 32.129 ( -0.058 -9.417 0.000) 9.417 32.129 ( 0.058 -9.417 0.000) 9.417 32.235 ( -2.186 -4.541 0.000) 5.040 32.235 ( 2.186 -4.541 0.000) 5.040 32.723 ( -11.897 -3.272 0.000) 12.339 32.723 ( 11.897 -3.272 0.000) 12.339 33.161 ( -3.327 -2.061 0.000) 3.914 33.161 ( 3.327 -2.061 0.000) 3.914 34.047 ( -0.136 1.350 0.000) 1.357 34.047 ( 0.136 1.350 0.000) 1.357 34.349 ( -0.055 -4.682 0.000) 4.682 34.349 ( 0.055 -4.682 0.000) 4.682 36.374 ( -49.002 -11.456 0.000) 50.323 36.374 ( 49.002 -11.456 0.000) 50.323 ======================= Grid point 20 (13/54) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.001 ( 0.000 15.031 0.000) 15.031 2.040 ( 0.000 16.975 0.000) 16.975 2.261 ( 0.000 -4.553 0.000) 4.553 2.529 ( 0.000 12.786 0.000) 12.786 2.745 ( 0.000 4.529 0.000) 4.529 2.787 ( 0.000 3.704 0.000) 3.704 2.900 ( 0.000 11.465 0.000) 11.465 2.906 ( 0.000 1.076 0.000) 1.076 2.984 ( 0.000 -5.102 0.000) 5.102 2.996 ( 0.000 0.496 0.000) 0.496 3.060 ( 0.000 -5.731 0.000) 5.731 3.115 ( 0.000 16.686 0.000) 16.686 3.154 ( 0.000 2.960 0.000) 2.960 3.223 ( 0.000 -1.748 0.000) 1.748 3.239 ( 0.000 2.684 0.000) 2.684 3.339 ( 0.000 3.765 0.000) 3.765 3.375 ( 0.000 8.282 0.000) 8.282 3.413 ( 0.000 1.567 0.000) 1.567 3.462 ( 0.000 -1.207 0.000) 1.207 3.464 ( 0.000 -0.813 0.000) 0.813 3.571 ( 0.000 0.706 0.000) 0.706 3.579 ( 0.000 -3.788 0.000) 3.788 3.844 ( 0.000 16.911 0.000) 16.911 3.859 ( 0.000 -0.989 0.000) 0.989 3.978 ( 0.000 -11.055 0.000) 11.055 4.081 ( 0.000 -8.485 0.000) 8.485 4.098 ( 0.000 7.928 0.000) 7.928 4.200 ( 0.000 -3.398 0.000) 3.398 4.338 ( 0.000 1.760 0.000) 1.760 4.544 ( 0.000 -8.204 0.000) 8.204 4.588 ( 0.000 -1.156 0.000) 1.156 4.867 ( 0.000 -6.199 0.000) 6.199 4.923 ( 0.000 1.716 0.000) 1.716 5.082 ( 0.000 -2.548 0.000) 2.548 5.691 ( 0.000 -0.335 0.000) 0.335 5.758 ( 0.000 -2.622 0.000) 2.622 5.867 ( 0.000 0.813 0.000) 0.813 6.122 ( 0.000 -4.071 0.000) 4.071 6.171 ( 0.000 -0.952 0.000) 0.952 6.352 ( 0.000 -4.102 0.000) 4.102 6.447 ( 0.000 -3.546 0.000) 3.546 6.529 ( 0.000 -9.327 0.000) 9.327 6.546 ( 0.000 1.732 0.000) 1.732 6.667 ( 0.000 -1.537 0.000) 1.537 7.061 ( 0.000 -2.635 0.000) 2.635 7.126 ( 0.000 -4.144 0.000) 4.144 7.480 ( 0.000 4.053 0.000) 4.053 7.569 ( 0.000 -5.278 0.000) 5.278 7.609 ( 0.000 -5.341 0.000) 5.341 7.622 ( 0.000 -2.269 0.000) 2.269 7.950 ( 0.000 -0.353 0.000) 0.353 7.994 ( 0.000 -1.306 0.000) 1.306 8.239 ( 0.000 -3.945 0.000) 3.945 8.247 ( 0.000 -0.100 0.000) 0.100 8.339 ( 0.000 -22.774 0.000) 22.774 8.482 ( 0.000 3.339 0.000) 3.339 8.527 ( 0.000 -2.568 0.000) 2.568 8.812 ( 0.000 0.074 0.000) 0.074 8.834 ( 0.000 1.097 0.000) 1.097 8.963 ( 0.000 3.349 0.000) 3.349 8.982 ( 0.000 -0.201 0.000) 0.201 9.220 ( 0.000 1.994 0.000) 1.994 9.276 ( 0.000 -1.471 0.000) 1.471 9.583 ( 0.000 -2.299 0.000) 2.299 9.696 ( 0.000 -2.304 0.000) 2.304 9.901 ( 0.000 -0.112 0.000) 0.112 9.918 ( 0.000 -0.250 0.000) 0.250 10.033 ( 0.000 -1.868 0.000) 1.868 10.052 ( 0.000 5.898 0.000) 5.898 10.176 ( 0.000 0.824 0.000) 0.824 10.273 ( 0.000 -4.707 0.000) 4.707 10.362 ( 0.000 -3.493 0.000) 3.493 10.430 ( 0.000 -1.215 0.000) 1.215 10.579 ( 0.000 -1.569 0.000) 1.569 10.720 ( 0.000 -3.762 0.000) 3.762 10.880 ( 0.000 -6.360 0.000) 6.360 10.996 ( 0.000 -2.728 0.000) 2.728 11.114 ( 0.000 -1.074 0.000) 1.074 11.168 ( 0.000 -4.884 0.000) 4.884 11.169 ( 0.000 0.078 0.000) 0.078 11.261 ( 0.000 -0.224 0.000) 0.224 11.298 ( 0.000 -0.394 0.000) 0.394 11.437 ( 0.000 0.746 0.000) 0.746 11.522 ( 0.000 0.302 0.000) 0.302 11.531 ( 0.000 -2.495 0.000) 2.495 11.941 ( 0.000 -0.945 0.000) 0.945 12.017 ( 0.000 -1.314 0.000) 1.314 12.161 ( 0.000 0.603 0.000) 0.603 12.222 ( 0.000 -0.960 0.000) 0.960 12.357 ( 0.000 0.306 0.000) 0.306 12.398 ( 0.000 0.812 0.000) 0.812 12.403 ( 0.000 1.527 0.000) 1.527 12.426 ( 0.000 1.045 0.000) 1.045 12.718 ( 0.000 -1.602 0.000) 1.602 12.773 ( 0.000 -1.285 0.000) 1.285 12.795 ( 0.000 1.489 0.000) 1.489 12.896 ( 0.000 0.827 0.000) 0.827 12.924 ( 0.000 -6.788 0.000) 6.788 12.959 ( 0.000 3.654 0.000) 3.654 13.096 ( 0.000 -0.883 0.000) 0.883 13.108 ( 0.000 0.109 0.000) 0.109 13.308 ( 0.000 -5.468 0.000) 5.468 13.322 ( 0.000 -0.651 0.000) 0.651 13.507 ( 0.000 -2.328 0.000) 2.328 13.549 ( 0.000 -2.350 0.000) 2.350 13.701 ( 0.000 2.734 0.000) 2.734 13.744 ( 0.000 2.846 0.000) 2.846 13.841 ( 0.000 -1.036 0.000) 1.036 14.041 ( 0.000 0.735 0.000) 0.735 14.285 ( 0.000 3.870 0.000) 3.870 14.305 ( 0.000 0.555 0.000) 0.555 14.675 ( 0.000 0.231 0.000) 0.231 14.743 ( 0.000 0.541 0.000) 0.541 15.038 ( 0.000 5.685 0.000) 5.685 15.397 ( 0.000 -3.066 0.000) 3.066 15.488 ( 0.000 0.385 0.000) 0.385 15.524 ( 0.000 -5.872 0.000) 5.872 15.757 ( 0.000 -1.629 0.000) 1.629 15.806 ( 0.000 5.425 0.000) 5.425 15.863 ( 0.000 0.130 0.000) 0.130 16.030 ( 0.000 4.766 0.000) 4.766 16.031 ( 0.000 -1.267 0.000) 1.267 16.528 ( 0.000 -0.749 0.000) 0.749 16.605 ( 0.000 -2.548 0.000) 2.548 16.672 ( 0.000 1.812 0.000) 1.812 17.010 ( 0.000 0.580 0.000) 0.580 17.279 ( 0.000 1.748 0.000) 1.748 17.389 ( 0.000 1.061 0.000) 1.061 17.524 ( 0.000 4.557 0.000) 4.557 17.586 ( 0.000 -0.134 0.000) 0.134 17.594 ( 0.000 1.641 0.000) 1.641 17.751 ( 0.000 -1.052 0.000) 1.052 17.926 ( 0.000 -0.360 0.000) 0.360 18.118 ( 0.000 -0.305 0.000) 0.305 18.125 ( 0.000 -0.095 0.000) 0.095 18.218 ( 0.000 -0.818 0.000) 0.818 18.416 ( 0.000 -0.382 0.000) 0.382 18.444 ( 0.000 1.218 0.000) 1.218 18.635 ( 0.000 0.018 0.000) 0.018 18.767 ( 0.000 2.098 0.000) 2.098 18.814 ( 0.000 -0.199 0.000) 0.199 18.825 ( 0.000 -0.568 0.000) 0.568 18.865 ( 0.000 -0.257 0.000) 0.257 18.909 ( 0.000 -0.143 0.000) 0.143 19.164 ( 0.000 0.454 0.000) 0.454 19.206 ( 0.000 -1.938 0.000) 1.938 19.375 ( 0.000 -0.053 0.000) 0.053 19.425 ( 0.000 -0.416 0.000) 0.416 19.460 ( 0.000 -0.219 0.000) 0.219 19.789 ( 0.000 1.576 0.000) 1.576 19.900 ( 0.000 0.608 0.000) 0.608 20.054 ( 0.000 -0.224 0.000) 0.224 20.473 ( 0.000 0.258 0.000) 0.258 20.818 ( 0.000 -2.935 0.000) 2.935 20.832 ( 0.000 3.553 0.000) 3.553 20.922 ( 0.000 0.163 0.000) 0.163 20.973 ( 0.000 -1.288 0.000) 1.288 21.013 ( 0.000 1.279 0.000) 1.279 21.081 ( 0.000 0.975 0.000) 0.975 21.139 ( 0.000 -1.352 0.000) 1.352 21.253 ( 0.000 0.786 0.000) 0.786 21.291 ( 0.000 -2.056 0.000) 2.056 21.432 ( 0.000 -1.589 0.000) 1.589 21.566 ( 0.000 1.589 0.000) 1.589 22.076 ( 0.000 -0.630 0.000) 0.630 22.360 ( 0.000 -2.842 0.000) 2.842 22.531 ( 0.000 1.468 0.000) 1.468 22.667 ( 0.000 0.406 0.000) 0.406 22.782 ( 0.000 1.753 0.000) 1.753 22.864 ( 0.000 2.104 0.000) 2.104 23.125 ( 0.000 1.607 0.000) 1.607 23.137 ( 0.000 -1.980 0.000) 1.980 23.176 ( 0.000 -1.187 0.000) 1.187 23.381 ( 0.000 1.544 0.000) 1.544 23.670 ( 0.000 2.213 0.000) 2.213 23.891 ( 0.000 1.866 0.000) 1.866 24.003 ( 0.000 0.698 0.000) 0.698 24.221 ( 0.000 0.244 0.000) 0.244 24.225 ( 0.000 0.393 0.000) 0.393 24.260 ( 0.000 4.705 0.000) 4.705 24.425 ( 0.000 1.902 0.000) 1.902 24.539 ( 0.000 -0.484 0.000) 0.484 24.748 ( 0.000 0.255 0.000) 0.255 24.908 ( 0.000 3.097 0.000) 3.097 24.925 ( 0.000 0.005 0.000) 0.005 25.003 ( 0.000 0.026 0.000) 0.026 25.135 ( 0.000 -2.793 0.000) 2.793 25.150 ( 0.000 0.560 0.000) 0.560 25.304 ( 0.000 -4.524 0.000) 4.524 25.870 ( 0.000 0.209 0.000) 0.209 25.919 ( 0.000 1.717 0.000) 1.717 26.029 ( 0.000 -2.330 0.000) 2.330 26.299 ( 0.000 -1.125 0.000) 1.125 26.377 ( 0.000 1.336 0.000) 1.336 26.462 ( 0.000 -0.822 0.000) 0.822 26.700 ( 0.000 0.032 0.000) 0.032 26.897 ( 0.000 0.058 0.000) 0.058 27.707 ( 0.000 -0.348 0.000) 0.348 27.794 ( 0.000 -0.088 0.000) 0.088 27.872 ( 0.000 -6.783 0.000) 6.783 28.120 ( 0.000 -2.640 0.000) 2.640 28.272 ( 0.000 -7.474 0.000) 7.474 28.329 ( 0.000 -5.996 0.000) 5.996 28.357 ( 0.000 0.095 0.000) 0.095 28.788 ( 0.000 -0.479 0.000) 0.479 28.852 ( 0.000 -7.719 0.000) 7.719 28.908 ( 0.000 -3.939 0.000) 3.939 28.930 ( 0.000 -1.173 0.000) 1.173 29.171 ( 0.000 -0.606 0.000) 0.606 29.572 ( 0.000 -0.281 0.000) 0.281 29.701 ( 0.000 -2.510 0.000) 2.510 30.063 ( 0.000 -0.135 0.000) 0.135 30.174 ( 0.000 -4.337 0.000) 4.337 30.284 ( 0.000 -1.191 0.000) 1.191 30.396 ( 0.000 -0.723 0.000) 0.723 30.765 ( 0.000 -2.600 0.000) 2.600 30.779 ( 0.000 -5.107 0.000) 5.107 30.831 ( 0.000 -0.260 0.000) 0.260 30.892 ( 0.000 -3.587 0.000) 3.587 30.905 ( 0.000 -1.159 0.000) 1.159 31.032 ( 0.000 0.399 0.000) 0.399 31.167 ( 0.000 -2.605 0.000) 2.605 31.374 ( 0.000 -4.700 0.000) 4.700 31.492 ( 0.000 -0.260 0.000) 0.260 31.574 ( 0.000 -4.992 0.000) 4.992 31.870 ( 0.000 -1.586 0.000) 1.586 31.970 ( 0.000 -3.136 0.000) 3.136 32.033 ( 0.000 -4.961 0.000) 4.961 32.223 ( 0.000 -2.765 0.000) 2.765 32.380 ( 0.000 -4.963 0.000) 4.963 32.496 ( 0.000 -1.559 0.000) 1.559 32.605 ( 0.000 -2.908 0.000) 2.908 33.260 ( 0.000 -1.115 0.000) 1.115 33.557 ( 0.000 -5.336 0.000) 5.336 33.728 ( 0.000 -1.621 0.000) 1.621 33.818 ( 0.000 -2.915 0.000) 2.915 33.986 ( 0.000 -2.918 0.000) 2.918 34.397 ( 0.000 -7.487 0.000) 7.487 35.225 ( 0.000 -2.074 0.000) 2.074 37.008 ( 0.000 -29.616 0.000) 29.616 ======================= Grid point 21 (14/54) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 7.564 13.906 0.000) 15.830 2.186 ( 10.453 10.575 0.000) 14.869 2.321 ( 5.240 -4.232 0.000) 6.736 2.535 ( 0.593 12.854 0.000) 12.868 2.599 ( -11.254 12.408 0.000) 16.752 2.730 ( -6.867 -0.303 0.000) 6.874 2.923 ( 1.894 -1.680 0.000) 2.531 2.962 ( 3.242 2.737 0.000) 4.242 3.004 ( 1.562 -3.281 0.000) 3.634 3.027 ( -0.193 2.158 0.000) 2.166 3.078 ( 8.971 4.886 0.000) 10.215 3.107 ( -2.447 2.256 0.000) 3.329 3.148 ( -2.536 3.261 0.000) 4.131 3.219 ( 1.191 0.950 0.000) 1.524 3.279 ( -0.785 0.436 0.000) 0.898 3.305 ( 0.294 5.741 0.000) 5.748 3.370 ( 1.745 7.950 0.000) 8.139 3.442 ( -1.818 1.409 0.000) 2.300 3.466 ( 3.917 4.447 0.000) 5.926 3.514 ( 4.952 3.262 0.000) 5.930 3.545 ( -1.979 2.052 0.000) 2.850 3.665 ( 5.590 -2.281 0.000) 6.038 3.815 ( 1.290 0.799 0.000) 1.517 3.965 ( 5.639 -2.165 0.000) 6.040 4.030 ( -7.050 4.355 0.000) 8.286 4.032 ( 5.225 3.688 0.000) 6.395 4.111 ( 2.703 -7.503 0.000) 7.975 4.205 ( -0.015 -4.719 0.000) 4.719 4.294 ( -5.305 6.026 0.000) 8.028 4.414 ( -14.388 -0.862 0.000) 14.414 4.551 ( 1.431 -5.904 0.000) 6.075 4.681 ( -7.399 0.151 0.000) 7.400 5.135 ( 12.019 -5.583 0.000) 13.252 5.159 ( 5.995 -3.425 0.000) 6.904 5.552 ( -11.654 -0.621 0.000) 11.671 5.636 ( -10.467 -3.758 0.000) 11.121 6.106 ( 16.714 0.813 0.000) 16.734 6.207 ( 3.535 -0.962 0.000) 3.664 6.264 ( 0.825 -2.859 0.000) 2.976 6.277 ( 10.821 -3.692 0.000) 11.434 6.400 ( -1.599 -2.306 0.000) 2.806 6.527 ( 6.680 -5.989 0.000) 8.972 6.818 ( 16.616 -0.454 0.000) 16.623 6.897 ( -16.168 -4.731 0.000) 16.846 6.915 ( 17.482 -2.362 0.000) 17.641 7.117 ( 4.204 -3.844 0.000) 5.696 7.329 ( -7.116 -2.723 0.000) 7.619 7.508 ( -4.827 -4.740 0.000) 6.766 7.665 ( 5.527 -3.348 0.000) 6.462 7.733 ( -17.604 1.729 0.000) 17.689 7.824 ( 8.514 1.515 0.000) 8.648 7.959 ( 0.111 -1.197 0.000) 1.202 8.124 ( -8.804 -17.786 0.000) 19.845 8.180 ( -9.444 -4.593 0.000) 10.501 8.408 ( 0.261 -2.163 0.000) 2.178 8.474 ( -0.182 0.511 0.000) 0.542 8.494 ( 2.079 -2.385 0.000) 3.164 8.759 ( -26.605 -1.438 0.000) 26.644 8.829 ( -0.954 1.632 0.000) 1.890 8.868 ( 2.619 0.193 0.000) 2.626 9.135 ( 16.072 2.586 0.000) 16.278 9.264 ( 12.891 -2.314 0.000) 13.097 9.314 ( -38.959 -1.997 0.000) 39.010 9.409 ( -8.242 -1.221 0.000) 8.332 9.676 ( -0.428 -2.089 0.000) 2.132 9.696 ( 12.277 -0.058 0.000) 12.278 9.731 ( -5.480 1.478 0.000) 5.675 9.913 ( -9.548 4.981 0.000) 10.769 10.082 ( -4.132 -3.017 0.000) 5.116 10.120 ( 7.035 -0.952 0.000) 7.099 10.220 ( -1.224 -3.608 0.000) 3.810 10.261 ( 9.063 1.149 0.000) 9.136 10.499 ( 0.251 -0.218 0.000) 0.332 10.711 ( -16.633 -1.680 0.000) 16.718 10.774 ( 2.354 -2.273 0.000) 3.272 10.938 ( -15.800 -4.109 0.000) 16.325 10.944 ( 3.551 -6.236 0.000) 7.176 10.994 ( 0.829 -3.657 0.000) 3.750 11.010 ( -16.532 -0.765 0.000) 16.550 11.177 ( -5.315 -2.040 0.000) 5.693 11.304 ( 24.841 -0.945 0.000) 24.859 11.438 ( 4.174 1.282 0.000) 4.366 11.474 ( 12.914 -1.830 0.000) 13.043 11.653 ( 6.376 -0.728 0.000) 6.417 11.722 ( 10.111 -0.947 0.000) 10.155 11.921 ( -0.567 -0.445 0.000) 0.721 12.051 ( -4.775 1.977 0.000) 5.168 12.115 ( 2.783 -0.774 0.000) 2.888 12.302 ( -1.298 -0.410 0.000) 1.361 12.327 ( 1.127 -4.653 0.000) 4.788 12.446 ( 4.836 1.671 0.000) 5.116 12.460 ( 2.763 -0.085 0.000) 2.765 12.530 ( -10.430 -0.154 0.000) 10.431 12.624 ( 12.641 4.045 0.000) 13.273 12.773 ( -2.283 1.533 0.000) 2.750 12.791 ( -3.941 1.399 0.000) 4.182 12.875 ( 3.638 -5.142 0.000) 6.299 12.943 ( -2.785 -2.402 0.000) 3.678 12.947 ( 9.199 -0.333 0.000) 9.205 13.035 ( -11.568 -1.033 0.000) 11.614 13.243 ( -1.912 2.572 0.000) 3.205 13.248 ( 7.106 -3.352 0.000) 7.857 13.405 ( 7.400 0.471 0.000) 7.415 13.505 ( 4.024 0.027 0.000) 4.024 13.549 ( 3.084 -3.565 0.000) 4.713 13.721 ( 8.629 -1.123 0.000) 8.702 13.744 ( -4.793 0.676 0.000) 4.841 13.905 ( 8.424 2.249 0.000) 8.719 14.157 ( -10.031 0.569 0.000) 10.047 14.264 ( -5.001 3.408 0.000) 6.052 14.468 ( 24.332 2.087 0.000) 24.421 14.766 ( 10.179 -1.801 0.000) 10.337 14.874 ( 14.183 0.410 0.000) 14.189 15.001 ( -3.218 4.603 0.000) 5.616 15.243 ( -8.681 -2.467 0.000) 9.025 15.280 ( -11.169 -1.073 0.000) 11.221 15.457 ( -7.244 -4.692 0.000) 8.631 15.613 ( -17.191 4.948 0.000) 17.889 15.840 ( -8.305 -0.525 0.000) 8.322 15.897 ( -13.484 3.151 0.000) 13.847 15.937 ( 5.708 0.934 0.000) 5.784 16.027 ( 7.802 -1.694 0.000) 7.984 16.146 ( -23.923 -2.405 0.000) 24.043 16.545 ( -22.571 1.442 0.000) 22.617 16.787 ( 17.102 -1.589 0.000) 17.176 16.927 ( 7.327 1.058 0.000) 7.403 17.353 ( -0.647 1.237 0.000) 1.396 17.510 ( 0.079 0.285 0.000) 0.296 17.568 ( 6.259 4.754 0.000) 7.860 17.642 ( 1.433 -1.942 0.000) 2.413 17.668 ( 7.087 0.223 0.000) 7.091 17.831 ( 6.571 0.470 0.000) 6.588 17.951 ( 3.830 2.300 0.000) 4.468 18.176 ( 2.467 -1.165 0.000) 2.728 18.198 ( -1.624 -0.843 0.000) 1.830 18.210 ( 7.686 0.564 0.000) 7.707 18.237 ( -9.908 1.611 0.000) 10.038 18.354 ( -3.199 -1.114 0.000) 3.387 18.653 ( -6.282 -0.707 0.000) 6.321 18.724 ( -1.297 2.125 0.000) 2.489 18.798 ( 1.793 0.315 0.000) 1.821 18.819 ( 0.120 -0.051 0.000) 0.130 18.874 ( -0.811 0.760 0.000) 1.111 18.973 ( -13.878 -0.218 0.000) 13.880 18.991 ( 7.040 -0.896 0.000) 7.097 19.224 ( -0.561 -1.730 0.000) 1.818 19.402 ( 2.197 -0.719 0.000) 2.312 19.451 ( 1.502 -0.951 0.000) 1.777 19.665 ( 15.438 0.596 0.000) 15.450 19.861 ( 6.167 0.727 0.000) 6.210 20.113 ( 18.387 0.977 0.000) 18.413 20.210 ( 12.204 0.434 0.000) 12.212 20.455 ( -1.812 0.411 0.000) 1.858 20.672 ( -9.298 -1.473 0.000) 9.414 20.702 ( -11.306 2.967 0.000) 11.689 20.885 ( -1.158 -0.794 0.000) 1.403 20.889 ( -6.616 -2.153 0.000) 6.957 20.993 ( -1.526 0.740 0.000) 1.696 21.034 ( -5.238 -0.134 0.000) 5.240 21.143 ( 2.812 1.123 0.000) 3.028 21.252 ( -12.383 -0.945 0.000) 12.419 21.338 ( 3.019 -1.685 0.000) 3.457 21.397 ( 7.384 -1.791 0.000) 7.599 21.524 ( -5.835 0.937 0.000) 5.910 22.291 ( -13.163 2.002 0.000) 13.314 22.298 ( 12.288 0.391 0.000) 12.294 22.371 ( -15.171 0.485 0.000) 15.179 22.400 ( 4.428 -1.414 0.000) 4.648 22.943 ( 5.217 1.522 0.000) 5.434 23.031 ( 17.288 1.683 0.000) 17.370 23.176 ( -2.113 -0.267 0.000) 2.129 23.248 ( 5.925 -0.698 0.000) 5.966 23.273 ( 5.033 0.493 0.000) 5.057 23.310 ( 1.240 0.408 0.000) 1.305 23.587 ( -8.086 2.072 0.000) 8.347 23.737 ( -17.364 -0.244 0.000) 17.365 23.908 ( 0.408 1.855 0.000) 1.899 24.136 ( -9.544 3.699 0.000) 10.236 24.203 ( -0.513 0.233 0.000) 0.563 24.295 ( 6.547 0.194 0.000) 6.550 24.510 ( -16.397 -0.482 0.000) 16.404 24.526 ( 7.256 2.061 0.000) 7.543 24.669 ( -6.998 0.171 0.000) 7.000 24.799 ( -6.256 2.680 0.000) 6.806 24.844 ( 13.712 -0.116 0.000) 13.713 25.301 ( 23.162 -1.577 0.000) 23.216 25.354 ( 19.776 -0.113 0.000) 19.776 25.354 ( 13.906 -2.131 0.000) 14.068 25.594 ( -15.383 1.881 0.000) 15.498 25.785 ( 27.779 -3.929 0.000) 28.056 25.846 ( -2.879 0.270 0.000) 2.892 26.013 ( 0.558 -1.813 0.000) 1.897 26.266 ( -10.220 0.873 0.000) 10.258 26.283 ( 2.674 -1.447 0.000) 3.040 26.702 ( -0.936 -0.135 0.000) 0.946 26.888 ( 3.054 -0.038 0.000) 3.054 26.918 ( 28.860 -1.355 0.000) 28.891 27.411 ( -34.301 -3.350 0.000) 34.464 27.637 ( -36.958 -7.763 0.000) 37.764 27.793 ( -0.080 -0.085 0.000) 0.117 27.814 ( -10.830 -3.453 0.000) 11.367 27.890 ( -6.868 -6.661 0.000) 9.567 28.404 ( 4.400 0.164 0.000) 4.403 28.591 ( -14.471 -2.313 0.000) 14.654 28.669 ( -0.272 -1.428 0.000) 1.454 28.703 ( -12.741 -4.009 0.000) 13.357 28.846 ( 17.930 -1.376 0.000) 17.983 29.221 ( 16.458 -3.273 0.000) 16.780 29.391 ( 13.604 -1.235 0.000) 13.660 29.477 ( -8.689 -0.423 0.000) 8.700 29.794 ( 2.876 -2.827 0.000) 4.032 29.980 ( -16.195 -4.053 0.000) 16.695 30.149 ( 7.670 -0.101 0.000) 7.670 30.384 ( -1.898 -0.961 0.000) 2.128 30.425 ( 14.129 -1.070 0.000) 14.170 30.765 ( 0.652 -1.747 0.000) 1.865 30.809 ( 2.367 -2.051 0.000) 3.132 30.831 ( -4.604 -1.082 0.000) 4.730 30.886 ( -1.911 -1.767 0.000) 2.603 30.891 ( 6.653 -4.969 0.000) 8.304 31.086 ( -3.772 -2.138 0.000) 4.336 31.174 ( 1.952 -1.029 0.000) 2.207 31.435 ( -3.741 -3.632 0.000) 5.214 31.476 ( 8.614 -3.515 0.000) 9.304 31.578 ( 4.340 -2.027 0.000) 4.790 31.796 ( -7.781 -1.161 0.000) 7.867 32.001 ( -2.983 -5.508 0.000) 6.264 32.036 ( 2.975 -2.943 0.000) 4.185 32.109 ( -6.627 -5.394 0.000) 8.544 32.283 ( -9.660 -3.004 0.000) 10.116 32.464 ( 6.922 -3.164 0.000) 7.611 32.849 ( 11.130 -1.286 0.000) 11.204 33.113 ( -22.692 -4.228 0.000) 23.083 33.228 ( -3.459 -1.504 0.000) 3.772 33.856 ( 11.225 -1.533 0.000) 11.329 33.983 ( 5.005 -0.493 0.000) 5.029 34.191 ( 9.677 -6.910 0.000) 11.891 34.332 ( -5.975 -6.878 0.000) 9.111 35.436 ( 23.405 -5.349 0.000) 24.008 36.739 ( -25.939 -25.004 0.000) 36.028 ======================= Grid point 22 (15/54) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -2.381 9.490 0.000) 9.784 2.263 ( 2.381 9.490 0.000) 9.784 2.404 ( -2.152 5.702 0.000) 6.095 2.404 ( 2.152 5.702 0.000) 6.095 2.587 ( -4.232 5.580 0.000) 7.003 2.587 ( 4.232 5.580 0.000) 7.003 2.977 ( -0.535 -2.078 0.000) 2.146 2.977 ( 0.535 -2.078 0.000) 2.146 3.024 ( -0.006 -1.013 0.000) 1.013 3.024 ( 0.006 -1.013 0.000) 1.013 3.083 ( -0.002 3.199 0.000) 3.199 3.083 ( 0.002 3.199 0.000) 3.199 3.242 ( -1.446 0.878 0.000) 1.692 3.242 ( 1.446 0.878 0.000) 1.692 3.275 ( -4.361 2.386 0.000) 4.971 3.275 ( 4.361 2.386 0.000) 4.971 3.403 ( -1.768 7.851 0.000) 8.048 3.403 ( 1.768 7.851 0.000) 8.048 3.517 ( -0.217 3.066 0.000) 3.073 3.517 ( 0.217 3.066 0.000) 3.073 3.678 ( -4.278 5.278 0.000) 6.794 3.678 ( 4.278 5.278 0.000) 6.794 3.866 ( -4.159 -2.369 0.000) 4.787 3.866 ( 4.159 -2.369 0.000) 4.787 4.115 ( -6.242 -5.464 0.000) 8.295 4.115 ( 6.242 -5.464 0.000) 8.295 4.162 ( -5.644 9.581 0.000) 11.120 4.162 ( 5.644 9.581 0.000) 11.120 4.184 ( -0.622 -3.571 0.000) 3.625 4.184 ( 0.622 -3.571 0.000) 3.625 4.598 ( -1.870 -1.641 0.000) 2.488 4.598 ( 1.870 -1.641 0.000) 2.488 5.315 ( -6.697 -2.136 0.000) 7.030 5.315 ( 6.697 -2.136 0.000) 7.030 5.388 ( -10.247 -5.810 0.000) 11.779 5.388 ( 10.247 -5.810 0.000) 11.779 6.275 ( -2.536 -2.031 0.000) 3.250 6.275 ( 2.536 -2.031 0.000) 3.250 6.319 ( -2.846 -1.819 0.000) 3.377 6.319 ( 2.846 -1.819 0.000) 3.377 6.484 ( -9.595 -1.222 0.000) 9.673 6.484 ( 9.595 -1.222 0.000) 9.673 7.067 ( -3.786 -6.198 0.000) 7.263 7.067 ( 3.786 -6.198 0.000) 7.263 7.141 ( -9.174 -2.401 0.000) 9.483 7.141 ( 9.174 -2.401 0.000) 9.483 7.378 ( -6.408 -1.247 0.000) 6.528 7.378 ( 6.408 -1.247 0.000) 6.528 7.487 ( -9.493 -3.222 0.000) 10.025 7.487 ( 9.493 -3.222 0.000) 10.025 7.891 ( -4.858 -1.111 0.000) 4.983 7.891 ( 4.858 -1.111 0.000) 4.983 8.027 ( -0.065 -9.008 0.000) 9.009 8.027 ( 0.065 -9.008 0.000) 9.009 8.430 ( -2.003 -2.871 0.000) 3.500 8.430 ( 2.003 -2.871 0.000) 3.500 8.505 ( -0.358 -2.304 0.000) 2.332 8.505 ( 0.358 -2.304 0.000) 2.332 8.862 ( -1.669 2.613 0.000) 3.100 8.862 ( 1.669 2.613 0.000) 3.100 9.011 ( -6.634 -0.460 0.000) 6.650 9.011 ( 6.634 -0.460 0.000) 6.650 9.504 ( -8.935 0.021 0.000) 8.935 9.504 ( 8.935 0.021 0.000) 8.935 9.669 ( -3.670 0.872 0.000) 3.772 9.669 ( 3.670 0.872 0.000) 3.772 9.808 ( -8.633 -0.575 0.000) 8.652 9.808 ( 8.633 -0.575 0.000) 8.652 10.038 ( -3.831 0.188 0.000) 3.836 10.038 ( 3.831 0.188 0.000) 3.836 10.382 ( -5.878 -1.451 0.000) 6.054 10.382 ( 5.878 -1.451 0.000) 6.054 10.577 ( -11.237 -0.564 0.000) 11.251 10.577 ( 11.237 -0.564 0.000) 11.251 10.628 ( -9.822 -2.343 0.000) 10.098 10.628 ( 9.822 -2.343 0.000) 10.098 10.939 ( -0.241 -5.669 0.000) 5.674 10.939 ( 0.241 -5.669 0.000) 5.674 11.082 ( -3.751 -3.577 0.000) 5.183 11.082 ( 3.751 -3.577 0.000) 5.183 11.488 ( -0.105 1.589 0.000) 1.592 11.488 ( 0.105 1.589 0.000) 1.592 11.694 ( -2.677 -1.483 0.000) 3.061 11.694 ( 2.677 -1.483 0.000) 3.061 11.930 ( -5.761 0.744 0.000) 5.809 11.930 ( 5.761 0.744 0.000) 5.809 12.003 ( -1.481 -0.395 0.000) 1.533 12.003 ( 1.481 -0.395 0.000) 1.533 12.265 ( -0.839 -2.290 0.000) 2.439 12.265 ( 0.839 -2.290 0.000) 2.439 12.489 ( -0.353 -0.382 0.000) 0.520 12.489 ( 0.353 -0.382 0.000) 0.520 12.605 ( -6.288 1.749 0.000) 6.526 12.605 ( 6.288 1.749 0.000) 6.526 12.746 ( -0.892 0.168 0.000) 0.908 12.746 ( 0.892 0.168 0.000) 0.908 12.907 ( -0.004 -3.288 0.000) 3.288 12.907 ( 0.004 -3.288 0.000) 3.288 13.027 ( -12.623 0.922 0.000) 12.657 13.027 ( 12.623 0.922 0.000) 12.657 13.376 ( -18.927 2.253 0.000) 19.061 13.376 ( 18.927 2.253 0.000) 19.061 13.423 ( -2.620 0.747 0.000) 2.724 13.423 ( 2.620 0.747 0.000) 2.724 13.646 ( -0.663 -3.793 0.000) 3.850 13.646 ( 0.663 -3.793 0.000) 3.850 13.930 ( -8.992 0.120 0.000) 8.993 13.930 ( 8.992 0.120 0.000) 8.993 14.116 ( -9.791 1.655 0.000) 9.930 14.116 ( 9.791 1.655 0.000) 9.930 14.820 ( -11.217 4.326 0.000) 12.022 14.820 ( 11.217 4.326 0.000) 12.022 15.058 ( -6.880 -2.776 0.000) 7.419 15.058 ( 6.880 -2.776 0.000) 7.419 15.243 ( -9.769 2.540 0.000) 10.094 15.243 ( 9.769 2.540 0.000) 10.094 15.396 ( -20.863 -0.771 0.000) 20.877 15.396 ( 20.863 -0.771 0.000) 20.877 15.508 ( -13.345 -3.311 0.000) 13.749 15.508 ( 13.345 -3.311 0.000) 13.749 15.966 ( -0.114 -0.126 0.000) 0.170 15.966 ( 0.114 -0.126 0.000) 0.170 16.251 ( -10.967 1.243 0.000) 11.037 16.251 ( 10.967 1.243 0.000) 11.037 16.982 ( -1.350 -0.796 0.000) 1.567 16.982 ( 1.350 -0.796 0.000) 1.567 17.410 ( -4.859 0.319 0.000) 4.869 17.410 ( 4.859 0.319 0.000) 4.869 17.705 ( -4.140 -0.304 0.000) 4.152 17.705 ( 4.140 -0.304 0.000) 4.152 17.769 ( -5.039 3.164 0.000) 5.950 17.769 ( 5.039 3.164 0.000) 5.950 18.033 ( -2.405 1.807 0.000) 3.008 18.033 ( 2.405 1.807 0.000) 3.008 18.171 ( -0.004 -0.913 0.000) 0.913 18.171 ( 0.004 -0.913 0.000) 0.913 18.444 ( -8.894 -1.874 0.000) 9.089 18.444 ( 8.894 -1.874 0.000) 9.089 18.571 ( -17.750 1.292 0.000) 17.796 18.571 ( 17.750 1.292 0.000) 17.796 18.816 ( -0.789 0.216 0.000) 0.818 18.816 ( 0.789 0.216 0.000) 0.818 18.844 ( -0.027 1.240 0.000) 1.240 18.844 ( 0.027 1.240 0.000) 1.240 19.138 ( -3.186 -1.699 0.000) 3.611 19.138 ( 3.186 -1.699 0.000) 3.611 19.451 ( -0.716 -0.977 0.000) 1.211 19.451 ( 0.716 -0.977 0.000) 1.211 19.906 ( -5.255 0.356 0.000) 5.267 19.906 ( 5.255 0.356 0.000) 5.267 20.391 ( -4.033 0.773 0.000) 4.107 20.391 ( 4.033 0.773 0.000) 4.107 20.464 ( -11.939 1.682 0.000) 12.057 20.464 ( 11.939 1.682 0.000) 12.057 20.665 ( -7.126 -1.734 0.000) 7.334 20.665 ( 7.126 -1.734 0.000) 7.334 20.895 ( -1.067 -0.620 0.000) 1.234 20.895 ( 1.067 -0.620 0.000) 1.234 21.089 ( -1.445 -0.386 0.000) 1.496 21.089 ( 1.445 -0.386 0.000) 1.496 21.293 ( -10.349 1.453 0.000) 10.450 21.293 ( 10.349 1.453 0.000) 10.450 21.425 ( -4.017 -2.454 0.000) 4.707 21.425 ( 4.017 -2.454 0.000) 4.707 22.126 ( -0.030 1.829 0.000) 1.830 22.126 ( 0.030 1.829 0.000) 1.830 22.531 ( -0.035 -0.319 0.000) 0.321 22.531 ( 0.035 -0.319 0.000) 0.321 23.013 ( -5.021 1.700 0.000) 5.301 23.013 ( 5.021 1.700 0.000) 5.301 23.342 ( -3.317 -0.306 0.000) 3.331 23.342 ( 3.317 -0.306 0.000) 3.331 23.361 ( -12.009 2.300 0.000) 12.228 23.361 ( 12.009 2.300 0.000) 12.228 23.440 ( -8.930 -1.495 0.000) 9.055 23.440 ( 8.930 -1.495 0.000) 9.055 23.968 ( -6.125 2.540 0.000) 6.631 23.968 ( 6.125 2.540 0.000) 6.631 24.261 ( -7.482 -0.203 0.000) 7.484 24.261 ( 7.482 -0.203 0.000) 7.484 24.456 ( -8.660 0.214 0.000) 8.663 24.456 ( 8.660 0.214 0.000) 8.663 24.677 ( -4.074 2.349 0.000) 4.703 24.677 ( 4.074 2.349 0.000) 4.703 25.216 ( -19.386 1.292 0.000) 19.429 25.216 ( 19.386 1.292 0.000) 19.429 25.561 ( -0.814 -2.880 0.000) 2.992 25.561 ( 0.814 -2.880 0.000) 2.992 25.701 ( -9.757 0.431 0.000) 9.766 25.701 ( 9.757 0.431 0.000) 9.766 26.066 ( -5.051 -0.129 0.000) 5.053 26.066 ( 5.051 -0.129 0.000) 5.053 26.449 ( -30.598 -2.894 0.000) 30.735 26.449 ( 30.598 -2.894 0.000) 30.735 26.717 ( -40.586 -7.342 0.000) 41.245 26.717 ( 40.586 -7.342 0.000) 41.245 26.919 ( -6.493 -1.111 0.000) 6.587 26.919 ( 6.493 -1.111 0.000) 6.587 27.537 ( -24.377 -3.018 0.000) 24.563 27.537 ( 24.377 -3.018 0.000) 24.563 27.795 ( -0.014 -0.381 0.000) 0.381 27.795 ( 0.014 -0.381 0.000) 0.381 28.461 ( -0.282 -1.568 0.000) 1.593 28.461 ( 0.282 -1.568 0.000) 1.593 28.572 ( -2.611 -2.703 0.000) 3.758 28.572 ( 2.611 -2.703 0.000) 3.758 29.218 ( -16.283 -0.525 0.000) 16.291 29.218 ( 16.283 -0.525 0.000) 16.291 29.527 ( -10.108 -3.514 0.000) 10.701 29.527 ( 10.108 -3.514 0.000) 10.701 29.746 ( -1.060 -1.875 0.000) 2.154 29.746 ( 1.060 -1.875 0.000) 2.154 30.302 ( -6.335 -0.636 0.000) 6.367 30.302 ( 6.335 -0.636 0.000) 6.367 30.710 ( -9.849 -0.761 0.000) 9.878 30.710 ( 9.849 -0.761 0.000) 9.878 30.813 ( -4.119 -0.349 0.000) 4.133 30.813 ( 4.119 -0.349 0.000) 4.133 30.928 ( -8.496 -3.164 0.000) 9.066 30.928 ( 8.496 -3.164 0.000) 9.066 31.045 ( -6.689 -5.003 0.000) 8.353 31.045 ( 6.689 -5.003 0.000) 8.353 31.563 ( -5.100 -0.901 0.000) 5.179 31.563 ( 5.100 -0.901 0.000) 5.179 31.639 ( -0.031 -1.535 0.000) 1.536 31.639 ( 0.031 -1.535 0.000) 1.536 31.961 ( -0.217 -6.942 0.000) 6.946 31.961 ( 0.217 -6.942 0.000) 6.946 32.151 ( -2.288 -3.518 0.000) 4.196 32.151 ( 2.288 -3.518 0.000) 4.196 32.669 ( -12.951 -2.100 0.000) 13.120 32.669 ( 12.951 -2.100 0.000) 13.120 33.114 ( -6.441 -2.430 0.000) 6.884 33.114 ( 6.441 -2.430 0.000) 6.884 34.048 ( -0.177 -0.658 0.000) 0.681 34.048 ( 0.177 -0.658 0.000) 0.681 34.226 ( -0.026 -6.713 0.000) 6.713 34.226 ( 0.026 -6.713 0.000) 6.713 36.082 ( -36.642 -14.909 0.000) 39.559 36.082 ( 36.642 -14.909 0.000) 39.559 ======================= Grid point 25 (16/54) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.197 ( 0.000 -1.650 0.000) 1.650 2.287 ( 0.000 11.715 0.000) 11.715 2.300 ( 0.000 7.728 0.000) 7.728 2.747 ( 0.000 -0.888 0.000) 0.888 2.778 ( 0.000 10.606 0.000) 10.606 2.791 ( 0.000 1.295 0.000) 1.295 2.851 ( 0.000 -5.696 0.000) 5.696 2.885 ( 0.000 -7.118 0.000) 7.118 2.913 ( 0.000 -1.814 0.000) 1.814 3.023 ( 0.000 -10.137 0.000) 10.137 3.041 ( 0.000 1.055 0.000) 1.055 3.190 ( 0.000 -0.780 0.000) 0.780 3.204 ( 0.000 13.185 0.000) 13.185 3.281 ( 0.000 1.276 0.000) 1.276 3.389 ( 0.000 -4.603 0.000) 4.603 3.392 ( 0.000 1.426 0.000) 1.426 3.419 ( 0.000 9.850 0.000) 9.850 3.453 ( 0.000 -0.234 0.000) 0.234 3.492 ( 0.000 4.910 0.000) 4.910 3.493 ( 0.000 2.495 0.000) 2.495 3.564 ( 0.000 -0.730 0.000) 0.730 3.680 ( 0.000 9.250 0.000) 9.250 3.694 ( 0.000 -11.887 0.000) 11.887 3.900 ( 0.000 0.387 0.000) 0.387 3.914 ( 0.000 -8.044 0.000) 8.044 4.110 ( 0.000 4.709 0.000) 4.709 4.162 ( 0.000 0.232 0.000) 0.232 4.242 ( 0.000 4.773 0.000) 4.773 4.397 ( 0.000 2.925 0.000) 2.925 4.439 ( 0.000 -0.345 0.000) 0.345 4.550 ( 0.000 -2.093 0.000) 2.093 4.761 ( 0.000 -3.352 0.000) 3.352 4.937 ( 0.000 -0.109 0.000) 0.109 5.038 ( 0.000 -1.293 0.000) 1.293 5.690 ( 0.000 0.335 0.000) 0.335 5.712 ( 0.000 -1.913 0.000) 1.913 5.900 ( 0.000 1.885 0.000) 1.885 6.043 ( 0.000 -3.087 0.000) 3.087 6.157 ( 0.000 -0.383 0.000) 0.383 6.311 ( 0.000 -0.340 0.000) 0.340 6.383 ( 0.000 -2.336 0.000) 2.336 6.398 ( 0.000 -3.258 0.000) 3.258 6.582 ( 0.000 1.826 0.000) 1.826 6.629 ( 0.000 -2.008 0.000) 2.008 7.022 ( 0.000 -1.116 0.000) 1.116 7.038 ( 0.000 -3.671 0.000) 3.671 7.483 ( 0.000 -2.547 0.000) 2.547 7.532 ( 0.000 -2.080 0.000) 2.080 7.542 ( 0.000 1.800 0.000) 1.800 7.611 ( 0.000 1.763 0.000) 1.763 7.778 ( 0.000 -13.120 0.000) 13.120 7.933 ( 0.000 -0.850 0.000) 0.850 8.149 ( 0.000 -0.268 0.000) 0.268 8.187 ( 0.000 -1.157 0.000) 1.157 8.244 ( 0.000 -0.093 0.000) 0.093 8.496 ( 0.000 -0.982 0.000) 0.982 8.514 ( 0.000 0.394 0.000) 0.394 8.812 ( 0.000 -0.036 0.000) 0.036 8.858 ( 0.000 0.906 0.000) 0.906 8.980 ( 0.000 -0.028 0.000) 0.028 9.011 ( 0.000 1.246 0.000) 1.246 9.248 ( 0.000 0.743 0.000) 0.743 9.255 ( 0.000 -0.529 0.000) 0.529 9.553 ( 0.000 -0.751 0.000) 0.751 9.662 ( 0.000 -0.907 0.000) 0.907 9.901 ( 0.000 0.092 0.000) 0.092 9.917 ( 0.000 0.059 0.000) 0.059 10.005 ( 0.000 -0.781 0.000) 0.781 10.147 ( 0.000 2.855 0.000) 2.855 10.187 ( 0.000 0.271 0.000) 0.271 10.198 ( 0.000 -2.203 0.000) 2.203 10.318 ( 0.000 -1.053 0.000) 1.053 10.408 ( 0.000 -0.670 0.000) 0.670 10.566 ( 0.000 -0.143 0.000) 0.143 10.662 ( 0.000 -1.679 0.000) 1.679 10.782 ( 0.000 -2.837 0.000) 2.837 10.965 ( 0.000 -0.603 0.000) 0.603 11.095 ( 0.000 -2.092 0.000) 2.092 11.095 ( 0.000 -0.584 0.000) 0.584 11.172 ( 0.000 0.093 0.000) 0.093 11.263 ( 0.000 0.160 0.000) 0.160 11.293 ( 0.000 -0.102 0.000) 0.102 11.431 ( 0.000 -0.604 0.000) 0.604 11.512 ( 0.000 -0.047 0.000) 0.047 11.530 ( 0.000 0.302 0.000) 0.302 11.928 ( 0.000 -0.324 0.000) 0.324 12.007 ( 0.000 -0.037 0.000) 0.037 12.170 ( 0.000 0.261 0.000) 0.261 12.205 ( 0.000 -0.479 0.000) 0.479 12.360 ( 0.000 0.034 0.000) 0.034 12.413 ( 0.000 0.529 0.000) 0.529 12.435 ( 0.000 0.095 0.000) 0.095 12.448 ( 0.000 1.952 0.000) 1.952 12.679 ( 0.000 -1.489 0.000) 1.489 12.760 ( 0.000 0.081 0.000) 0.081 12.808 ( 0.000 -4.061 0.000) 4.061 12.813 ( 0.000 0.408 0.000) 0.408 12.916 ( 0.000 0.743 0.000) 0.743 13.014 ( 0.000 1.606 0.000) 1.606 13.095 ( 0.000 0.295 0.000) 0.295 13.104 ( 0.000 -0.374 0.000) 0.374 13.229 ( 0.000 -2.123 0.000) 2.123 13.311 ( 0.000 -0.354 0.000) 0.354 13.472 ( 0.000 -0.960 0.000) 0.960 13.516 ( 0.000 -0.871 0.000) 0.871 13.739 ( 0.000 0.945 0.000) 0.945 13.785 ( 0.000 1.111 0.000) 1.111 13.829 ( 0.000 -0.272 0.000) 0.272 14.054 ( 0.000 0.412 0.000) 0.412 14.312 ( 0.000 0.166 0.000) 0.166 14.338 ( 0.000 1.326 0.000) 1.326 14.680 ( 0.000 0.130 0.000) 0.130 14.747 ( 0.000 0.045 0.000) 0.045 15.149 ( 0.000 4.444 0.000) 4.444 15.354 ( 0.000 -1.117 0.000) 1.117 15.410 ( 0.000 -4.514 0.000) 4.514 15.493 ( 0.000 0.117 0.000) 0.117 15.737 ( 0.000 -0.447 0.000) 0.447 15.861 ( 0.000 -0.169 0.000) 0.169 15.880 ( 0.000 1.882 0.000) 1.882 16.012 ( 0.000 -0.492 0.000) 0.492 16.099 ( 0.000 1.891 0.000) 1.891 16.518 ( 0.000 -0.270 0.000) 0.270 16.565 ( 0.000 -1.133 0.000) 1.133 16.698 ( 0.000 0.683 0.000) 0.683 17.018 ( 0.000 0.197 0.000) 0.197 17.304 ( 0.000 0.642 0.000) 0.642 17.399 ( 0.000 0.197 0.000) 0.197 17.582 ( 0.000 -0.145 0.000) 0.145 17.590 ( 0.000 1.743 0.000) 1.743 17.616 ( 0.000 0.553 0.000) 0.553 17.737 ( 0.000 -0.369 0.000) 0.369 17.921 ( 0.000 -0.132 0.000) 0.132 18.114 ( 0.000 -0.080 0.000) 0.080 18.123 ( 0.000 -0.046 0.000) 0.046 18.205 ( 0.000 -0.378 0.000) 0.378 18.411 ( 0.000 -0.129 0.000) 0.129 18.460 ( 0.000 0.384 0.000) 0.384 18.635 ( 0.000 -0.022 0.000) 0.022 18.795 ( 0.000 0.729 0.000) 0.729 18.812 ( 0.000 -0.069 0.000) 0.069 18.818 ( 0.000 -0.184 0.000) 0.184 18.861 ( 0.000 -0.094 0.000) 0.094 18.907 ( 0.000 -0.040 0.000) 0.040 19.170 ( 0.000 0.146 0.000) 0.146 19.176 ( 0.000 -0.822 0.000) 0.822 19.376 ( 0.000 0.102 0.000) 0.102 19.420 ( 0.000 -0.127 0.000) 0.127 19.457 ( 0.000 -0.115 0.000) 0.115 19.809 ( 0.000 0.478 0.000) 0.478 19.909 ( 0.000 0.220 0.000) 0.220 20.051 ( 0.000 -0.092 0.000) 0.092 20.477 ( 0.000 0.103 0.000) 0.103 20.779 ( 0.000 -0.990 0.000) 0.990 20.885 ( 0.000 1.566 0.000) 1.566 20.925 ( 0.000 -0.028 0.000) 0.028 20.955 ( 0.000 -0.395 0.000) 0.395 21.032 ( 0.000 0.547 0.000) 0.547 21.095 ( 0.000 0.352 0.000) 0.352 21.119 ( 0.000 -0.529 0.000) 0.529 21.257 ( 0.000 -1.015 0.000) 1.015 21.265 ( 0.000 0.322 0.000) 0.322 21.408 ( 0.000 -0.705 0.000) 0.705 21.588 ( 0.000 0.576 0.000) 0.576 22.067 ( 0.000 -0.235 0.000) 0.235 22.325 ( 0.000 -0.767 0.000) 0.767 22.553 ( 0.000 0.631 0.000) 0.631 22.673 ( 0.000 0.148 0.000) 0.148 22.808 ( 0.000 0.699 0.000) 0.699 22.893 ( 0.000 0.770 0.000) 0.770 23.110 ( 0.000 -0.672 0.000) 0.672 23.151 ( 0.000 0.762 0.000) 0.762 23.160 ( 0.000 -0.409 0.000) 0.409 23.402 ( 0.000 0.498 0.000) 0.498 23.703 ( 0.000 0.942 0.000) 0.942 23.918 ( 0.000 0.733 0.000) 0.733 24.017 ( 0.000 0.476 0.000) 0.476 24.225 ( 0.000 0.099 0.000) 0.099 24.232 ( 0.000 0.200 0.000) 0.200 24.330 ( 0.000 1.924 0.000) 1.924 24.458 ( 0.000 1.180 0.000) 1.180 24.526 ( 0.000 -0.630 0.000) 0.630 24.751 ( 0.000 0.088 0.000) 0.088 24.925 ( 0.000 0.013 0.000) 0.013 24.951 ( 0.000 1.084 0.000) 1.084 25.003 ( 0.000 0.016 0.000) 0.016 25.099 ( 0.000 -0.867 0.000) 0.867 25.158 ( 0.000 0.213 0.000) 0.213 25.242 ( 0.000 -1.590 0.000) 1.590 25.872 ( 0.000 0.045 0.000) 0.045 25.950 ( 0.000 1.187 0.000) 1.187 25.995 ( 0.000 -1.131 0.000) 1.131 26.282 ( 0.000 -0.474 0.000) 0.474 26.396 ( 0.000 0.505 0.000) 0.505 26.450 ( 0.000 -0.312 0.000) 0.312 26.700 ( 0.000 0.013 0.000) 0.013 26.898 ( 0.000 0.020 0.000) 0.020 27.701 ( 0.000 -0.157 0.000) 0.157 27.779 ( 0.000 -2.383 0.000) 2.383 27.794 ( 0.000 0.024 0.000) 0.024 28.088 ( 0.000 -0.762 0.000) 0.762 28.152 ( 0.000 -3.264 0.000) 3.264 28.265 ( 0.000 -1.376 0.000) 1.376 28.358 ( 0.000 0.017 0.000) 0.017 28.743 ( 0.000 -2.850 0.000) 2.850 28.783 ( 0.000 -0.087 0.000) 0.087 28.853 ( 0.000 -1.441 0.000) 1.441 28.913 ( 0.000 -0.437 0.000) 0.437 29.162 ( 0.000 -0.230 0.000) 0.230 29.569 ( 0.000 -0.095 0.000) 0.095 29.669 ( 0.000 -0.731 0.000) 0.731 30.060 ( 0.000 -0.089 0.000) 0.089 30.114 ( 0.000 -1.528 0.000) 1.528 30.267 ( 0.000 -0.417 0.000) 0.417 30.386 ( 0.000 -0.265 0.000) 0.265 30.713 ( 0.000 -1.577 0.000) 1.577 30.731 ( 0.000 -0.802 0.000) 0.802 30.828 ( 0.000 -0.093 0.000) 0.093 30.838 ( 0.000 -1.478 0.000) 1.478 30.891 ( 0.000 -0.295 0.000) 0.295 31.043 ( 0.000 0.511 0.000) 0.511 31.127 ( 0.000 -1.189 0.000) 1.189 31.311 ( 0.000 -1.553 0.000) 1.553 31.485 ( 0.000 -0.252 0.000) 0.252 31.505 ( 0.000 -1.770 0.000) 1.770 31.849 ( 0.000 -0.516 0.000) 0.516 31.923 ( 0.000 -1.309 0.000) 1.309 31.967 ( 0.000 -1.669 0.000) 1.669 32.182 ( 0.000 -1.089 0.000) 1.089 32.319 ( 0.000 -1.353 0.000) 1.353 32.469 ( 0.000 -0.800 0.000) 0.800 32.564 ( 0.000 -1.069 0.000) 1.069 33.241 ( 0.000 -0.603 0.000) 0.603 33.468 ( 0.000 -2.654 0.000) 2.654 33.699 ( 0.000 -0.939 0.000) 0.939 33.764 ( 0.000 -1.761 0.000) 1.761 33.946 ( 0.000 -0.998 0.000) 0.998 34.285 ( 0.000 -3.092 0.000) 3.092 35.183 ( 0.000 -1.441 0.000) 1.441 36.587 ( 0.000 -11.118 0.000) 11.118 ======================= Grid point 26 (17/54) ======================= q-point: ( 0.25 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 4.113 -0.787 0.000) 4.188 2.332 ( 1.871 3.546 0.000) 4.009 2.364 ( 7.412 10.738 0.000) 13.048 2.683 ( -5.148 1.085 0.000) 5.261 2.760 ( -2.539 6.034 0.000) 6.547 2.795 ( -1.930 3.956 0.000) 4.402 2.799 ( 0.891 -5.611 0.000) 5.681 2.924 ( 2.539 -6.043 0.000) 6.555 2.965 ( 1.146 -2.438 0.000) 2.694 3.008 ( -3.617 1.266 0.000) 3.832 3.055 ( 2.598 -4.344 0.000) 5.062 3.143 ( -3.466 -0.904 0.000) 3.582 3.253 ( 4.037 8.290 0.000) 9.220 3.306 ( 1.306 1.833 0.000) 2.251 3.329 ( -2.868 2.445 0.000) 3.769 3.366 ( -2.553 1.195 0.000) 2.819 3.482 ( 3.368 1.143 0.000) 3.556 3.495 ( 3.386 3.418 0.000) 4.811 3.532 ( 3.248 4.253 0.000) 5.351 3.558 ( 0.290 -0.221 0.000) 0.365 3.594 ( 11.137 3.758 0.000) 11.754 3.719 ( 2.788 5.276 0.000) 5.968 3.753 ( 5.924 -10.327 0.000) 11.905 3.848 ( -3.023 0.554 0.000) 3.073 3.974 ( 5.136 -5.300 0.000) 7.381 4.120 ( -11.426 3.300 0.000) 11.893 4.139 ( -1.682 -1.223 0.000) 2.080 4.214 ( 7.309 4.229 0.000) 8.445 4.371 ( -13.800 -1.050 0.000) 13.839 4.410 ( -2.274 2.744 0.000) 3.564 4.480 ( 4.183 0.088 0.000) 4.184 4.679 ( -5.485 -0.333 0.000) 5.495 5.052 ( 9.733 -2.164 0.000) 9.970 5.099 ( 6.041 -1.986 0.000) 6.359 5.548 ( -12.184 0.196 0.000) 12.185 5.575 ( -11.731 -2.149 0.000) 11.926 6.139 ( 13.779 2.372 0.000) 13.982 6.191 ( 4.830 -0.630 0.000) 4.871 6.205 ( 13.990 -3.259 0.000) 14.364 6.228 ( -1.363 -0.586 0.000) 1.484 6.360 ( -0.379 -1.359 0.000) 1.411 6.440 ( 11.658 -2.270 0.000) 11.877 6.813 ( -18.066 -2.993 0.000) 18.312 6.813 ( 15.882 -0.054 0.000) 15.882 6.874 ( 14.998 -1.406 0.000) 15.064 7.043 ( 2.631 -2.585 0.000) 3.688 7.297 ( -10.809 -0.632 0.000) 10.828 7.427 ( -4.629 -2.480 0.000) 5.251 7.615 ( 10.409 -1.398 0.000) 10.503 7.717 ( -8.827 -4.017 0.000) 9.698 7.836 ( -6.899 -1.610 0.000) 7.085 7.873 ( 5.140 -2.075 0.000) 5.543 7.950 ( -0.687 0.111 0.000) 0.695 8.105 ( -12.348 -2.319 0.000) 12.564 8.399 ( -2.264 0.588 0.000) 2.339 8.449 ( 4.401 -1.847 0.000) 4.773 8.465 ( -3.067 -0.629 0.000) 3.131 8.735 ( -31.248 -0.672 0.000) 31.255 8.863 ( 1.059 1.175 0.000) 1.582 8.868 ( 3.919 -0.097 0.000) 3.921 9.186 ( 14.309 2.231 0.000) 14.482 9.228 ( 11.135 -1.576 0.000) 11.246 9.288 ( -36.119 -0.674 0.000) 36.125 9.391 ( -6.268 -0.450 0.000) 6.284 9.643 ( -2.913 -0.930 0.000) 3.057 9.699 ( 13.210 0.126 0.000) 13.210 9.754 ( -4.431 0.721 0.000) 4.490 9.985 ( -4.046 1.627 0.000) 4.361 10.051 ( -8.447 -0.192 0.000) 8.449 10.113 ( 9.227 0.180 0.000) 9.228 10.158 ( -2.075 -2.119 0.000) 2.966 10.280 ( 9.554 0.618 0.000) 9.574 10.499 ( -0.832 0.080 0.000) 0.836 10.685 ( -19.723 -0.758 0.000) 19.737 10.729 ( 5.611 -1.653 0.000) 5.850 10.842 ( 4.153 -3.062 0.000) 5.160 10.883 ( -16.790 -1.191 0.000) 16.832 10.946 ( 1.545 -1.201 0.000) 1.957 11.005 ( -21.490 -0.072 0.000) 21.490 11.155 ( -4.991 -0.440 0.000) 5.011 11.293 ( 31.204 -0.248 0.000) 31.205 11.453 ( 9.429 -0.436 0.000) 9.439 11.458 ( 3.616 0.572 0.000) 3.661 11.640 ( 7.477 -0.404 0.000) 7.488 11.707 ( 9.523 -0.438 0.000) 9.533 11.918 ( -0.116 0.002 0.000) 0.116 12.106 ( 4.314 -0.187 0.000) 4.318 12.116 ( -3.675 4.061 0.000) 5.476 12.228 ( -0.485 -4.856 0.000) 4.880 12.298 ( -3.722 -0.087 0.000) 3.723 12.466 ( 4.259 0.572 0.000) 4.297 12.468 ( 3.211 0.478 0.000) 3.247 12.516 ( -10.935 -0.899 0.000) 10.972 12.697 ( 13.254 3.170 0.000) 13.628 12.771 ( 0.790 -2.809 0.000) 2.918 12.803 ( 5.154 -0.539 0.000) 5.182 12.812 ( -4.789 0.576 0.000) 4.823 12.906 ( -4.442 -1.050 0.000) 4.565 12.953 ( 13.240 0.559 0.000) 13.251 13.018 ( -18.166 -0.739 0.000) 18.181 13.207 ( 9.940 -0.834 0.000) 9.975 13.289 ( -7.393 1.623 0.000) 7.569 13.391 ( 16.072 -1.125 0.000) 16.111 13.499 ( 2.777 -1.294 0.000) 3.064 13.506 ( 4.252 0.076 0.000) 4.252 13.702 ( 9.755 -0.552 0.000) 9.770 13.759 ( -7.815 0.566 0.000) 7.836 13.940 ( 7.963 0.992 0.000) 8.024 14.164 ( -10.836 0.167 0.000) 10.837 14.314 ( -5.346 1.371 0.000) 5.519 14.499 ( 27.570 0.846 0.000) 27.583 14.740 ( 6.632 -0.709 0.000) 6.670 14.876 ( 14.594 -0.040 0.000) 14.594 15.074 ( -3.107 2.122 0.000) 3.763 15.205 ( -9.282 -1.037 0.000) 9.339 15.289 ( -9.581 2.191 0.000) 9.828 15.362 ( -8.056 -4.518 0.000) 9.236 15.684 ( -17.742 1.906 0.000) 17.844 15.827 ( -8.530 -0.474 0.000) 8.543 15.949 ( -17.873 1.668 0.000) 17.951 15.959 ( 4.163 1.215 0.000) 4.336 15.992 ( 10.860 -1.605 0.000) 10.978 16.101 ( -23.026 -1.580 0.000) 23.080 16.566 ( -21.937 0.574 0.000) 21.945 16.766 ( 16.661 -0.555 0.000) 16.670 16.943 ( 7.012 0.440 0.000) 7.026 17.371 ( -0.962 0.503 0.000) 1.085 17.514 ( -0.999 0.065 0.000) 1.001 17.610 ( 0.667 -0.607 0.000) 0.902 17.636 ( 6.195 1.500 0.000) 6.374 17.670 ( 7.230 0.023 0.000) 7.230 17.838 ( 8.657 0.202 0.000) 8.659 17.984 ( 4.213 0.895 0.000) 4.307 18.163 ( 1.794 -0.303 0.000) 1.819 18.184 ( -1.321 -0.418 0.000) 1.385 18.215 ( 12.496 0.074 0.000) 12.497 18.265 ( -13.903 0.844 0.000) 13.929 18.335 ( -3.788 -0.616 0.000) 3.838 18.642 ( -8.543 -0.313 0.000) 8.549 18.752 ( 2.558 0.692 0.000) 2.650 18.805 ( 0.905 0.285 0.000) 0.949 18.818 ( 0.204 -0.022 0.000) 0.205 18.888 ( 0.514 0.527 0.000) 0.736 18.970 ( -14.627 -0.077 0.000) 14.628 18.975 ( 6.147 -0.524 0.000) 6.169 19.198 ( -0.613 -0.734 0.000) 0.956 19.393 ( 1.851 -0.221 0.000) 1.864 19.438 ( 1.141 -0.363 0.000) 1.197 19.673 ( 15.613 0.187 0.000) 15.614 19.870 ( 5.411 0.203 0.000) 5.415 20.126 ( 18.832 0.333 0.000) 18.835 20.216 ( 12.646 0.157 0.000) 12.647 20.462 ( -1.558 0.198 0.000) 1.570 20.649 ( -8.866 -0.650 0.000) 8.890 20.750 ( -12.465 1.609 0.000) 12.568 20.852 ( -7.034 -1.315 0.000) 7.156 20.877 ( -1.783 -0.113 0.000) 1.787 21.009 ( -2.629 0.890 0.000) 2.776 21.026 ( -3.944 -0.678 0.000) 4.002 21.161 ( 3.160 0.526 0.000) 3.203 21.239 ( -12.531 -0.359 0.000) 12.536 21.314 ( 2.579 -0.666 0.000) 2.664 21.370 ( 7.687 -0.729 0.000) 7.721 21.538 ( -6.662 0.382 0.000) 6.673 22.304 ( 17.136 0.165 0.000) 17.137 22.323 ( -13.763 1.033 0.000) 13.802 22.378 ( -19.149 0.204 0.000) 19.150 22.380 ( 6.557 -0.585 0.000) 6.583 22.966 ( 4.990 0.624 0.000) 5.029 23.056 ( 17.261 0.648 0.000) 17.273 23.166 ( 1.610 -0.385 0.000) 1.655 23.239 ( 6.583 -0.199 0.000) 6.586 23.293 ( 1.819 1.154 0.000) 2.154 23.310 ( 0.287 -0.420 0.000) 0.508 23.619 ( -8.186 0.895 0.000) 8.234 23.737 ( -18.608 0.045 0.000) 18.608 23.935 ( 0.862 0.748 0.000) 1.141 24.186 ( -10.090 1.261 0.000) 10.169 24.207 ( -0.756 0.134 0.000) 0.768 24.303 ( 6.140 0.398 0.000) 6.153 24.503 ( -16.443 -0.182 0.000) 16.444 24.557 ( 7.689 0.890 0.000) 7.741 24.671 ( -8.151 0.060 0.000) 8.151 24.837 ( -6.255 0.992 0.000) 6.333 24.843 ( 15.753 -0.018 0.000) 15.753 25.279 ( 22.040 -0.550 0.000) 22.046 25.327 ( 13.824 -0.657 0.000) 13.840 25.357 ( 18.404 0.132 0.000) 18.404 25.629 ( -17.700 1.383 0.000) 17.754 25.718 ( 30.284 -2.239 0.000) 30.367 25.850 ( -2.746 0.067 0.000) 2.747 25.996 ( 0.937 -0.232 0.000) 0.965 26.262 ( 1.718 -0.543 0.000) 1.802 26.278 ( -10.860 0.331 0.000) 10.865 26.700 ( -1.354 -0.048 0.000) 1.355 26.889 ( 5.451 0.154 0.000) 5.453 26.898 ( 25.536 -0.650 0.000) 25.544 27.367 ( -34.449 -1.083 0.000) 34.466 27.515 ( -43.671 -3.302 0.000) 43.795 27.784 ( -5.865 -0.751 0.000) 5.913 27.793 ( -0.100 0.022 0.000) 0.102 27.804 ( -2.964 -1.830 0.000) 3.484 28.407 ( 4.758 0.121 0.000) 4.760 28.557 ( -13.910 -0.912 0.000) 13.940 28.645 ( -13.604 -1.570 0.000) 13.694 28.649 ( 1.391 -0.526 0.000) 1.487 28.828 ( 17.394 -0.453 0.000) 17.399 29.176 ( 16.583 -1.156 0.000) 16.623 29.373 ( 13.696 -0.442 0.000) 13.703 29.472 ( -9.344 -0.124 0.000) 9.345 29.756 ( 3.476 -0.966 0.000) 3.608 29.924 ( -15.688 -1.431 0.000) 15.753 30.148 ( 7.570 -0.050 0.000) 7.571 30.370 ( -1.947 -0.336 0.000) 1.976 30.410 ( 13.915 -0.400 0.000) 13.920 30.740 ( 2.105 -0.609 0.000) 2.191 30.782 ( 4.985 -0.747 0.000) 5.041 30.814 ( -4.325 -0.500 0.000) 4.354 30.827 ( 1.944 -1.479 0.000) 2.442 30.862 ( -0.160 -0.542 0.000) 0.565 31.054 ( -6.505 -0.912 0.000) 6.568 31.162 ( 1.750 -0.290 0.000) 1.774 31.386 ( -3.247 -1.241 0.000) 3.476 31.429 ( 10.161 -1.143 0.000) 10.225 31.550 ( 5.521 -0.749 0.000) 5.571 31.781 ( -7.496 -0.365 0.000) 7.504 31.926 ( -3.909 -1.911 0.000) 4.351 31.998 ( 3.857 -0.786 0.000) 3.936 32.029 ( -9.453 -2.319 0.000) 9.733 32.240 ( -10.270 -1.155 0.000) 10.335 32.425 ( 7.759 -0.888 0.000) 7.809 32.831 ( 13.966 -0.430 0.000) 13.973 33.044 ( -24.145 -2.097 0.000) 24.236 33.203 ( -3.979 -0.766 0.000) 4.052 33.826 ( 11.267 -0.972 0.000) 11.309 33.979 ( 4.381 0.229 0.000) 4.387 34.074 ( 10.108 -3.820 0.000) 10.806 34.229 ( -5.272 -2.850 0.000) 5.993 35.346 ( 18.170 -2.679 0.000) 18.366 36.378 ( -20.321 -9.665 0.000) 22.503 ======================= Grid point 27 (18/54) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -2.916 -0.335 0.000) 2.935 2.325 ( 2.916 -0.335 0.000) 2.935 2.545 ( -4.198 6.693 0.000) 7.900 2.545 ( 4.198 6.693 0.000) 7.900 2.738 ( -0.559 7.376 0.000) 7.397 2.738 ( 0.559 7.376 0.000) 7.397 2.877 ( -5.047 -6.724 0.000) 8.407 2.877 ( 5.047 -6.724 0.000) 8.407 2.972 ( -0.000 -3.109 0.000) 3.109 2.972 ( 0.000 -3.109 0.000) 3.109 3.095 ( -0.413 -0.711 0.000) 0.822 3.095 ( 0.413 -0.711 0.000) 0.822 3.294 ( -0.488 3.012 0.000) 3.051 3.294 ( 0.488 3.012 0.000) 3.051 3.331 ( -0.574 1.672 0.000) 1.768 3.331 ( 0.574 1.672 0.000) 1.768 3.535 ( -0.118 4.746 0.000) 4.747 3.535 ( 0.118 4.746 0.000) 4.747 3.577 ( -0.091 1.463 0.000) 1.466 3.577 ( 0.091 1.463 0.000) 1.466 3.770 ( -0.301 2.852 0.000) 2.868 3.770 ( 0.301 2.852 0.000) 2.868 3.848 ( -12.259 0.696 0.000) 12.279 3.848 ( 12.259 0.696 0.000) 12.279 3.997 ( -12.559 -4.840 0.000) 13.459 3.997 ( 12.559 -4.840 0.000) 13.459 4.099 ( -0.027 -2.365 0.000) 2.365 4.099 ( 0.027 -2.365 0.000) 2.365 4.347 ( -4.540 4.854 0.000) 6.647 4.347 ( 4.541 4.854 0.000) 6.647 4.579 ( -4.007 -0.078 0.000) 4.008 4.579 ( 4.007 -0.078 0.000) 4.008 5.284 ( -9.554 -0.789 0.000) 9.586 5.284 ( 9.554 -0.789 0.000) 9.586 5.300 ( -11.741 -2.535 0.000) 12.012 5.300 ( 11.741 -2.535 0.000) 12.012 6.253 ( -1.975 -0.154 0.000) 1.981 6.253 ( 1.975 -0.154 0.000) 1.981 6.286 ( -0.642 -1.142 0.000) 1.310 6.286 ( 0.642 -1.142 0.000) 1.310 6.455 ( -12.556 -1.428 0.000) 12.637 6.455 ( 12.556 -1.428 0.000) 12.637 6.976 ( -8.656 -2.458 0.000) 8.998 6.976 ( 8.656 -2.458 0.000) 8.998 7.087 ( -4.209 -2.047 0.000) 4.681 7.087 ( 4.209 -2.047 0.000) 4.681 7.370 ( -11.319 0.846 0.000) 11.351 7.370 ( 11.319 0.846 0.000) 11.351 7.418 ( -2.071 -3.280 0.000) 3.879 7.418 ( 2.071 -3.280 0.000) 3.879 7.867 ( -0.395 -1.391 0.000) 1.445 7.867 ( 0.395 -1.391 0.000) 1.445 7.915 ( -1.246 -1.762 0.000) 2.158 7.915 ( 1.246 -1.762 0.000) 2.158 8.385 ( -2.329 -1.270 0.000) 2.652 8.385 ( 2.329 -1.270 0.000) 2.652 8.465 ( -0.793 -1.235 0.000) 1.468 8.465 ( 0.793 -1.235 0.000) 1.468 8.899 ( -1.234 0.936 0.000) 1.548 8.899 ( 1.234 0.936 0.000) 1.548 9.005 ( -5.616 -0.209 0.000) 5.620 9.005 ( 5.616 -0.209 0.000) 5.620 9.501 ( -10.253 -0.170 0.000) 10.255 9.501 ( 10.254 -0.170 0.000) 10.255 9.682 ( -11.409 0.301 0.000) 11.413 9.682 ( 11.409 0.301 0.000) 11.413 9.813 ( -8.649 0.506 0.000) 8.664 9.813 ( 8.649 0.506 0.000) 8.664 10.047 ( -5.030 0.409 0.000) 5.046 10.047 ( 5.030 0.409 0.000) 5.046 10.350 ( -11.569 -1.146 0.000) 11.626 10.350 ( 11.569 -1.146 0.000) 11.626 10.580 ( -16.454 0.451 0.000) 16.460 10.580 ( 16.454 0.451 0.000) 16.460 10.595 ( -10.311 -0.891 0.000) 10.350 10.595 ( 10.311 -0.891 0.000) 10.350 10.844 ( -1.060 -2.932 0.000) 3.117 10.844 ( 1.060 -2.932 0.000) 3.117 11.040 ( -5.888 -0.892 0.000) 5.955 11.040 ( 5.888 -0.892 0.000) 5.955 11.515 ( -0.068 0.865 0.000) 0.868 11.515 ( 0.068 0.865 0.000) 0.868 11.670 ( -5.591 -0.771 0.000) 5.644 11.670 ( 5.591 -0.771 0.000) 5.644 11.951 ( -11.459 0.836 0.000) 11.490 11.951 ( 11.459 0.836 0.000) 11.490 12.000 ( -2.772 0.090 0.000) 2.773 12.000 ( 2.772 0.090 0.000) 2.773 12.217 ( -0.886 -1.740 0.000) 1.952 12.217 ( 0.886 -1.740 0.000) 1.952 12.479 ( -1.974 -0.372 0.000) 2.009 12.479 ( 1.974 -0.372 0.000) 2.009 12.639 ( -11.817 1.267 0.000) 11.885 12.639 ( 11.817 1.267 0.000) 11.885 12.750 ( -1.377 0.145 0.000) 1.385 12.750 ( 1.377 0.145 0.000) 1.385 12.854 ( -0.241 -1.623 0.000) 1.641 12.854 ( 0.241 -1.623 0.000) 1.641 13.043 ( -14.386 0.454 0.000) 14.394 13.043 ( 14.386 0.454 0.000) 14.394 13.403 ( -23.973 0.455 0.000) 23.978 13.403 ( 23.973 0.455 0.000) 23.978 13.434 ( -8.458 0.399 0.000) 8.467 13.434 ( 8.458 0.399 0.000) 8.467 13.593 ( -0.237 -1.328 0.000) 1.349 13.593 ( 0.237 -1.328 0.000) 1.349 13.931 ( -11.818 0.021 0.000) 11.818 13.931 ( 11.818 0.021 0.000) 11.818 14.142 ( -10.944 0.758 0.000) 10.970 14.142 ( 10.944 0.758 0.000) 10.970 14.900 ( -8.913 3.334 0.000) 9.516 14.900 ( 8.913 3.334 0.000) 9.516 14.996 ( -10.608 -2.927 0.000) 11.004 14.996 ( 10.608 -2.927 0.000) 11.004 15.289 ( -15.477 1.566 0.000) 15.556 15.289 ( 15.477 1.566 0.000) 15.556 15.387 ( -21.392 -0.099 0.000) 21.392 15.387 ( 21.392 -0.099 0.000) 21.392 15.452 ( -21.325 -1.941 0.000) 21.414 15.452 ( 21.325 -1.941 0.000) 21.414 15.962 ( -0.032 -0.185 0.000) 0.188 15.962 ( 0.032 -0.185 0.000) 0.188 16.267 ( -12.425 0.420 0.000) 12.432 16.267 ( 12.425 0.420 0.000) 12.432 16.972 ( -3.442 -0.238 0.000) 3.450 16.972 ( 3.442 -0.238 0.000) 3.450 17.414 ( -5.067 0.103 0.000) 5.068 17.414 ( 5.067 0.103 0.000) 5.068 17.700 ( -5.777 -0.156 0.000) 5.779 17.700 ( 5.777 -0.156 0.000) 5.779 17.815 ( -7.495 1.194 0.000) 7.589 17.815 ( 7.495 1.194 0.000) 7.589 18.059 ( -3.526 0.704 0.000) 3.595 18.059 ( 3.526 0.704 0.000) 3.595 18.159 ( -0.149 -0.341 0.000) 0.372 18.159 ( 0.149 -0.341 0.000) 0.372 18.418 ( -9.991 -0.693 0.000) 10.015 18.418 ( 9.991 -0.693 0.000) 10.015 18.587 ( -19.931 0.367 0.000) 19.935 18.587 ( 19.931 0.367 0.000) 19.935 18.819 ( -0.710 0.073 0.000) 0.714 18.819 ( 0.710 0.073 0.000) 0.714 18.868 ( -0.385 0.850 0.000) 0.933 18.868 ( 0.385 0.850 0.000) 0.933 19.110 ( -5.262 -0.869 0.000) 5.334 19.110 ( 5.262 -0.869 0.000) 5.334 19.437 ( -1.107 -0.396 0.000) 1.175 19.437 ( 1.107 -0.396 0.000) 1.175 19.911 ( -4.989 0.105 0.000) 4.990 19.911 ( 4.989 0.105 0.000) 4.990 20.402 ( -4.562 0.267 0.000) 4.570 20.402 ( 4.562 0.267 0.000) 4.570 20.489 ( -13.994 0.700 0.000) 14.012 20.489 ( 13.994 0.700 0.000) 14.012 20.639 ( -7.974 -0.742 0.000) 8.008 20.639 ( 7.974 -0.742 0.000) 8.008 20.889 ( -2.234 -0.121 0.000) 2.238 20.889 ( 2.234 -0.121 0.000) 2.238 21.083 ( -0.878 -0.152 0.000) 0.891 21.083 ( 0.878 -0.152 0.000) 0.891 21.317 ( -12.400 0.782 0.000) 12.425 21.317 ( 12.400 0.782 0.000) 12.425 21.388 ( -3.265 -1.101 0.000) 3.445 21.388 ( 3.265 -1.101 0.000) 3.445 22.152 ( -0.013 0.704 0.000) 0.705 22.152 ( 0.013 0.704 0.000) 0.705 22.528 ( -0.127 -0.033 0.000) 0.131 22.528 ( 0.127 -0.033 0.000) 0.131 23.037 ( -5.070 0.634 0.000) 5.109 23.037 ( 5.070 0.634 0.000) 5.109 23.338 ( -4.393 -0.093 0.000) 4.394 23.338 ( 4.393 -0.093 0.000) 4.394 23.396 ( -11.918 0.987 0.000) 11.959 23.396 ( 11.919 0.987 0.000) 11.959 23.420 ( -10.012 -0.470 0.000) 10.023 23.420 ( 10.012 -0.470 0.000) 10.023 24.005 ( -6.781 0.984 0.000) 6.852 24.005 ( 6.781 0.984 0.000) 6.852 24.259 ( -7.178 -0.039 0.000) 7.178 24.259 ( 7.178 -0.039 0.000) 7.178 24.462 ( -9.505 0.225 0.000) 9.508 24.462 ( 9.505 0.225 0.000) 9.508 24.710 ( -6.465 0.892 0.000) 6.526 24.710 ( 6.465 0.892 0.000) 6.526 25.234 ( -20.162 0.512 0.000) 20.169 25.234 ( 20.162 0.512 0.000) 20.169 25.523 ( -1.429 -0.917 0.000) 1.698 25.523 ( 1.429 -0.917 0.000) 1.698 25.708 ( -13.226 0.189 0.000) 13.227 25.708 ( 13.226 0.189 0.000) 13.227 26.063 ( -7.156 -0.094 0.000) 7.157 26.063 ( 7.156 -0.094 0.000) 7.157 26.409 ( -32.872 -1.009 0.000) 32.887 26.409 ( 32.872 -1.009 0.000) 32.887 26.625 ( -37.896 -2.164 0.000) 37.958 26.625 ( 37.896 -2.164 0.000) 37.958 26.906 ( -5.223 -0.294 0.000) 5.231 26.906 ( 5.223 -0.294 0.000) 5.231 27.495 ( -25.322 -1.082 0.000) 25.345 27.495 ( 25.322 -1.082 0.000) 25.345 27.791 ( -0.002 -0.083 0.000) 0.083 27.791 ( 0.002 -0.083 0.000) 0.083 28.437 ( -3.690 -0.708 0.000) 3.757 28.437 ( 3.690 -0.708 0.000) 3.757 28.537 ( -6.748 -0.826 0.000) 6.799 28.537 ( 6.748 -0.826 0.000) 6.799 29.211 ( -16.821 -0.139 0.000) 16.821 29.211 ( 16.821 -0.139 0.000) 16.821 29.477 ( -10.909 -1.281 0.000) 10.984 29.477 ( 10.909 -1.281 0.000) 10.984 29.720 ( -2.473 -0.662 0.000) 2.560 29.720 ( 2.473 -0.662 0.000) 2.560 30.294 ( -6.001 -0.204 0.000) 6.004 30.294 ( 6.001 -0.204 0.000) 6.004 30.696 ( -9.975 -0.438 0.000) 9.985 30.696 ( 9.975 -0.438 0.000) 9.985 30.809 ( -4.539 -0.058 0.000) 4.539 30.809 ( 4.539 -0.058 0.000) 4.539 30.897 ( -6.622 -0.203 0.000) 6.625 30.897 ( 6.622 -0.203 0.000) 6.625 30.965 ( -10.624 -2.611 0.000) 10.940 30.965 ( 10.624 -2.611 0.000) 10.940 31.559 ( -10.607 0.215 0.000) 10.609 31.559 ( 10.607 0.215 0.000) 10.609 31.615 ( -1.934 -0.752 0.000) 2.075 31.615 ( 1.934 -0.752 0.000) 2.075 31.862 ( -0.353 -2.662 0.000) 2.685 31.862 ( 0.353 -2.662 0.000) 2.685 32.102 ( -4.026 -1.308 0.000) 4.233 32.102 ( 4.026 -1.308 0.000) 4.233 32.640 ( -14.704 -0.739 0.000) 14.722 32.640 ( 14.704 -0.739 0.000) 14.722 33.075 ( -9.019 -1.154 0.000) 9.092 33.075 ( 9.019 -1.154 0.000) 9.092 34.041 ( -0.825 0.331 0.000) 0.889 34.041 ( 0.825 0.331 0.000) 0.889 34.112 ( -0.320 -3.882 0.000) 3.895 34.112 ( 0.320 -3.882 0.000) 3.895 35.857 ( -29.687 -6.227 0.000) 30.333 35.857 ( 29.687 -6.227 0.000) 30.333 ======================= Grid point 55 (19/54) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.000 0.000 35.640) 35.640 0.841 ( 0.000 0.000 40.042) 40.042 1.419 ( 0.000 0.000 64.650) 64.650 1.920 ( 0.000 0.000 -13.178) 13.178 2.064 ( 0.000 0.000 3.168) 3.168 2.303 ( 0.000 0.000 -8.662) 8.662 2.443 ( 0.000 0.000 -2.085) 2.085 2.648 ( 0.000 0.000 -9.398) 9.398 2.746 ( 0.000 0.000 -1.599) 1.599 2.840 ( 0.000 0.000 0.513) 0.513 2.871 ( 0.000 0.000 3.822) 3.822 2.997 ( 0.000 0.000 10.907) 10.907 3.034 ( 0.000 0.000 4.954) 4.954 3.050 ( 0.000 0.000 6.112) 6.112 3.247 ( 0.000 0.000 0.052) 0.052 3.297 ( 0.000 0.000 -3.215) 3.215 3.325 ( 0.000 0.000 -1.553) 1.553 3.432 ( 0.000 0.000 -0.427) 0.427 3.480 ( 0.000 0.000 -7.809) 7.809 3.527 ( 0.000 0.000 2.207) 2.207 3.591 ( 0.000 0.000 -9.823) 9.823 3.592 ( 0.000 0.000 -27.051) 27.051 3.634 ( 0.000 0.000 -1.238) 1.238 3.836 ( 0.000 0.000 -4.307) 4.307 4.101 ( 0.000 0.000 7.612) 7.612 4.236 ( 0.000 0.000 4.775) 4.775 4.376 ( 0.000 0.000 0.944) 0.944 4.379 ( 0.000 0.000 -5.178) 5.178 4.770 ( 0.000 0.000 -1.537) 1.537 4.803 ( 0.000 0.000 -2.657) 2.657 4.908 ( 0.000 0.000 3.096) 3.096 4.992 ( 0.000 0.000 -0.755) 0.755 5.025 ( 0.000 0.000 1.688) 1.688 5.037 ( 0.000 0.000 1.706) 1.706 5.745 ( 0.000 0.000 2.081) 2.081 5.889 ( 0.000 0.000 -3.511) 3.511 6.100 ( 0.000 0.000 0.044) 0.044 6.187 ( 0.000 0.000 2.099) 2.099 6.539 ( 0.000 0.000 14.020) 14.020 6.549 ( 0.000 0.000 11.934) 11.934 6.762 ( 0.000 0.000 9.549) 9.549 6.967 ( 0.000 0.000 1.324) 1.324 7.137 ( 0.000 0.000 5.026) 5.026 7.161 ( 0.000 0.000 -2.973) 2.973 7.221 ( 0.000 0.000 2.855) 2.855 7.364 ( 0.000 0.000 5.612) 5.612 7.395 ( 0.000 0.000 -3.717) 3.717 7.517 ( 0.000 0.000 -25.133) 25.133 7.536 ( 0.000 0.000 5.440) 5.440 7.618 ( 0.000 0.000 -2.591) 2.591 7.691 ( 0.000 0.000 -2.729) 2.729 7.903 ( 0.000 0.000 5.514) 5.514 8.094 ( 0.000 0.000 -13.531) 13.531 8.097 ( 0.000 0.000 -2.544) 2.544 8.295 ( 0.000 0.000 7.926) 7.926 8.339 ( 0.000 0.000 8.107) 8.107 8.610 ( 0.000 0.000 -4.703) 4.703 8.642 ( 0.000 0.000 -10.038) 10.038 8.657 ( 0.000 0.000 8.492) 8.492 8.769 ( 0.000 0.000 5.841) 5.841 8.866 ( 0.000 0.000 -14.599) 14.599 9.085 ( 0.000 0.000 -4.155) 4.155 9.333 ( 0.000 0.000 -5.214) 5.214 9.586 ( 0.000 0.000 -24.854) 24.854 9.588 ( 0.000 0.000 -12.044) 12.044 9.773 ( 0.000 0.000 -17.460) 17.460 9.834 ( 0.000 0.000 1.494) 1.494 9.893 ( 0.000 0.000 1.091) 1.091 10.134 ( 0.000 0.000 5.713) 5.713 10.378 ( 0.000 0.000 -22.095) 22.095 10.411 ( 0.000 0.000 6.701) 6.701 10.531 ( 0.000 0.000 12.732) 12.732 10.612 ( 0.000 0.000 15.568) 15.568 10.636 ( 0.000 0.000 -5.876) 5.876 11.002 ( 0.000 0.000 -8.181) 8.181 11.185 ( 0.000 0.000 2.173) 2.173 11.198 ( 0.000 0.000 -7.555) 7.555 11.321 ( 0.000 0.000 12.386) 12.386 11.351 ( 0.000 0.000 -2.533) 2.533 11.409 ( 0.000 0.000 3.083) 3.083 11.481 ( 0.000 0.000 -0.072) 0.072 11.560 ( 0.000 0.000 25.360) 25.360 11.642 ( 0.000 0.000 20.145) 20.145 11.722 ( 0.000 0.000 11.433) 11.433 12.074 ( 0.000 0.000 -3.324) 3.324 12.085 ( 0.000 0.000 -2.000) 2.000 12.092 ( 0.000 0.000 26.461) 26.461 12.143 ( 0.000 0.000 -9.173) 9.173 12.233 ( 0.000 0.000 0.401) 0.401 12.250 ( 0.000 0.000 3.245) 3.245 12.256 ( 0.000 0.000 -1.821) 1.821 12.461 ( 0.000 0.000 1.192) 1.192 12.520 ( 0.000 0.000 -1.002) 1.002 12.654 ( 0.000 0.000 -2.884) 2.884 12.712 ( 0.000 0.000 -5.264) 5.264 12.776 ( 0.000 0.000 13.813) 13.813 12.813 ( 0.000 0.000 -10.776) 10.776 12.951 ( 0.000 0.000 -2.450) 2.450 13.037 ( 0.000 0.000 -7.594) 7.594 13.037 ( 0.000 0.000 2.285) 2.285 13.321 ( 0.000 0.000 -9.664) 9.664 13.365 ( 0.000 0.000 11.271) 11.271 13.372 ( 0.000 0.000 -11.608) 11.608 13.391 ( 0.000 0.000 -0.632) 0.632 13.400 ( 0.000 0.000 7.823) 7.823 13.546 ( 0.000 0.000 -10.437) 10.437 13.793 ( 0.000 0.000 -5.771) 5.771 13.922 ( 0.000 0.000 -14.298) 14.298 14.099 ( 0.000 0.000 6.506) 6.506 14.181 ( 0.000 0.000 13.281) 13.281 14.360 ( 0.000 0.000 11.679) 11.679 14.784 ( 0.000 0.000 0.202) 0.202 14.870 ( 0.000 0.000 17.121) 17.121 15.024 ( 0.000 0.000 -5.301) 5.301 15.037 ( 0.000 0.000 7.711) 7.711 15.166 ( 0.000 0.000 -19.922) 19.922 15.415 ( 0.000 0.000 -7.470) 7.470 15.622 ( 0.000 0.000 -18.178) 18.178 15.769 ( 0.000 0.000 7.648) 7.648 15.791 ( 0.000 0.000 -1.446) 1.446 15.832 ( 0.000 0.000 6.284) 6.284 16.047 ( 0.000 0.000 -6.316) 6.316 16.302 ( 0.000 0.000 -19.104) 19.104 16.321 ( 0.000 0.000 -21.172) 21.172 16.824 ( 0.000 0.000 22.443) 22.443 17.125 ( 0.000 0.000 -0.628) 0.628 17.251 ( 0.000 0.000 -8.344) 8.344 17.266 ( 0.000 0.000 18.062) 18.062 17.460 ( 0.000 0.000 9.417) 9.417 17.486 ( 0.000 0.000 25.895) 25.895 17.647 ( 0.000 0.000 -12.035) 12.035 17.976 ( 0.000 0.000 17.826) 17.826 18.036 ( 0.000 0.000 -8.551) 8.551 18.126 ( 0.000 0.000 -6.911) 6.911 18.187 ( 0.000 0.000 2.373) 2.373 18.241 ( 0.000 0.000 4.462) 4.462 18.269 ( 0.000 0.000 -2.663) 2.663 18.444 ( 0.000 0.000 -1.291) 1.291 18.481 ( 0.000 0.000 1.920) 1.920 18.580 ( 0.000 0.000 -4.016) 4.016 18.679 ( 0.000 0.000 -12.847) 12.847 18.722 ( 0.000 0.000 -10.230) 10.230 18.899 ( 0.000 0.000 0.802) 0.802 18.954 ( 0.000 0.000 2.278) 2.278 19.072 ( 0.000 0.000 -2.269) 2.269 19.157 ( 0.000 0.000 -13.062) 13.062 19.493 ( 0.000 0.000 -0.088) 0.088 19.522 ( 0.000 0.000 4.597) 4.597 19.571 ( 0.000 0.000 4.068) 4.068 19.652 ( 0.000 0.000 5.318) 5.318 20.076 ( 0.000 0.000 10.207) 10.207 20.186 ( 0.000 0.000 10.253) 10.253 20.603 ( 0.000 0.000 -0.823) 0.823 20.766 ( 0.000 0.000 -3.240) 3.240 20.889 ( 0.000 0.000 -11.420) 11.420 20.977 ( 0.000 0.000 3.008) 3.008 21.080 ( 0.000 0.000 -1.706) 1.706 21.087 ( 0.000 0.000 -10.714) 10.714 21.198 ( 0.000 0.000 -0.050) 0.050 21.245 ( 0.000 0.000 9.315) 9.315 21.263 ( 0.000 0.000 12.703) 12.703 21.300 ( 0.000 0.000 -6.299) 6.299 21.513 ( 0.000 0.000 -0.392) 0.392 21.848 ( 0.000 0.000 -13.435) 13.435 22.223 ( 0.000 0.000 8.671) 8.671 22.674 ( 0.000 0.000 1.391) 1.391 22.677 ( 0.000 0.000 -11.359) 11.359 22.686 ( 0.000 0.000 0.226) 0.226 22.762 ( 0.000 0.000 19.299) 19.299 22.813 ( 0.000 0.000 11.059) 11.059 23.129 ( 0.000 0.000 1.518) 1.518 23.196 ( 0.000 0.000 -2.192) 2.192 23.295 ( 0.000 0.000 -4.538) 4.538 23.460 ( 0.000 0.000 -9.174) 9.174 23.815 ( 0.000 0.000 2.411) 2.411 23.909 ( 0.000 0.000 -2.977) 2.977 24.004 ( 0.000 0.000 -9.144) 9.144 24.004 ( 0.000 0.000 -5.692) 5.692 24.201 ( 0.000 0.000 9.868) 9.868 24.391 ( 0.000 0.000 7.279) 7.279 24.576 ( 0.000 0.000 -5.055) 5.055 24.631 ( 0.000 0.000 -5.737) 5.737 24.652 ( 0.000 0.000 12.192) 12.192 24.992 ( 0.000 0.000 1.929) 1.929 25.008 ( 0.000 0.000 0.206) 0.206 25.291 ( 0.000 0.000 17.327) 17.327 25.446 ( 0.000 0.000 -18.761) 18.761 25.493 ( 0.000 0.000 1.735) 1.735 25.702 ( 0.000 0.000 -5.403) 5.403 25.732 ( 0.000 0.000 4.977) 4.977 25.990 ( 0.000 0.000 -2.929) 2.929 26.188 ( 0.000 0.000 -0.965) 0.965 26.196 ( 0.000 0.000 -22.569) 22.569 26.317 ( 0.000 0.000 -1.402) 1.402 26.795 ( 0.000 0.000 19.464) 19.464 26.818 ( 0.000 0.000 4.649) 4.649 26.889 ( 0.000 0.000 -0.351) 0.351 27.599 ( 0.000 0.000 -16.804) 16.804 27.869 ( 0.000 0.000 12.736) 12.736 28.289 ( 0.000 0.000 -4.999) 4.999 28.729 ( 0.000 0.000 8.965) 8.965 28.778 ( 0.000 0.000 1.781) 1.781 28.918 ( 0.000 0.000 3.748) 3.748 28.948 ( 0.000 0.000 -4.501) 4.501 29.108 ( 0.000 0.000 -0.658) 0.658 29.251 ( 0.000 0.000 2.864) 2.864 29.264 ( 0.000 0.000 -12.388) 12.388 29.317 ( 0.000 0.000 9.655) 9.655 29.345 ( 0.000 0.000 1.847) 1.847 29.581 ( 0.000 0.000 5.933) 5.933 29.996 ( 0.000 0.000 -21.665) 21.665 30.259 ( 0.000 0.000 -18.034) 18.034 30.296 ( 0.000 0.000 9.498) 9.498 30.652 ( 0.000 0.000 -3.026) 3.026 30.747 ( 0.000 0.000 11.836) 11.836 30.968 ( 0.000 0.000 -0.832) 0.832 31.043 ( 0.000 0.000 3.572) 3.572 31.164 ( 0.000 0.000 -1.257) 1.257 31.170 ( 0.000 0.000 2.419) 2.419 31.257 ( 0.000 0.000 8.515) 8.515 31.273 ( 0.000 0.000 -1.952) 1.952 31.410 ( 0.000 0.000 -1.169) 1.169 31.876 ( 0.000 0.000 -6.987) 6.987 32.028 ( 0.000 0.000 -6.826) 6.826 32.265 ( 0.000 0.000 2.950) 2.950 32.317 ( 0.000 0.000 -0.529) 0.529 32.377 ( 0.000 0.000 8.056) 8.056 32.447 ( 0.000 0.000 10.293) 10.293 32.723 ( 0.000 0.000 -2.418) 2.418 32.800 ( 0.000 0.000 -7.292) 7.292 32.965 ( 0.000 0.000 -2.161) 2.161 33.065 ( 0.000 0.000 -4.274) 4.274 33.249 ( 0.000 0.000 4.137) 4.137 33.268 ( 0.000 0.000 2.749) 2.749 33.795 ( 0.000 0.000 -0.105) 0.105 33.798 ( 0.000 0.000 -0.186) 0.186 33.859 ( 0.000 0.000 1.685) 1.685 33.925 ( 0.000 0.000 -0.785) 0.785 34.838 ( 0.000 0.000 0.915) 0.915 34.896 ( 0.000 0.000 -1.282) 1.282 ======================= Grid point 56 (20/54) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 27.932 0.000 24.302) 37.024 1.228 ( 27.949 0.000 27.839) 39.448 1.890 ( 26.315 0.000 18.519) 32.178 1.998 ( -8.234 0.000 13.026) 15.410 2.093 ( 23.619 0.000 15.213) 28.094 2.266 ( -10.445 0.000 -7.419) 12.812 2.308 ( 2.436 0.000 -13.888) 14.100 2.669 ( 2.469 0.000 -4.157) 4.835 2.702 ( -6.587 0.000 6.245) 9.077 2.810 ( -3.153 0.000 -4.422) 5.432 2.872 ( -8.856 0.000 -4.888) 10.115 2.960 ( 6.135 0.000 3.605) 7.115 3.068 ( 3.359 0.000 1.244) 3.582 3.149 ( -0.915 0.000 1.243) 1.544 3.170 ( 5.628 0.000 5.886) 8.144 3.244 ( -2.307 0.000 3.019) 3.800 3.363 ( -2.729 0.000 -3.199) 4.205 3.383 ( -4.537 0.000 -1.729) 4.855 3.429 ( -4.708 0.000 -3.781) 6.038 3.464 ( -7.748 0.000 -3.154) 8.366 3.566 ( 1.792 0.000 0.643) 1.904 3.599 ( 0.264 0.000 -7.366) 7.371 3.752 ( 5.437 0.000 -16.214) 17.101 3.781 ( -5.413 0.000 -1.672) 5.665 4.060 ( -2.314 0.000 -1.111) 2.567 4.169 ( -21.579 0.000 -6.008) 22.400 4.242 ( 1.251 0.000 4.366) 4.542 4.319 ( -3.370 0.000 1.704) 3.777 4.585 ( 1.675 0.000 4.329) 4.641 4.696 ( -3.410 0.000 -1.442) 3.702 4.928 ( -7.732 0.000 1.603) 7.896 4.937 ( -8.287 0.000 1.425) 8.409 5.201 ( 12.524 0.000 2.500) 12.772 5.288 ( 18.579 0.000 -2.487) 18.745 5.652 ( -7.690 0.000 3.263) 8.354 5.816 ( -6.377 0.000 -3.637) 7.342 6.299 ( 13.357 0.000 0.071) 13.357 6.308 ( 10.697 0.000 6.039) 12.284 6.494 ( 2.521 0.000 10.606) 10.901 6.561 ( 1.054 0.000 12.097) 12.143 6.866 ( 4.407 0.000 5.348) 6.930 6.892 ( -8.221 0.000 4.545) 9.393 6.949 ( -16.544 0.000 13.613) 21.425 7.178 ( -1.157 0.000 -5.931) 6.043 7.281 ( -9.631 0.000 -10.306) 14.105 7.374 ( 2.558 0.000 -1.834) 3.147 7.394 ( -5.675 0.000 -1.196) 5.799 7.464 ( 5.659 0.000 -2.155) 6.056 7.497 ( 7.983 0.000 -10.953) 13.554 7.602 ( 8.595 0.000 -7.408) 11.347 7.759 ( 12.145 0.000 0.723) 12.167 7.953 ( 3.221 0.000 9.550) 10.078 8.075 ( -2.406 0.000 -2.503) 3.472 8.166 ( -9.473 0.000 6.909) 11.725 8.213 ( -3.202 0.000 9.730) 10.243 8.418 ( 11.035 0.000 -7.965) 13.610 8.531 ( -7.918 0.000 -2.191) 8.215 8.599 ( 0.477 0.000 -5.802) 5.822 8.660 ( -1.267 0.000 -1.291) 1.809 8.778 ( 6.231 0.000 2.387) 6.673 9.051 ( 3.853 0.000 -4.980) 6.296 9.192 ( -15.520 0.000 -19.668) 25.055 9.228 ( -9.979 0.000 -22.204) 24.343 9.312 ( 8.877 0.000 -13.581) 16.225 9.662 ( 8.067 0.000 -5.529) 9.779 9.821 ( 2.801 0.000 -13.243) 13.536 9.916 ( -10.744 0.000 3.563) 11.320 9.956 ( -14.668 0.000 9.813) 17.647 9.972 ( 9.116 0.000 5.390) 10.591 10.332 ( 10.517 0.000 5.450) 11.845 10.439 ( -5.057 0.000 -18.707) 19.379 10.447 ( -12.050 0.000 9.946) 15.625 10.594 ( 2.242 0.000 4.914) 5.401 10.700 ( 3.268 0.000 3.504) 4.791 10.771 ( -12.932 0.000 7.819) 15.112 11.023 ( -5.501 0.000 -5.971) 8.119 11.202 ( 2.929 0.000 -5.974) 6.653 11.346 ( 2.728 0.000 -6.757) 7.287 11.419 ( 1.563 0.000 1.300) 2.032 11.433 ( -3.223 0.000 1.349) 3.493 11.480 ( 2.409 0.000 10.881) 11.144 11.580 ( -0.514 0.000 17.437) 17.445 11.735 ( 5.539 0.000 2.044) 5.904 11.928 ( 14.468 0.000 11.893) 18.728 11.954 ( -8.459 0.000 -7.578) 11.357 12.122 ( 4.014 0.000 24.579) 24.905 12.173 ( 8.206 0.000 -0.644) 8.231 12.187 ( -2.082 0.000 0.405) 2.121 12.247 ( -9.989 0.000 -3.550) 10.601 12.250 ( -1.947 0.000 -1.871) 2.700 12.297 ( 5.562 0.000 2.049) 5.928 12.316 ( 6.504 0.000 -0.325) 6.512 12.468 ( -10.516 0.000 12.185) 16.095 12.591 ( -0.810 0.000 -5.754) 5.811 12.689 ( 3.366 0.000 2.112) 3.974 12.771 ( -13.436 0.000 1.410) 13.510 12.795 ( 3.457 0.000 -5.976) 6.904 12.915 ( -2.004 0.000 -5.811) 6.147 12.967 ( -2.043 0.000 -3.216) 3.810 13.171 ( 15.056 0.000 4.565) 15.733 13.299 ( 4.072 0.000 -8.737) 9.639 13.359 ( -11.412 0.000 -6.407) 13.087 13.400 ( 4.327 0.000 4.885) 6.526 13.475 ( 2.732 0.000 0.805) 2.848 13.488 ( 4.897 0.000 2.105) 5.331 13.723 ( 3.491 0.000 -0.410) 3.515 13.825 ( -1.804 0.000 -5.357) 5.652 13.960 ( 9.079 0.000 -3.958) 9.904 14.170 ( 12.206 0.000 6.843) 13.994 14.282 ( 9.845 0.000 6.696) 11.906 14.348 ( -1.405 0.000 10.902) 10.992 14.645 ( -11.838 0.000 3.671) 12.394 14.935 ( 1.727 0.000 11.662) 11.789 14.967 ( -4.475 0.000 -1.572) 4.743 15.069 ( 4.712 0.000 -5.290) 7.084 15.179 ( 4.377 0.000 -11.098) 11.930 15.379 ( -3.920 0.000 -8.977) 9.796 15.531 ( -8.475 0.000 -8.992) 12.357 15.589 ( -11.660 0.000 -3.726) 12.241 15.836 ( 6.794 0.000 -0.493) 6.812 15.928 ( 2.939 0.000 1.273) 3.203 15.945 ( 0.632 0.000 -2.576) 2.653 16.171 ( -15.348 0.000 -8.166) 17.385 16.423 ( -10.616 0.000 -5.659) 12.030 16.750 ( -2.199 0.000 5.159) 5.609 16.827 ( -0.879 0.000 -7.182) 7.235 17.044 ( -3.819 0.000 -9.764) 10.484 17.484 ( -13.615 0.000 -9.263) 16.467 17.495 ( 7.001 0.000 23.510) 24.530 17.641 ( 11.589 0.000 4.693) 12.503 17.757 ( 11.009 0.000 9.796) 14.736 17.954 ( 5.944 0.000 11.567) 13.005 18.018 ( -6.470 0.000 -1.817) 6.720 18.069 ( -8.673 0.000 8.342) 12.033 18.229 ( -1.256 0.000 -0.133) 1.263 18.287 ( 4.891 0.000 2.836) 5.654 18.344 ( -0.634 0.000 -9.681) 9.701 18.417 ( 1.831 0.000 -2.794) 3.340 18.454 ( 2.984 0.000 -4.303) 5.236 18.621 ( -2.497 0.000 -7.764) 8.156 18.714 ( 2.182 0.000 -8.776) 9.043 18.724 ( 2.898 0.000 -6.073) 6.729 18.919 ( 1.532 0.000 0.255) 1.553 18.948 ( -0.844 0.000 2.381) 2.526 19.124 ( 3.758 0.000 -2.620) 4.581 19.180 ( 1.569 0.000 -11.850) 11.954 19.552 ( 5.267 0.000 4.356) 6.835 19.628 ( 6.048 0.000 5.617) 8.254 19.677 ( 12.217 0.000 5.887) 13.561 19.863 ( 16.435 0.000 6.687) 17.744 20.107 ( 4.397 0.000 5.470) 7.018 20.239 ( 3.169 0.000 2.204) 3.860 20.517 ( -5.268 0.000 2.172) 5.698 20.645 ( -10.206 0.000 -0.249) 10.209 20.763 ( -17.008 0.000 8.567) 19.044 20.910 ( 2.270 0.000 -10.631) 10.871 20.984 ( 3.416 0.000 0.496) 3.452 21.023 ( -16.593 0.000 -5.166) 17.378 21.084 ( 0.220 0.000 0.491) 0.538 21.224 ( -0.684 0.000 7.384) 7.415 21.299 ( -3.819 0.000 -7.713) 8.607 21.390 ( 0.166 0.000 -2.526) 2.532 21.577 ( 10.423 0.000 4.193) 11.235 21.580 ( -19.874 0.000 9.390) 21.981 22.297 ( 9.567 0.000 -0.618) 9.587 22.321 ( -15.373 0.000 -0.352) 15.377 22.532 ( -9.205 0.000 18.194) 20.390 22.629 ( -7.848 0.000 9.747) 12.514 22.929 ( 6.224 0.000 -3.932) 7.362 22.953 ( 9.123 0.000 1.596) 9.262 23.093 ( -3.078 0.000 -1.611) 3.474 23.272 ( 7.434 0.000 0.788) 7.476 23.380 ( -6.603 0.000 -8.211) 10.537 23.430 ( 6.586 0.000 -2.611) 7.085 23.579 ( -10.418 0.000 17.472) 20.342 23.788 ( -1.896 0.000 0.668) 2.011 23.920 ( -3.795 0.000 0.518) 3.830 23.935 ( -5.934 0.000 3.456) 6.867 24.156 ( 1.989 0.000 -2.569) 3.249 24.433 ( -7.163 0.000 -7.236) 10.182 24.436 ( -10.663 0.000 4.183) 11.454 24.542 ( 7.881 0.000 6.528) 10.233 24.548 ( -15.058 0.000 -2.848) 15.325 24.721 ( 3.501 0.000 1.034) 3.651 24.932 ( 1.154 0.000 5.701) 5.817 25.276 ( 7.016 0.000 0.975) 7.084 25.401 ( -17.564 0.000 -9.894) 20.159 25.693 ( -6.358 0.000 -16.647) 17.820 25.744 ( 14.523 0.000 8.342) 16.749 25.882 ( -1.070 0.000 -3.521) 3.680 25.938 ( 14.777 0.000 5.615) 15.808 26.485 ( 16.512 0.000 6.170) 17.627 26.513 ( 18.004 0.000 -15.331) 23.647 26.643 ( -8.512 0.000 19.469) 21.248 26.906 ( 2.795 0.000 -0.277) 2.809 26.917 ( 14.428 0.000 -0.166) 14.429 27.296 ( 23.816 0.000 -35.684) 42.901 27.548 ( -5.646 0.000 -19.174) 19.988 27.913 ( -2.271 0.000 14.588) 14.764 28.337 ( 2.885 0.000 -4.510) 5.354 28.569 ( 2.055 0.000 -9.845) 10.058 28.685 ( -5.139 0.000 1.841) 5.459 28.697 ( -31.926 0.000 5.997) 32.485 28.820 ( -6.907 0.000 -5.620) 8.905 29.120 ( -1.949 0.000 7.872) 8.110 29.292 ( 22.363 0.000 -5.819) 23.108 29.339 ( -1.528 0.000 -5.140) 5.363 29.381 ( 14.460 0.000 -5.184) 15.361 29.514 ( 10.346 0.000 -0.043) 10.346 29.730 ( 1.117 0.000 -11.288) 11.343 30.070 ( -0.309 0.000 0.528) 0.612 30.212 ( -7.822 0.000 -6.876) 10.415 30.323 ( 9.228 0.000 -0.248) 9.232 30.572 ( -4.068 0.000 -1.859) 4.473 30.781 ( -5.984 0.000 1.238) 6.110 30.794 ( 3.450 0.000 11.378) 11.890 30.943 ( -13.012 0.000 -1.274) 13.074 31.052 ( -8.052 0.000 0.839) 8.096 31.276 ( 4.996 0.000 1.106) 5.117 31.347 ( 14.805 0.000 0.938) 14.835 31.447 ( 1.101 0.000 -0.409) 1.175 31.526 ( 13.525 0.000 6.753) 15.117 31.840 ( -4.187 0.000 -6.331) 7.590 32.072 ( -2.038 0.000 -7.125) 7.410 32.252 ( -4.778 0.000 9.847) 10.945 32.254 ( -1.319 0.000 5.710) 5.860 32.346 ( -2.521 0.000 5.708) 6.240 32.353 ( -4.910 0.000 5.346) 7.259 32.700 ( 4.086 0.000 -6.239) 7.458 32.888 ( 3.141 0.000 -10.239) 10.709 32.992 ( 3.976 0.000 1.132) 4.134 33.109 ( 1.614 0.000 -3.016) 3.420 33.264 ( 1.441 0.000 4.335) 4.569 33.289 ( 1.323 0.000 2.248) 2.608 33.729 ( -5.869 0.000 6.871) 9.036 33.792 ( -0.572 0.000 -0.201) 0.606 33.807 ( -0.717 0.000 1.036) 1.260 33.853 ( -6.247 0.000 0.022) 6.247 34.730 ( -6.947 0.000 6.297) 9.376 34.781 ( -4.864 0.000 0.726) 4.918 ======================= Grid point 57 (21/54) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -19.174 0.000 21.300) 28.659 1.646 ( 19.174 0.000 21.300) 28.659 1.732 ( -6.780 0.000 14.466) 15.976 1.732 ( 6.780 0.000 14.466) 15.976 2.379 ( -1.602 0.000 -11.574) 11.684 2.379 ( 1.602 0.000 -11.574) 11.684 2.545 ( -10.870 0.000 -7.150) 13.011 2.545 ( 10.870 0.000 -7.150) 13.011 2.729 ( -1.468 0.000 -3.855) 4.125 2.729 ( 1.468 0.000 -3.855) 4.125 2.971 ( -31.595 0.000 5.906) 32.142 2.971 ( 31.595 0.000 5.906) 32.142 3.122 ( -6.759 0.000 4.460) 8.098 3.122 ( 6.759 0.000 4.460) 8.098 3.218 ( -1.361 0.000 1.263) 1.857 3.218 ( 1.361 0.000 1.263) 1.857 3.271 ( -6.767 0.000 4.907) 8.360 3.271 ( 6.767 0.000 4.907) 8.360 3.338 ( -0.336 0.000 -0.485) 0.590 3.338 ( 0.336 0.000 -0.485) 0.590 3.600 ( -0.074 0.000 3.040) 3.040 3.600 ( 0.074 0.000 3.040) 3.040 3.719 ( -0.264 0.000 -9.616) 9.620 3.719 ( 0.264 0.000 -9.616) 9.620 4.013 ( -2.689 0.000 -10.916) 11.242 4.013 ( 2.689 0.000 -10.916) 11.242 4.271 ( -0.765 0.000 2.731) 2.837 4.271 ( 0.765 0.000 2.731) 2.837 4.659 ( -2.649 0.000 2.753) 3.821 4.659 ( 2.649 0.000 2.753) 3.821 4.820 ( -0.000 0.000 0.288) 0.288 4.820 ( 0.000 0.000 0.288) 0.288 5.413 ( -7.102 0.000 1.125) 7.190 5.413 ( 7.102 0.000 1.125) 7.190 5.648 ( -9.748 0.000 -0.536) 9.762 5.648 ( 9.748 0.000 -0.536) 9.762 6.480 ( -0.279 0.000 13.899) 13.902 6.480 ( 0.279 0.000 13.899) 13.902 6.604 ( -1.402 0.000 3.170) 3.466 6.604 ( 1.402 0.000 3.170) 3.466 6.687 ( -1.421 0.000 7.096) 7.236 6.687 ( 1.421 0.000 7.096) 7.236 6.988 ( -10.060 0.000 -2.057) 10.268 6.988 ( 10.060 0.000 -2.057) 10.268 7.226 ( -2.714 0.000 -10.856) 11.190 7.226 ( 2.714 0.000 -10.856) 11.190 7.517 ( -4.098 0.000 -4.925) 6.407 7.517 ( 4.098 0.000 -4.925) 6.407 7.820 ( -14.587 0.000 -0.613) 14.600 7.820 ( 14.587 0.000 -0.613) 14.600 7.875 ( -2.802 0.000 7.253) 7.775 7.875 ( 2.802 0.000 7.253) 7.775 8.004 ( -3.400 0.000 2.637) 4.303 8.004 ( 3.400 0.000 2.637) 4.303 8.297 ( -8.594 0.000 -1.753) 8.771 8.297 ( 8.594 0.000 -1.753) 8.771 8.589 ( -1.175 0.000 -8.210) 8.294 8.589 ( 1.175 0.000 -8.210) 8.294 8.759 ( -12.206 0.000 -13.013) 17.842 8.759 ( 12.206 0.000 -13.013) 17.842 8.913 ( -8.698 0.000 4.794) 9.932 8.913 ( 8.698 0.000 4.794) 9.932 9.379 ( -10.389 0.000 -11.417) 15.437 9.379 ( 10.389 0.000 -11.417) 15.437 9.700 ( -1.109 0.000 5.627) 5.736 9.700 ( 1.109 0.000 5.627) 5.736 9.891 ( -0.909 0.000 -11.144) 11.181 9.891 ( 0.909 0.000 -11.144) 11.181 10.214 ( -1.491 0.000 -0.760) 1.673 10.214 ( 1.491 0.000 -0.760) 1.673 10.306 ( -14.872 0.000 -0.239) 14.873 10.306 ( 14.872 0.000 -0.239) 14.873 10.733 ( -2.077 0.000 8.207) 8.466 10.733 ( 2.077 0.000 8.207) 8.466 10.808 ( -12.321 0.000 0.672) 12.339 10.808 ( 12.321 0.000 0.672) 12.339 11.335 ( -7.269 0.000 -4.546) 8.573 11.335 ( 7.269 0.000 -4.546) 8.573 11.425 ( -1.766 0.000 -1.420) 2.266 11.425 ( 1.766 0.000 -1.420) 2.266 11.497 ( -4.020 0.000 5.549) 6.852 11.497 ( 4.020 0.000 5.549) 6.852 11.836 ( -3.164 0.000 -7.126) 7.797 11.836 ( 3.164 0.000 -7.126) 7.797 12.078 ( -3.885 0.000 9.721) 10.468 12.078 ( 3.885 0.000 9.721) 10.468 12.156 ( -0.021 0.000 1.315) 1.316 12.156 ( 0.021 0.000 1.315) 1.316 12.309 ( -1.321 0.000 15.005) 15.063 12.309 ( 1.321 0.000 15.005) 15.063 12.403 ( -11.021 0.000 -0.346) 11.026 12.403 ( 11.021 0.000 -0.346) 11.026 12.442 ( -5.784 0.000 2.754) 6.406 12.442 ( 5.784 0.000 2.754) 6.406 12.663 ( -7.243 0.000 2.642) 7.710 12.663 ( 7.243 0.000 2.642) 7.710 12.847 ( -5.571 0.000 -6.820) 8.806 12.847 ( 5.571 0.000 -6.820) 8.806 13.100 ( -12.135 0.000 -7.730) 14.388 13.100 ( 12.135 0.000 -7.730) 14.388 13.391 ( -5.831 0.000 4.657) 7.463 13.391 ( 5.831 0.000 4.657) 7.463 13.420 ( -1.146 0.000 -0.997) 1.519 13.420 ( 1.146 0.000 -0.997) 1.519 13.598 ( -5.188 0.000 2.813) 5.901 13.598 ( 5.188 0.000 2.813) 5.901 13.965 ( -4.907 0.000 -2.885) 5.692 13.965 ( 4.907 0.000 -2.885) 5.692 14.391 ( -5.481 0.000 6.318) 8.364 14.391 ( 5.481 0.000 6.318) 8.364 14.407 ( -1.379 0.000 6.624) 6.766 14.407 ( 1.379 0.000 6.624) 6.766 14.914 ( -0.016 0.000 4.496) 4.496 14.914 ( 0.016 0.000 4.496) 4.496 15.246 ( -7.902 0.000 -10.904) 13.466 15.246 ( 7.902 0.000 -10.904) 13.466 15.340 ( -10.360 0.000 -8.696) 13.526 15.340 ( 10.360 0.000 -8.696) 13.526 15.652 ( -18.700 0.000 -0.349) 18.703 15.652 ( 18.700 0.000 -0.349) 18.703 15.981 ( -0.312 0.000 -0.010) 0.313 15.981 ( 0.312 0.000 -0.010) 0.313 16.109 ( -13.067 0.000 5.162) 14.050 16.109 ( 13.067 0.000 5.162) 14.050 16.806 ( -5.176 0.000 -16.183) 16.990 16.806 ( 5.176 0.000 -16.183) 16.990 17.167 ( -13.920 0.000 -13.505) 19.394 17.167 ( 13.920 0.000 -13.505) 19.394 17.705 ( -7.966 0.000 17.643) 19.358 17.705 ( 7.966 0.000 17.643) 19.358 17.846 ( -1.753 0.000 7.390) 7.595 17.846 ( 1.753 0.000 7.390) 7.595 18.038 ( -0.074 0.000 7.870) 7.871 18.038 ( 0.074 0.000 7.870) 7.871 18.231 ( -2.541 0.000 -6.079) 6.588 18.231 ( 2.541 0.000 -6.079) 6.588 18.411 ( -3.069 0.000 1.554) 3.441 18.411 ( 3.069 0.000 1.554) 3.441 18.539 ( -3.550 0.000 -8.237) 8.970 18.539 ( 3.550 0.000 -8.237) 8.970 18.748 ( -0.528 0.000 -5.016) 5.043 18.748 ( 0.528 0.000 -5.016) 5.043 18.936 ( -0.138 0.000 2.926) 2.930 18.936 ( 0.138 0.000 2.926) 2.930 19.182 ( -0.924 0.000 -6.702) 6.765 19.182 ( 0.924 0.000 -6.702) 6.765 19.653 ( -3.474 0.000 11.707) 12.212 19.653 ( 3.474 0.000 11.707) 12.212 19.942 ( -10.324 0.000 5.480) 11.688 19.942 ( 10.324 0.000 5.480) 11.688 20.256 ( -6.523 0.000 -1.354) 6.662 20.256 ( 6.523 0.000 -1.354) 6.662 20.530 ( -7.507 0.000 10.164) 12.636 20.530 ( 7.507 0.000 10.164) 12.636 20.631 ( -15.210 0.000 -11.465) 19.048 20.631 ( 15.210 0.000 -11.465) 19.048 21.010 ( -4.871 0.000 -5.652) 7.461 21.010 ( 4.871 0.000 -5.652) 7.461 21.195 ( -4.705 0.000 1.497) 4.938 21.195 ( 4.705 0.000 1.497) 4.938 21.231 ( -11.138 0.000 6.533) 12.913 21.231 ( 11.138 0.000 6.533) 12.913 21.549 ( -8.512 0.000 -4.967) 9.855 21.549 ( 8.512 0.000 -4.967) 9.855 22.222 ( -4.084 0.000 16.211) 16.717 22.222 ( 4.084 0.000 16.211) 16.717 22.602 ( -0.983 0.000 -0.549) 1.126 22.602 ( 0.983 0.000 -0.549) 1.126 22.924 ( -0.670 0.000 -3.134) 3.205 22.924 ( 0.670 0.000 -3.134) 3.205 23.243 ( -8.305 0.000 -0.977) 8.363 23.243 ( 8.305 0.000 -0.977) 8.363 23.374 ( -3.844 0.000 3.126) 4.955 23.374 ( 3.844 0.000 3.126) 4.955 23.705 ( -9.143 0.000 2.453) 9.466 23.705 ( 9.143 0.000 2.453) 9.466 23.856 ( -1.016 0.000 4.598) 4.708 23.856 ( 1.016 0.000 4.598) 4.708 24.268 ( -10.051 0.000 -6.241) 11.831 24.268 ( 10.051 0.000 -6.241) 11.831 24.351 ( -0.454 0.000 -3.974) 4.000 24.351 ( 0.454 0.000 -3.974) 4.000 24.676 ( -5.578 0.000 6.631) 8.665 24.676 ( 5.578 0.000 6.631) 8.665 25.095 ( -13.000 0.000 -4.033) 13.611 25.095 ( 13.000 0.000 -4.033) 13.611 25.496 ( -12.149 0.000 -9.215) 15.248 25.496 ( 12.149 0.000 -9.215) 15.248 25.873 ( -0.847 0.000 -1.731) 1.927 25.873 ( 0.847 0.000 -1.731) 1.927 26.307 ( -19.621 0.000 16.423) 25.587 26.307 ( 19.621 0.000 16.423) 25.587 26.705 ( -0.155 0.000 1.739) 1.746 26.705 ( 0.155 0.000 1.739) 1.746 27.154 ( -21.757 0.000 2.526) 21.903 27.154 ( 21.757 0.000 2.526) 21.903 27.328 ( -17.965 0.000 -21.266) 27.838 27.328 ( 17.965 0.000 -21.266) 27.838 28.043 ( -19.913 0.000 7.942) 21.438 28.043 ( 19.913 0.000 7.942) 21.438 28.519 ( -6.290 0.000 -0.186) 6.293 28.519 ( 6.290 0.000 -0.186) 6.293 28.723 ( -1.567 0.000 -12.416) 12.514 28.723 ( 1.567 0.000 -12.416) 12.514 29.205 ( -6.453 0.000 0.530) 6.475 29.205 ( 6.453 0.000 0.530) 6.475 29.627 ( -4.280 0.000 -7.705) 8.814 29.627 ( 4.280 0.000 -7.705) 8.814 29.663 ( -1.174 0.000 -10.070) 10.138 29.663 ( 1.174 0.000 -10.070) 10.138 30.006 ( -4.028 0.000 1.684) 4.366 30.006 ( 4.028 0.000 1.684) 4.366 30.523 ( -3.723 0.000 -0.186) 3.728 30.523 ( 3.723 0.000 -0.186) 3.728 30.759 ( -3.923 0.000 -0.609) 3.970 30.759 ( 3.923 0.000 -0.609) 3.970 30.884 ( -6.839 0.000 4.780) 8.344 30.884 ( 6.839 0.000 4.780) 8.344 31.397 ( -3.492 0.000 0.500) 3.528 31.397 ( 3.492 0.000 0.500) 3.528 31.605 ( -8.917 0.000 3.945) 9.751 31.605 ( 8.917 0.000 3.945) 9.751 31.872 ( -5.025 0.000 0.636) 5.065 31.872 ( 5.025 0.000 0.636) 5.065 32.232 ( -0.008 0.000 8.423) 8.423 32.232 ( 0.008 0.000 8.423) 8.423 32.313 ( -0.060 0.000 2.503) 2.504 32.313 ( 0.060 0.000 2.503) 2.504 32.842 ( -1.062 0.000 -11.767) 11.815 32.842 ( 1.062 0.000 -11.767) 11.815 33.090 ( -1.963 0.000 -0.010) 1.963 33.090 ( 1.963 0.000 -0.010) 1.963 33.292 ( -0.012 0.000 3.879) 3.879 33.292 ( 0.012 0.000 3.879) 3.879 33.715 ( -0.309 0.000 2.767) 2.785 33.715 ( 0.309 0.000 2.767) 2.785 33.801 ( -0.000 0.000 0.632) 0.632 33.801 ( 0.000 0.000 0.632) 0.632 34.696 ( -0.314 0.000 2.283) 2.304 34.696 ( 0.314 0.000 2.283) 2.304 ======================= Grid point 60 (22/54) ======================= q-point: ( 0.00 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.000 16.723 32.510) 36.559 1.064 ( 0.000 26.959 23.701) 35.896 1.526 ( 0.000 10.542 56.315) 57.293 2.024 ( 0.000 10.198 -9.659) 14.046 2.109 ( 0.000 4.359 1.661) 4.665 2.365 ( 0.000 5.669 -7.259) 9.210 2.466 ( 0.000 2.168 -4.159) 4.690 2.611 ( 0.000 -2.762 -7.945) 8.411 2.719 ( 0.000 -1.910 0.467) 1.966 2.841 ( 0.000 0.603 -0.065) 0.606 2.914 ( 0.000 3.502 0.627) 3.557 3.007 ( 0.000 1.693 10.231) 10.370 3.064 ( 0.000 2.659 4.316) 5.070 3.071 ( 0.000 1.749 5.649) 5.914 3.269 ( 0.000 1.950 -1.355) 2.375 3.301 ( 0.000 -0.203 -4.856) 4.860 3.313 ( 0.000 -1.108 -1.070) 1.540 3.412 ( 0.000 -2.950 -1.976) 3.551 3.429 ( 0.000 -2.810 -10.260) 10.638 3.495 ( 0.000 -1.709 -0.103) 1.712 3.526 ( 0.000 -4.579 -5.205) 6.932 3.636 ( 0.000 3.066 -19.597) 19.835 3.661 ( 0.000 1.939 1.136) 2.247 3.862 ( 0.000 1.276 -3.265) 3.505 4.085 ( 0.000 -1.740 7.532) 7.730 4.260 ( 0.000 2.685 4.458) 5.205 4.362 ( 0.000 -1.948 -5.049) 5.411 4.368 ( 0.000 -0.988 0.759) 1.246 4.701 ( 0.000 -6.013 2.348) 6.455 4.797 ( 0.000 -1.826 -2.591) 3.170 4.876 ( 0.000 -1.771 3.517) 3.938 4.981 ( 0.000 -3.915 1.688) 4.263 5.013 ( 0.000 -2.095 1.188) 2.409 5.023 ( 0.000 2.142 -2.474) 3.273 5.738 ( 0.000 -0.732 1.492) 1.662 5.869 ( 0.000 -1.564 -3.511) 3.843 6.078 ( 0.000 -1.650 3.447) 3.822 6.222 ( 0.000 2.672 0.929) 2.829 6.431 ( 0.000 -5.295 17.004) 17.810 6.539 ( 0.000 -0.828 11.037) 11.068 6.755 ( 0.000 -0.662 8.194) 8.221 6.795 ( 0.000 -5.727 9.688) 11.254 6.997 ( 0.000 -9.110 7.378) 11.723 7.160 ( 0.000 -8.733 0.654) 8.757 7.213 ( 0.000 -0.844 2.707) 2.836 7.325 ( 0.000 -2.320 -3.075) 3.852 7.375 ( 0.000 1.055 5.742) 5.838 7.508 ( 0.000 -2.104 -19.568) 19.681 7.635 ( 0.000 1.362 -3.217) 3.494 7.671 ( 0.000 10.211 0.746) 10.238 7.727 ( 0.000 3.026 -0.833) 3.139 8.038 ( 0.000 1.152 3.142) 3.347 8.099 ( 0.000 0.480 -13.380) 13.389 8.104 ( 0.000 8.668 0.417) 8.678 8.289 ( 0.000 2.072 3.020) 3.663 8.588 ( 0.000 -3.588 1.615) 3.935 8.642 ( 0.000 -0.064 -10.070) 10.070 8.659 ( 0.000 2.214 1.194) 2.516 8.754 ( 0.000 8.881 -7.560) 11.663 8.857 ( 0.000 -0.817 -14.770) 14.792 8.869 ( 0.000 10.659 -16.779) 19.878 9.118 ( 0.000 3.259 -6.759) 7.503 9.338 ( 0.000 0.309 -4.618) 4.628 9.576 ( 0.000 -1.310 -10.219) 10.302 9.591 ( 0.000 0.441 -24.190) 24.194 9.769 ( 0.000 -0.573 -15.735) 15.745 9.825 ( 0.000 -0.871 1.339) 1.598 9.891 ( 0.000 -0.211 0.848) 0.874 10.124 ( 0.000 -0.762 7.529) 7.567 10.407 ( 0.000 -0.300 6.534) 6.541 10.470 ( 0.000 3.904 -24.730) 25.036 10.529 ( 0.000 -0.159 13.208) 13.209 10.587 ( 0.000 -2.616 13.389) 13.642 10.641 ( 0.000 0.286 -6.137) 6.143 11.004 ( 0.000 0.057 -5.996) 5.997 11.114 ( 0.000 -7.025 1.405) 7.165 11.168 ( 0.000 -2.715 -7.328) 7.815 11.318 ( 0.000 -0.517 10.567) 10.580 11.333 ( 0.000 -1.795 -3.176) 3.648 11.410 ( 0.000 -0.063 1.428) 1.429 11.444 ( 0.000 -3.184 -0.300) 3.198 11.489 ( 0.000 -6.063 20.316) 21.201 11.583 ( 0.000 -4.561 17.918) 18.490 11.775 ( 0.000 3.922 15.422) 15.913 12.070 ( 0.000 0.618 5.125) 5.163 12.107 ( 0.000 1.519 9.808) 9.925 12.145 ( 0.000 -1.800 -1.529) 2.362 12.165 ( 0.000 2.004 -8.238) 8.478 12.212 ( 0.000 3.953 9.538) 10.325 12.249 ( 0.000 -0.861 -2.091) 2.262 12.281 ( 0.000 1.174 1.171) 1.658 12.415 ( 0.000 -4.900 1.570) 5.145 12.571 ( 0.000 4.754 -2.373) 5.313 12.618 ( 0.000 -2.267 -3.203) 3.924 12.669 ( 0.000 -4.401 -4.560) 6.337 12.794 ( 0.000 1.456 13.598) 13.676 12.810 ( 0.000 0.382 -8.476) 8.485 12.911 ( 0.000 -3.033 -2.781) 4.115 13.049 ( 0.000 0.995 2.575) 2.760 13.063 ( 0.000 1.162 -8.063) 8.147 13.290 ( 0.000 -1.470 -4.729) 4.952 13.377 ( 0.000 0.875 2.256) 2.420 13.384 ( 0.000 0.824 -4.009) 4.093 13.387 ( 0.000 0.133 -5.926) 5.928 13.496 ( 0.000 5.930 6.825) 9.042 13.558 ( 0.000 1.093 -9.761) 9.822 13.825 ( 0.000 2.955 -4.985) 5.795 13.871 ( 0.000 -4.557 -13.592) 14.336 14.082 ( 0.000 -1.590 7.841) 8.000 14.189 ( 0.000 0.675 11.041) 11.062 14.376 ( 0.000 1.359 11.755) 11.834 14.742 ( 0.000 -4.143 0.410) 4.163 14.868 ( 0.000 0.050 17.377) 17.377 14.926 ( 0.000 -1.943 3.418) 3.932 15.169 ( 0.000 0.449 -20.244) 20.249 15.208 ( 0.000 9.128 -2.909) 9.580 15.449 ( 0.000 1.844 -10.356) 10.519 15.584 ( 0.000 -3.017 -16.530) 16.803 15.787 ( 0.000 2.278 9.232) 9.509 15.815 ( 0.000 1.630 -1.610) 2.291 15.865 ( 0.000 2.960 6.727) 7.350 16.070 ( 0.000 1.313 -4.933) 5.105 16.299 ( 0.000 -0.193 -18.538) 18.539 16.365 ( 0.000 4.028 -20.428) 20.821 16.824 ( 0.000 -0.026 21.278) 21.278 17.134 ( 0.000 0.948 -1.154) 1.494 17.233 ( 0.000 -1.403 -7.274) 7.408 17.268 ( 0.000 0.154 18.142) 18.143 17.480 ( 0.000 1.605 6.922) 7.106 17.487 ( 0.000 0.171 24.973) 24.973 17.636 ( 0.000 -0.770 -10.453) 10.481 17.946 ( 0.000 -1.749 21.538) 21.609 18.032 ( 0.000 -0.396 -8.889) 8.898 18.135 ( 0.000 0.788 -4.987) 5.048 18.186 ( 0.000 -0.235 1.941) 1.956 18.229 ( 0.000 -0.931 4.980) 5.066 18.275 ( 0.000 0.506 -4.046) 4.078 18.441 ( 0.000 -0.375 -1.161) 1.220 18.516 ( 0.000 3.201 0.406) 3.226 18.583 ( 0.000 0.224 -4.015) 4.021 18.676 ( 0.000 -0.223 -12.553) 12.555 18.725 ( 0.000 0.305 -9.429) 9.434 18.884 ( 0.000 -1.047 0.896) 1.378 18.951 ( 0.000 -0.330 2.488) 2.510 19.076 ( 0.000 0.436 -2.616) 2.652 19.158 ( 0.000 0.019 -12.290) 12.290 19.478 ( 0.000 -0.823 1.923) 2.092 19.547 ( 0.000 1.770 3.657) 4.063 19.564 ( 0.000 -0.485 5.392) 5.413 19.677 ( 0.000 2.134 4.083) 4.607 20.067 ( 0.000 -0.736 11.775) 11.798 20.187 ( 0.000 0.032 10.278) 10.279 20.610 ( 0.000 0.642 -1.208) 1.368 20.771 ( 0.000 0.578 -3.488) 3.535 20.868 ( 0.000 -2.559 -6.423) 6.914 20.965 ( 0.000 -3.772 2.013) 4.276 21.003 ( 0.000 -4.188 4.718) 6.309 21.086 ( 0.000 -0.100 -10.784) 10.785 21.186 ( 0.000 -1.186 0.576) 1.318 21.216 ( 0.000 -3.153 9.076) 9.608 21.267 ( 0.000 0.434 12.535) 12.543 21.290 ( 0.000 -0.837 -6.336) 6.391 21.513 ( 0.000 0.001 -0.222) 0.222 21.732 ( 0.000 -10.746 3.459) 11.289 22.077 ( 0.000 -8.396 7.485) 11.248 22.616 ( 0.000 -5.731 -11.465) 12.817 22.682 ( 0.000 0.769 1.632) 1.805 22.691 ( 0.000 -3.797 21.689) 22.019 22.693 ( 0.000 0.750 0.341) 0.824 22.814 ( 0.000 0.139 10.306) 10.307 23.125 ( 0.000 -0.255 2.086) 2.101 23.209 ( 0.000 1.246 -2.839) 3.101 23.272 ( 0.000 -2.089 -4.418) 4.887 23.454 ( 0.000 -0.481 -10.028) 10.040 23.818 ( 0.000 0.061 2.898) 2.899 23.881 ( 0.000 -8.869 10.530) 13.767 23.989 ( 0.000 -1.251 -5.420) 5.563 24.005 ( 0.000 0.097 -9.076) 9.076 24.018 ( 0.000 -11.265 17.701) 20.981 24.389 ( 0.000 -0.097 7.288) 7.289 24.568 ( 0.000 -2.228 -2.803) 3.580 24.632 ( 0.000 0.121 -5.833) 5.835 24.658 ( 0.000 0.397 11.160) 11.167 24.765 ( 0.000 -26.786 29.593) 39.916 24.991 ( 0.000 -0.103 1.941) 1.944 25.007 ( 0.000 -0.077 0.198) 0.213 25.294 ( 0.000 0.290 17.238) 17.241 25.462 ( 0.000 -3.218 2.966) 4.376 25.633 ( 0.000 -4.410 -5.720) 7.223 25.710 ( 0.000 -1.445 -2.044) 2.504 25.877 ( 0.000 -3.479 -5.454) 6.470 25.987 ( 0.000 -0.502 -5.175) 5.199 26.194 ( 0.000 -0.141 -22.401) 22.401 26.261 ( 0.000 -6.989 -7.231) 10.056 26.759 ( 0.000 -0.865 22.179) 22.196 26.817 ( 0.000 -0.071 4.694) 4.694 26.890 ( 0.000 0.044 -0.363) 0.366 27.619 ( 0.000 0.027 -18.269) 18.269 27.867 ( 0.000 -0.231 12.555) 12.557 28.289 ( 0.000 -0.012 -5.206) 5.206 28.475 ( 0.000 -16.926 21.184) 27.115 28.685 ( 0.000 -4.356 7.715) 8.860 28.768 ( 0.000 -0.871 1.824) 2.022 28.929 ( 0.000 -16.067 1.241) 16.115 28.940 ( 0.000 -0.909 -4.344) 4.438 29.168 ( 0.000 -9.012 -10.772) 14.045 29.217 ( 0.000 -3.339 2.469) 4.153 29.313 ( 0.000 -0.345 9.702) 9.708 29.333 ( 0.000 -3.724 0.792) 3.808 29.553 ( 0.000 -1.664 1.438) 2.199 29.950 ( 0.000 -8.460 -7.412) 11.247 29.991 ( 0.000 -0.462 -21.402) 21.407 30.226 ( 0.000 -6.519 9.817) 11.784 30.597 ( 0.000 -5.004 -0.810) 5.069 30.736 ( 0.000 -1.047 11.855) 11.901 30.864 ( 0.000 -2.649 8.249) 8.664 30.967 ( 0.000 -0.209 -1.159) 1.177 31.086 ( 0.000 -6.197 -0.635) 6.230 31.142 ( 0.000 -3.060 3.128) 4.376 31.228 ( 0.000 -3.001 7.068) 7.679 31.365 ( 0.000 3.582 -4.721) 5.926 31.378 ( 0.000 -3.337 -1.352) 3.600 31.695 ( 0.000 -18.214 2.885) 18.441 31.964 ( 0.000 -15.984 -0.139) 15.984 31.986 ( 0.000 -8.509 -1.969) 8.734 32.080 ( 0.000 -13.832 7.225) 15.605 32.090 ( 0.000 -4.099 -11.412) 12.126 32.380 ( 0.000 -7.306 11.483) 13.610 32.547 ( 0.000 -18.121 -10.431) 20.909 32.648 ( 0.000 10.960 15.240) 18.772 32.824 ( 0.000 -12.778 -8.294) 15.234 33.128 ( 0.000 22.432 -6.651) 23.397 33.162 ( 0.000 -4.165 10.576) 11.367 33.354 ( 0.000 -2.468 7.327) 7.732 33.615 ( 0.000 1.958 -7.987) 8.223 33.683 ( 0.000 3.777 -8.761) 9.540 33.962 ( 0.000 6.409 9.465) 11.431 34.381 ( 0.000 10.152 -9.220) 13.714 35.086 ( 0.000 27.067 26.287) 37.731 37.372 ( 0.000 68.380 -100.417) 121.489 ======================= Grid point 61 (23/54) ======================= q-point: ( 0.25 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 20.686 15.993 18.806) 32.208 1.358 ( 21.664 12.061 25.984) 35.916 1.941 ( 17.663 4.854 17.760) 25.514 2.079 ( -2.905 7.712 8.953) 12.168 2.139 ( 16.329 4.225 13.468) 21.584 2.319 ( -5.621 5.403 -8.165) 11.290 2.388 ( 5.338 7.653 -10.351) 13.935 2.618 ( 1.679 -1.762 -5.441) 5.960 2.741 ( 0.785 0.344 3.049) 3.167 2.807 ( -5.503 0.960 -1.936) 5.912 2.919 ( -8.076 3.602 -3.383) 9.468 2.991 ( 5.575 3.555 3.536) 7.498 3.083 ( 2.874 1.080 -0.496) 3.110 3.159 ( 1.275 1.001 1.041) 1.926 3.183 ( 4.162 1.010 4.400) 6.140 3.262 ( -3.576 1.312 1.889) 4.251 3.336 ( -3.308 -2.600 -2.271) 4.782 3.378 ( -2.353 -2.546 -6.319) 7.208 3.412 ( -1.812 1.041 -1.371) 2.499 3.445 ( -5.691 -1.338 -0.841) 5.906 3.513 ( -0.365 -2.908 -3.439) 4.518 3.654 ( -0.008 2.784 1.346) 3.092 3.737 ( 6.806 -0.506 -16.183) 17.563 3.816 ( -6.554 2.993 -0.523) 7.224 4.052 ( -2.358 -0.704 0.147) 2.466 4.178 ( -18.390 -0.211 -1.665) 18.466 4.249 ( -3.497 1.418 0.931) 3.887 4.311 ( -2.500 -0.856 1.348) 2.966 4.550 ( 0.848 -3.606 3.568) 5.144 4.645 ( -2.909 -4.781 -0.334) 5.607 4.879 ( -7.205 -4.636 1.861) 8.767 4.910 ( -7.917 -3.024 1.277) 8.571 5.199 ( 11.901 0.259 0.893) 11.937 5.285 ( 17.978 -0.425 -2.899) 18.215 5.646 ( -7.488 -0.696 2.955) 8.080 5.804 ( -6.033 -1.300 -3.532) 7.110 6.265 ( 12.804 -1.473 3.999) 13.495 6.349 ( 10.263 1.921 2.357) 10.703 6.475 ( 4.997 -1.509 10.229) 11.484 6.510 ( 0.067 -4.505 12.795) 13.565 6.836 ( -0.525 -2.723 14.650) 14.910 6.859 ( 4.492 -1.013 3.416) 5.733 6.944 ( -12.700 -1.866 5.899) 14.127 7.137 ( -4.259 -4.668 -1.911) 6.601 7.174 ( -0.238 -6.570 -5.475) 8.555 7.207 ( 3.552 -3.709 1.350) 5.310 7.425 ( 0.685 -0.938 -6.662) 6.763 7.505 ( 0.637 -0.332 -6.717) 6.755 7.548 ( 5.235 4.559 -7.954) 10.557 7.788 ( 5.941 5.597 -4.360) 9.254 7.847 ( 8.916 5.564 4.704) 11.515 7.995 ( -1.451 -0.913 5.119) 5.399 8.018 ( -2.340 7.210 1.623) 7.752 8.200 ( -5.720 4.013 4.102) 8.102 8.327 ( -0.578 2.180 -10.006) 10.257 8.452 ( -10.117 -1.294 -2.650) 10.538 8.512 ( -3.175 3.284 -6.343) 7.817 8.640 ( -0.915 2.815 -3.900) 4.896 8.698 ( -1.544 2.602 -0.499) 3.066 8.825 ( 6.886 4.791 -2.459) 8.742 9.046 ( 2.418 -0.345 -5.532) 6.047 9.185 ( -13.177 -0.742 -18.107) 22.406 9.225 ( -13.949 -0.358 -19.952) 24.347 9.311 ( 6.688 -0.313 -13.238) 14.835 9.649 ( 7.067 -1.154 -5.149) 8.819 9.818 ( 2.278 0.076 -12.102) 12.315 9.913 ( -5.320 -0.435 5.032) 7.336 9.965 ( 1.963 -0.217 6.076) 6.389 9.976 ( -12.238 0.265 8.929) 15.152 10.291 ( 7.471 -3.745 4.077) 9.298 10.427 ( -10.739 -1.472 8.430) 13.731 10.464 ( -8.389 0.620 -19.019) 20.796 10.572 ( -0.128 -2.332 5.342) 5.831 10.684 ( 0.981 -2.093 4.009) 4.627 10.736 ( -7.314 -2.126 6.730) 10.164 11.003 ( -5.456 -1.898 -6.026) 8.347 11.183 ( 2.861 -1.909 -6.523) 7.374 11.331 ( 1.454 -1.711 -7.618) 7.942 11.377 ( -2.730 -4.652 5.603) 7.777 11.421 ( 0.346 -1.278 0.415) 1.388 11.470 ( 2.682 -0.112 7.467) 7.935 11.553 ( 2.077 -2.132 15.048) 15.340 11.714 ( 5.896 -2.638 1.670) 6.672 11.900 ( 4.876 -0.926 7.288) 8.817 12.004 ( -0.568 3.161 -1.080) 3.389 12.086 ( 0.255 -5.398 7.980) 9.638 12.143 ( -0.461 0.023 16.068) 16.075 12.198 ( 1.487 -0.224 -0.570) 1.608 12.270 ( 0.270 4.343 -0.399) 4.370 12.283 ( -4.911 2.697 -1.830) 5.894 12.341 ( 7.801 1.928 1.220) 8.127 12.359 ( 4.987 2.924 1.725) 6.033 12.484 ( -4.587 0.035 3.510) 5.776 12.552 ( -1.322 -1.534 -1.385) 2.454 12.679 ( 1.458 -1.755 -0.157) 2.287 12.750 ( -10.922 -0.189 3.395) 11.439 12.816 ( 1.532 0.572 -6.711) 6.907 12.942 ( 4.355 1.642 -6.550) 8.036 12.972 ( -5.898 1.232 -3.038) 6.747 13.143 ( 10.335 -2.283 3.067) 11.020 13.266 ( 2.822 -1.335 -2.170) 3.802 13.379 ( -11.314 1.651 -4.942) 12.456 13.430 ( 3.175 -2.435 0.225) 4.007 13.481 ( 5.779 2.547 -0.679) 6.352 13.492 ( 4.028 1.104 0.881) 4.268 13.754 ( 9.155 1.059 4.778) 10.381 13.793 ( -5.344 -0.376 -7.739) 9.412 13.972 ( 7.528 0.885 -1.874) 7.808 14.140 ( 10.906 -2.399 7.889) 13.672 14.309 ( 12.044 1.885 4.248) 12.909 14.342 ( -3.209 -0.655 11.026) 11.502 14.675 ( -8.756 2.548 1.586) 9.256 14.887 ( 2.663 -2.211 4.645) 5.792 14.982 ( 2.545 -0.418 3.643) 4.464 15.115 ( -0.291 2.656 -9.393) 9.765 15.205 ( 0.728 3.664 -5.911) 6.993 15.391 ( -4.754 0.328 -8.463) 9.713 15.513 ( -6.958 -1.978 -13.744) 15.531 15.598 ( -12.165 1.766 1.637) 12.401 15.851 ( 5.450 1.187 0.768) 5.630 15.946 ( 0.807 1.707 1.250) 2.264 15.978 ( 2.700 2.894 -1.873) 4.379 16.195 ( -16.378 2.096 -6.380) 17.701 16.431 ( -10.548 0.712 -5.537) 11.934 16.754 ( -1.627 0.422 2.888) 3.341 16.827 ( -1.233 0.012 -6.327) 6.446 17.058 ( -3.706 1.276 -9.569) 10.341 17.454 ( -8.724 -2.110 -4.742) 10.151 17.508 ( 2.349 0.543 16.922) 17.093 17.646 ( 12.017 0.465 4.797) 12.948 17.767 ( 9.742 1.038 8.765) 13.146 17.957 ( 5.481 0.254 10.280) 11.653 18.033 ( -5.091 1.249 -0.451) 5.261 18.070 ( -8.656 0.267 7.437) 11.415 18.219 ( -0.962 -0.981 -0.438) 1.442 18.289 ( 5.240 0.170 2.784) 5.936 18.322 ( 4.589 -2.545 -8.468) 9.962 18.405 ( 2.305 -1.104 -2.453) 3.543 18.468 ( -1.883 2.131 -0.831) 2.963 18.623 ( -2.646 0.183 -6.828) 7.325 18.703 ( 2.687 -0.562 -8.437) 8.873 18.737 ( 2.356 0.795 -5.883) 6.387 18.901 ( 1.230 -1.329 -0.103) 1.814 18.940 ( -1.315 -0.836 2.947) 3.333 19.116 ( 3.198 -0.554 -1.981) 3.802 19.190 ( 2.377 0.770 -10.540) 10.832 19.544 ( 5.370 -0.660 5.027) 7.386 19.622 ( 4.361 -0.677 7.341) 8.566 19.686 ( 12.640 0.888 5.253) 13.717 19.873 ( 15.644 0.952 6.459) 16.952 20.109 ( 5.150 0.285 5.394) 7.463 20.243 ( 3.748 0.392 2.349) 4.441 20.517 ( -5.857 -0.033 1.121) 5.964 20.649 ( -10.730 0.401 0.187) 10.739 20.727 ( -13.787 -3.235 10.319) 17.523 20.898 ( 1.500 -1.103 -10.176) 10.345 20.986 ( 1.491 -0.011 -0.001) 1.491 21.010 ( -12.440 -0.845 -2.924) 12.807 21.073 ( -1.364 -1.400 -0.094) 1.957 21.211 ( 0.107 -1.136 7.841) 7.924 21.282 ( -4.649 -1.688 -7.344) 8.854 21.371 ( -0.259 -1.928 -1.346) 2.365 21.524 ( -9.547 -3.597 6.933) 12.335 21.571 ( 5.748 -0.940 4.283) 7.230 22.274 ( 4.631 -1.887 -0.841) 5.071 22.323 ( -8.177 -0.113 -1.697) 8.352 22.473 ( -6.490 -4.179 17.506) 19.132 22.620 ( -7.708 -0.952 9.900) 12.583 22.904 ( 6.030 -2.059 -3.850) 7.445 22.957 ( 8.810 0.493 1.400) 8.934 23.096 ( -3.311 0.404 -1.959) 3.868 23.270 ( 7.072 -0.172 0.385) 7.084 23.376 ( -5.762 -0.323 -8.184) 10.014 23.397 ( 5.232 -2.953 -1.928) 6.310 23.563 ( -6.492 -1.493 17.821) 19.026 23.796 ( -1.972 0.771 0.932) 2.314 23.917 ( -6.002 -1.551 3.062) 6.914 23.927 ( -3.898 0.737 0.360) 3.983 24.128 ( 3.639 -2.361 -4.496) 6.247 24.401 ( -7.410 -2.465 2.188) 8.110 24.441 ( -8.009 0.286 -7.064) 10.683 24.531 ( -10.772 -1.086 -1.721) 10.963 24.543 ( 3.483 -0.077 5.396) 6.423 24.729 ( 3.583 0.803 1.190) 3.860 24.937 ( 1.542 0.562 6.381) 6.589 25.267 ( 6.940 -0.853 0.381) 7.002 25.407 ( -17.098 0.616 -9.606) 19.621 25.664 ( -2.139 -3.529 -16.993) 17.486 25.724 ( 14.982 -1.877 9.342) 17.755 25.876 ( -0.288 -0.657 -1.291) 1.477 25.936 ( 15.880 -0.289 5.451) 16.792 26.300 ( 27.759 -16.727 1.316) 32.436 26.509 ( 18.245 -2.438 -12.333) 22.157 26.645 ( -7.240 -2.335 20.363) 21.737 26.778 ( 46.030 -28.131 -13.310) 55.563 26.897 ( 1.794 -0.612 -0.439) 1.945 26.943 ( 17.145 -4.353 -7.833) 19.345 27.566 ( -5.982 -0.100 -20.262) 21.127 27.878 ( -9.109 -3.993 14.032) 17.199 28.168 ( -1.651 -21.764 18.231) 28.439 28.332 ( 1.715 -0.932 -5.358) 5.702 28.602 ( -24.063 -8.686 2.004) 25.661 28.671 ( -10.188 -2.089 2.309) 10.653 28.795 ( -6.313 -2.400 -3.827) 7.763 28.978 ( 3.773 -9.601 5.509) 11.695 29.127 ( 5.917 -2.528 10.408) 12.236 29.164 ( 2.001 -18.014 -1.217) 18.166 29.362 ( 5.150 -2.308 -7.473) 9.364 29.499 ( 9.582 -1.337 -1.677) 9.819 29.657 ( 0.740 -5.512 -5.456) 7.791 29.997 ( -3.811 -5.049 -1.394) 6.477 30.044 ( 4.792 -7.219 -4.742) 9.877 30.301 ( 10.098 -2.099 -1.424) 10.412 30.466 ( -8.469 -6.077 3.806) 11.097 30.770 ( -2.359 -0.225 0.715) 2.475 30.778 ( 1.834 -1.399 10.240) 10.496 30.935 ( -11.515 -1.185 -1.588) 11.685 30.999 ( -3.511 -2.614 2.154) 4.879 31.210 ( 3.183 -6.061 2.314) 7.226 31.241 ( 10.073 -3.909 6.678) 12.702 31.401 ( 0.926 -4.981 -0.699) 5.114 31.537 ( 10.458 0.324 0.280) 10.467 31.659 ( -4.974 -15.811 3.757) 16.995 31.948 ( -2.629 -10.404 6.533) 12.563 31.987 ( 0.433 -13.832 -1.661) 13.938 32.032 ( -0.059 -18.256 0.051) 18.257 32.140 ( 0.425 -0.850 -6.326) 6.397 32.387 ( 2.050 -6.221 8.480) 10.716 32.455 ( -6.053 -7.855 -5.685) 11.431 32.635 ( -3.259 -8.659 3.722) 9.973 32.843 ( 0.928 -7.868 -5.875) 9.863 33.020 ( -4.974 7.105 -6.022) 10.559 33.187 ( 1.636 -1.856 11.599) 11.860 33.381 ( 1.922 -2.779 8.051) 8.732 33.672 ( 2.170 -1.615 -6.148) 6.717 33.796 ( 7.275 12.336 -15.789) 21.316 34.023 ( 5.762 11.245 12.228) 17.583 34.496 ( 11.586 22.927 -2.159) 25.778 35.023 ( -2.097 26.327 15.870) 30.811 36.548 ( -62.921 75.141 -54.252) 112.020 ======================= Grid point 62 (24/54) ======================= q-point: (-0.50 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.000 3.855 19.425) 19.804 1.698 ( -0.000 3.094 9.883) 10.356 1.752 ( 0.000 7.646 19.101) 20.574 1.924 ( 0.000 11.888 15.578) 19.596 2.334 ( 0.000 1.852 -10.678) 10.838 2.509 ( 0.000 5.230 -13.555) 14.529 2.597 ( 0.000 8.106 -4.651) 9.346 2.605 ( -0.000 4.095 -6.037) 7.295 2.704 ( 0.000 -1.268 -10.440) 10.517 2.755 ( 0.000 0.152 0.899) 0.912 2.968 ( -0.000 1.567 6.799) 6.977 3.019 ( 0.000 3.732 4.575) 5.904 3.136 ( -0.000 1.349 4.296) 4.502 3.137 ( 0.000 1.659 5.665) 5.903 3.229 ( 0.000 -0.526 -0.121) 0.539 3.233 ( -0.000 1.487 1.366) 2.019 3.279 ( 0.000 2.971 1.456) 3.308 3.310 ( -0.000 0.698 1.206) 1.393 3.332 ( -0.000 0.553 1.267) 1.383 3.364 ( 0.000 2.768 1.147) 2.996 3.567 ( -0.000 -7.064 -8.528) 11.074 3.573 ( 0.000 -0.269 1.832) 1.852 3.680 ( 0.000 5.097 6.357) 8.148 3.805 ( 0.000 2.231 -7.981) 8.287 3.997 ( 0.000 -1.500 -5.522) 5.722 4.010 ( -0.000 -0.346 -10.651) 10.657 4.233 ( 0.000 -1.797 1.830) 2.565 4.291 ( 0.000 0.039 1.638) 1.639 4.601 ( 0.000 -4.887 2.681) 5.575 4.625 ( -0.000 -3.876 2.833) 4.801 4.782 ( 0.000 -3.506 0.097) 3.507 4.797 ( 0.000 -2.586 -0.044) 2.586 5.364 ( 0.000 -2.385 -0.060) 2.385 5.444 ( 0.000 0.725 -0.080) 0.729 5.620 ( 0.000 -1.829 -0.125) 1.833 5.661 ( -0.000 0.034 -0.267) 0.270 6.449 ( 0.000 -1.049 12.468) 12.512 6.506 ( 0.000 -2.319 5.287) 5.773 6.531 ( 0.000 -5.082 3.211) 6.011 6.557 ( -0.000 -0.659 12.485) 12.503 6.690 ( 0.000 0.025 9.716) 9.716 6.734 ( 0.000 1.004 8.731) 8.789 6.977 ( 0.000 -0.450 -8.102) 8.115 7.004 ( 0.000 0.722 -4.270) 4.331 7.159 ( 0.000 -1.383 -11.704) 11.786 7.285 ( 0.000 0.382 -4.108) 4.126 7.516 ( -0.000 -0.711 -0.779) 1.054 7.560 ( 0.000 2.803 -1.188) 3.045 7.745 ( 0.000 -2.412 1.085) 2.644 7.806 ( -0.000 -2.224 7.261) 7.594 7.925 ( -0.000 0.350 -2.196) 2.224 7.935 ( 0.000 3.003 -2.789) 4.098 8.045 ( 0.000 6.346 -2.459) 6.806 8.125 ( 0.000 9.242 2.609) 9.604 8.244 ( -0.000 -1.086 -1.175) 1.601 8.330 ( 0.000 1.089 -2.150) 2.410 8.551 ( 0.000 -1.572 -8.750) 8.890 8.639 ( 0.000 2.509 -8.234) 8.608 8.730 ( 0.000 -2.960 -1.755) 3.441 8.794 ( 0.000 2.600 -12.212) 12.486 8.903 ( 0.000 1.215 -2.947) 3.187 8.930 ( -0.000 -0.125 6.185) 6.186 9.311 ( -0.000 -2.932 -12.429) 12.770 9.434 ( 0.000 1.609 -10.988) 11.105 9.659 ( 0.000 -1.646 7.103) 7.291 9.694 ( -0.000 -1.764 -0.668) 1.887 9.898 ( 0.000 1.945 -2.129) 2.883 9.952 ( 0.000 2.948 -13.458) 13.777 10.113 ( 0.000 -6.467 -4.135) 7.676 10.206 ( -0.000 -3.144 0.663) 3.214 10.259 ( -0.000 -2.011 0.914) 2.209 10.313 ( 0.000 -1.649 -1.983) 2.579 10.701 ( -0.000 -2.603 6.521) 7.022 10.728 ( 0.000 -1.041 8.868) 8.929 10.777 ( 0.000 -1.973 0.835) 2.142 10.816 ( 0.000 -0.157 1.063) 1.075 11.267 ( 0.000 -5.051 -2.124) 5.479 11.304 ( -0.000 -3.678 -6.575) 7.533 11.369 ( 0.000 -3.737 -1.975) 4.227 11.426 ( 0.000 -0.672 -1.456) 1.603 11.512 ( 0.000 0.747 9.723) 9.752 11.517 ( -0.000 0.429 2.594) 2.629 11.791 ( 0.000 -2.555 -7.110) 7.555 11.843 ( -0.000 -0.564 -5.517) 5.546 12.047 ( -0.000 -5.688 3.685) 6.778 12.083 ( 0.000 2.376 5.549) 6.037 12.156 ( -0.000 4.025 11.854) 12.518 12.184 ( 0.000 -2.132 10.172) 10.393 12.216 ( 0.000 -1.620 8.997) 9.142 12.405 ( 0.000 1.549 -1.907) 2.457 12.410 ( 0.000 -0.624 2.800) 2.869 12.434 ( -0.000 3.840 8.134) 8.995 12.477 ( -0.000 1.831 4.830) 5.165 12.488 ( 0.000 5.766 1.677) 6.004 12.627 ( 0.000 -0.175 -0.408) 0.444 12.740 ( 0.000 4.294 2.279) 4.861 12.797 ( 0.000 -2.708 -7.167) 7.662 12.873 ( 0.000 0.375 -7.564) 7.574 13.097 ( 0.000 0.590 -8.612) 8.633 13.132 ( -0.000 1.939 -6.125) 6.425 13.259 ( 0.000 -6.828 4.170) 8.001 13.366 ( 0.000 -1.765 2.909) 3.402 13.424 ( 0.000 0.889 1.868) 2.069 13.450 ( 0.000 -2.865 -0.068) 2.866 13.627 ( 0.000 5.448 0.904) 5.522 13.694 ( -0.000 5.419 1.124) 5.534 13.895 ( -0.000 -2.148 1.718) 2.751 14.013 ( 0.000 0.280 -1.763) 1.785 14.295 ( 0.000 -4.411 8.844) 9.883 14.325 ( 0.000 -4.195 8.220) 9.229 14.500 ( 0.000 5.487 3.120) 6.312 14.504 ( -0.000 5.306 2.478) 5.856 14.883 ( 0.000 0.735 1.401) 1.582 15.013 ( 0.000 4.348 0.385) 4.365 15.183 ( 0.000 -1.494 -5.202) 5.413 15.296 ( -0.000 0.104 -8.026) 8.027 15.317 ( 0.000 -1.535 -10.524) 10.635 15.357 ( 0.000 1.892 -8.635) 8.840 15.593 ( 0.000 -2.433 0.078) 2.435 15.712 ( -0.000 2.522 3.013) 3.929 15.989 ( 0.000 1.706 1.771) 2.459 16.030 ( -0.000 2.764 1.150) 2.993 16.068 ( 0.000 -0.810 2.566) 2.690 16.157 ( -0.000 2.212 4.045) 4.611 16.809 ( 0.000 0.398 -16.495) 16.499 16.812 ( -0.000 0.455 -15.952) 15.959 17.165 ( -0.000 0.050 -11.910) 11.910 17.174 ( 0.000 0.386 -14.905) 14.910 17.634 ( -0.000 -2.860 16.693) 16.937 17.777 ( 0.000 2.871 14.037) 14.327 17.846 ( 0.000 0.185 6.981) 6.984 17.862 ( 0.000 1.340 8.908) 9.008 18.037 ( 0.000 0.148 7.126) 7.128 18.047 ( 0.000 0.600 7.060) 7.086 18.190 ( 0.000 -2.178 -6.538) 6.892 18.260 ( 0.000 0.857 -3.778) 3.874 18.425 ( 0.000 0.960 0.774) 1.233 18.430 ( -0.000 2.058 0.449) 2.107 18.520 ( -0.000 -1.419 -8.575) 8.692 18.537 ( 0.000 -0.135 -3.383) 3.386 18.736 ( -0.000 -0.547 -5.937) 5.962 18.759 ( 0.000 0.467 -4.112) 4.138 18.917 ( -0.000 -1.148 0.944) 1.487 18.917 ( 0.000 -2.216 5.873) 6.277 19.159 ( 0.000 -0.866 -5.160) 5.232 19.216 ( 0.000 1.767 -6.595) 6.828 19.640 ( -0.000 -0.990 11.714) 11.756 19.640 ( 0.000 -1.339 12.401) 12.473 19.944 ( 0.000 0.458 5.505) 5.524 19.950 ( -0.000 0.513 5.358) 5.383 20.246 ( -0.000 0.347 -2.199) 2.226 20.291 ( 0.000 2.214 -1.376) 2.606 20.509 ( -0.000 -1.732 8.539) 8.713 20.527 ( 0.000 -0.471 9.139) 9.151 20.606 ( 0.000 -1.020 -10.523) 10.572 20.653 ( -0.000 0.629 -10.109) 10.129 20.964 ( -0.000 -2.780 -4.372) 5.181 21.021 ( 0.000 -0.578 -5.508) 5.538 21.172 ( 0.000 -1.085 0.460) 1.179 21.197 ( 0.000 -1.084 5.975) 6.073 21.222 ( -0.000 -1.164 7.733) 7.820 21.237 ( 0.000 1.184 1.269) 1.736 21.524 ( -0.000 -1.929 -5.466) 5.796 21.541 ( 0.000 -1.370 -4.712) 4.907 22.178 ( 0.000 -2.362 15.199) 15.381 22.240 ( -0.000 0.238 14.952) 14.954 22.575 ( 0.000 -1.516 -0.542) 1.610 22.617 ( 0.000 0.360 -0.007) 0.361 22.901 ( 0.000 -1.656 -3.732) 4.083 22.911 ( 0.000 -1.185 -3.579) 3.770 23.236 ( -0.000 -0.120 -0.923) 0.931 23.255 ( 0.000 0.492 -1.910) 1.973 23.355 ( -0.000 -1.124 2.625) 2.855 23.376 ( 0.000 -0.457 3.074) 3.108 23.687 ( -0.000 -1.237 3.106) 3.343 23.697 ( 0.000 -1.268 4.937) 5.098 23.853 ( 0.000 -0.047 3.422) 3.422 23.858 ( -0.000 0.406 3.427) 3.451 24.239 ( 0.000 -2.032 -8.123) 8.373 24.263 ( -0.000 -0.971 -5.839) 5.919 24.338 ( -0.000 -0.763 -5.311) 5.366 24.353 ( 0.000 -0.092 -3.066) 3.068 24.673 ( -0.000 0.233 7.217) 7.221 24.691 ( 0.000 1.139 6.578) 6.676 25.102 ( -0.000 0.861 -3.556) 3.659 25.106 ( 0.000 0.801 -3.728) 3.813 25.476 ( 0.000 -1.382 -9.252) 9.355 25.500 ( -0.000 -0.317 -9.959) 9.964 25.856 ( 0.000 -1.031 -0.589) 1.187 25.879 ( -0.000 0.011 -1.167) 1.167 26.283 ( 0.000 -1.966 17.142) 17.255 26.309 ( -0.000 -0.254 16.289) 16.291 26.654 ( -0.000 -4.000 -0.233) 4.007 26.708 ( 0.000 -1.093 3.102) 3.289 27.072 ( 0.000 -7.145 -2.489) 7.566 27.096 ( -0.000 -5.067 0.894) 5.145 27.305 ( -0.000 -1.717 -20.494) 20.566 27.336 ( 0.000 -0.302 -20.252) 20.254 27.857 ( -0.000 -17.181 2.590) 17.375 28.008 ( 0.000 -8.852 0.404) 8.861 28.383 ( 0.000 -22.030 -4.060) 22.401 28.513 ( 0.000 -0.499 -1.611) 1.686 28.547 ( -0.000 -2.769 -0.215) 2.777 28.703 ( 0.000 -9.471 -7.198) 11.896 29.030 ( -0.000 -13.632 8.463) 16.045 29.033 ( 0.000 -25.055 7.640) 26.194 29.330 ( -0.000 -6.307 7.606) 9.880 29.435 ( 0.000 -11.461 3.365) 11.944 29.627 ( 0.000 -2.920 -13.050) 13.373 29.644 ( -0.000 -1.904 -12.731) 12.873 29.955 ( 0.000 -4.124 1.484) 4.383 29.971 ( -0.000 -3.585 1.987) 4.099 30.410 ( 0.000 -5.365 1.408) 5.547 30.463 ( 0.000 -4.859 2.342) 5.394 30.756 ( -0.000 -0.084 0.163) 0.183 30.762 ( 0.000 0.171 -1.508) 1.518 30.869 ( -0.000 -1.093 5.930) 6.030 30.890 ( 0.000 -0.031 3.740) 3.741 31.257 ( 0.000 -9.193 0.526) 9.208 31.396 ( 0.000 -5.448 -1.362) 5.616 31.472 ( -0.000 -12.001 8.131) 14.496 31.491 ( 0.000 -6.334 5.491) 8.383 31.673 ( 0.000 -2.539 3.682) 4.472 31.916 ( 0.000 -10.428 11.477) 15.507 31.975 ( 0.000 -15.994 -2.708) 16.222 32.042 ( 0.000 -16.530 0.705) 16.545 32.133 ( 0.000 0.351 -6.644) 6.654 32.380 ( 0.000 -5.506 -4.210) 6.931 32.454 ( 0.000 -8.616 2.749) 9.044 32.561 ( -0.000 -13.799 0.017) 13.799 32.843 ( 0.000 -7.760 -4.000) 8.730 32.990 ( 0.000 -2.310 -7.864) 8.196 33.204 ( 0.000 -0.477 11.531) 11.541 33.402 ( 0.000 -3.073 8.938) 9.451 33.699 ( 0.000 0.273 -6.295) 6.301 33.854 ( 0.000 8.080 -18.201) 19.914 34.114 ( 0.000 18.948 16.884) 25.379 34.611 ( 0.000 25.660 14.833) 29.639 35.275 ( 0.000 51.487 -20.988) 55.600 35.576 ( -0.000 53.265 -13.311) 54.903 ======================= Grid point 65 (25/54) ======================= q-point: ( 0.00 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 20.638 22.623) 30.622 1.609 ( 0.000 22.590 22.477) 31.867 1.857 ( 0.000 24.051 30.020) 38.467 2.221 ( 0.000 5.855 -3.853) 7.009 2.255 ( 0.000 9.256 -1.117) 9.323 2.492 ( 0.000 5.916 2.107) 6.280 2.537 ( 0.000 7.077 -6.725) 9.763 2.608 ( 0.000 3.734 -10.104) 10.772 2.716 ( 0.000 2.923 -2.177) 3.644 2.866 ( 0.000 1.828 -0.702) 1.958 2.993 ( 0.000 4.038 -4.300) 5.898 3.033 ( 0.000 -0.118 5.516) 5.517 3.114 ( 0.000 1.216 1.405) 1.858 3.139 ( 0.000 5.440 5.945) 8.058 3.252 ( 0.000 -4.621 -3.481) 5.785 3.253 ( 0.000 -3.836 -10.748) 11.412 3.306 ( 0.000 -0.943 -2.335) 2.518 3.350 ( 0.000 1.119 1.167) 1.617 3.445 ( 0.000 4.515 -1.396) 4.726 3.476 ( 0.000 0.266 -0.081) 0.278 3.488 ( 0.000 -0.219 -0.411) 0.465 3.666 ( 0.000 -1.769 5.940) 6.197 3.696 ( 0.000 2.843 -11.769) 12.107 3.875 ( 0.000 0.191 -2.902) 2.908 4.027 ( 0.000 -3.641 6.153) 7.150 4.290 ( 0.000 -5.292 -4.797) 7.143 4.319 ( 0.000 2.176 1.830) 2.843 4.334 ( 0.000 -2.413 1.279) 2.731 4.557 ( 0.000 -8.324 6.628) 10.640 4.700 ( 0.000 -6.447 -0.669) 6.482 4.868 ( 0.000 1.078 3.517) 3.679 4.878 ( 0.000 -6.696 0.947) 6.763 4.974 ( 0.000 -1.579 -2.806) 3.220 5.062 ( 0.000 1.577 -4.123) 4.415 5.717 ( 0.000 -1.325 0.618) 1.462 5.829 ( 0.000 -2.515 -3.660) 4.441 6.045 ( 0.000 -1.627 7.985) 8.149 6.273 ( 0.000 2.093 1.970) 2.875 6.362 ( 0.000 -2.383 13.679) 13.885 6.523 ( 0.000 -0.678 8.416) 8.443 6.687 ( 0.000 -6.122 6.216) 8.724 6.736 ( 0.000 -1.126 5.462) 5.577 6.828 ( 0.000 -7.224 16.433) 17.950 6.938 ( 0.000 -11.702 -2.962) 12.071 7.182 ( 0.000 -2.314 1.828) 2.949 7.287 ( 0.000 -2.873 1.022) 3.049 7.406 ( 0.000 2.024 5.383) 5.751 7.419 ( 0.000 -5.613 -23.909) 24.559 7.655 ( 0.000 0.237 -3.651) 3.659 7.726 ( 0.000 0.581 -1.324) 1.446 7.918 ( 0.000 8.966 3.054) 9.472 8.058 ( 0.000 0.855 8.760) 8.802 8.112 ( 0.000 0.737 -12.862) 12.883 8.233 ( 0.000 3.354 -6.016) 6.888 8.377 ( 0.000 4.840 -1.791) 5.161 8.520 ( 0.000 -0.844 5.259) 5.326 8.641 ( 0.000 -0.024 -10.229) 10.230 8.707 ( 0.000 1.633 -0.319) 1.664 8.836 ( 0.000 -1.148 -15.056) 15.099 8.851 ( 0.000 3.549 3.474) 4.966 8.953 ( 0.000 -1.790 -20.558) 20.636 9.152 ( 0.000 -0.338 -7.389) 7.397 9.338 ( 0.000 -0.437 -3.331) 3.360 9.544 ( 0.000 -1.461 -7.921) 8.054 9.601 ( 0.000 0.426 -22.777) 22.781 9.748 ( 0.000 -1.300 -16.398) 16.449 9.805 ( 0.000 -1.016 0.810) 1.299 9.880 ( 0.000 -1.045 0.328) 1.095 10.103 ( 0.000 -1.247 9.433) 9.515 10.400 ( 0.000 -0.377 6.586) 6.597 10.446 ( 0.000 -5.101 -16.279) 17.060 10.526 ( 0.000 -0.209 14.308) 14.309 10.527 ( 0.000 -2.998 10.534) 10.952 10.642 ( 0.000 -0.172 -6.243) 6.245 10.940 ( 0.000 -9.318 -0.220) 9.320 10.996 ( 0.000 -1.120 -0.202) 1.138 11.089 ( 0.000 -5.048 -5.753) 7.653 11.271 ( 0.000 -5.195 7.702) 9.290 11.276 ( 0.000 -4.022 -5.374) 6.713 11.352 ( 0.000 -6.072 11.700) 13.181 11.376 ( 0.000 -2.861 1.181) 3.095 11.410 ( 0.000 0.005 -0.547) 0.547 11.515 ( 0.000 -1.582 13.307) 13.401 11.847 ( 0.000 2.852 19.013) 19.226 12.022 ( 0.000 -5.205 13.629) 14.590 12.115 ( 0.000 0.966 4.092) 4.205 12.157 ( 0.000 1.795 8.888) 9.067 12.200 ( 0.000 -0.549 0.497) 0.741 12.212 ( 0.000 -2.715 -13.665) 13.932 12.288 ( 0.000 1.559 -1.254) 2.001 12.306 ( 0.000 2.509 3.059) 3.957 12.309 ( 0.000 -3.073 6.620) 7.299 12.521 ( 0.000 -4.756 -2.104) 5.201 12.637 ( 0.000 -1.605 -4.655) 4.924 12.682 ( 0.000 5.567 -5.565) 7.872 12.803 ( 0.000 -0.236 -8.149) 8.152 12.831 ( 0.000 2.364 14.304) 14.498 12.858 ( 0.000 -2.053 -1.191) 2.373 13.061 ( 0.000 -1.376 -6.831) 6.968 13.067 ( 0.000 0.552 2.662) 2.718 13.280 ( 0.000 0.151 -3.089) 3.093 13.337 ( 0.000 -3.609 6.102) 7.090 13.396 ( 0.000 -0.726 -9.448) 9.476 13.398 ( 0.000 0.123 -5.109) 5.111 13.588 ( 0.000 1.960 -7.898) 8.138 13.610 ( 0.000 5.068 7.084) 8.711 13.768 ( 0.000 -4.847 -12.924) 13.803 13.901 ( 0.000 4.317 -2.959) 5.234 14.042 ( 0.000 -2.261 10.145) 10.394 14.205 ( 0.000 0.943 7.677) 7.734 14.405 ( 0.000 1.470 12.365) 12.452 14.655 ( 0.000 -3.639 0.190) 3.644 14.877 ( 0.000 0.753 15.810) 15.827 14.927 ( 0.000 1.295 2.481) 2.799 15.184 ( 0.000 0.959 -20.493) 20.516 15.380 ( 0.000 7.535 -8.071) 11.041 15.448 ( 0.000 -1.905 -10.214) 10.391 15.523 ( 0.000 -2.786 -14.479) 14.745 15.834 ( 0.000 0.088 0.687) 0.693 15.869 ( 0.000 5.442 9.103) 10.606 15.931 ( 0.000 3.151 7.370) 8.016 16.082 ( 0.000 -0.061 -1.613) 1.614 16.300 ( 0.000 0.483 -17.165) 17.172 16.455 ( 0.000 4.265 -17.770) 18.274 16.824 ( 0.000 0.124 18.552) 18.552 17.161 ( 0.000 1.600 -2.397) 2.882 17.208 ( 0.000 -1.020 -7.070) 7.143 17.272 ( 0.000 0.215 18.357) 18.358 17.489 ( 0.000 -1.427 -4.387) 4.613 17.496 ( 0.000 0.653 20.878) 20.888 17.649 ( 0.000 2.693 -0.875) 2.832 17.934 ( 0.000 0.559 22.004) 22.011 18.024 ( 0.000 -0.349 -9.138) 9.145 18.150 ( 0.000 0.543 0.472) 0.720 18.176 ( 0.000 -0.694 1.901) 2.024 18.213 ( 0.000 -0.692 3.198) 3.272 18.283 ( 0.000 0.081 -7.251) 7.252 18.429 ( 0.000 -0.701 -1.118) 1.320 18.589 ( 0.000 0.385 -3.916) 3.935 18.591 ( 0.000 3.897 -1.758) 4.276 18.673 ( 0.000 -0.069 -11.791) 11.791 18.734 ( 0.000 0.554 -7.349) 7.370 18.870 ( 0.000 -0.322 0.471) 0.571 18.943 ( 0.000 -0.450 2.963) 2.997 19.087 ( 0.000 0.606 -3.331) 3.385 19.157 ( 0.000 -0.165 -10.730) 10.731 19.467 ( 0.000 -0.306 4.203) 4.214 19.555 ( 0.000 -0.420 7.213) 7.225 19.582 ( 0.000 1.606 4.621) 4.892 19.726 ( 0.000 2.590 2.355) 3.501 20.052 ( 0.000 -0.734 13.761) 13.780 20.187 ( 0.000 0.003 10.518) 10.518 20.620 ( 0.000 -0.137 0.098) 0.168 20.757 ( 0.000 -5.804 12.304) 13.604 20.788 ( 0.000 1.012 -4.135) 4.257 20.881 ( 0.000 -1.945 -8.072) 8.303 20.981 ( 0.000 -0.751 0.926) 1.192 21.084 ( 0.000 -0.108 -11.033) 11.034 21.126 ( 0.000 -4.634 12.113) 12.969 21.158 ( 0.000 -1.754 -2.676) 3.199 21.272 ( 0.000 -1.069 -6.525) 6.612 21.279 ( 0.000 0.729 12.056) 12.078 21.511 ( 0.000 -0.217 0.306) 0.375 21.585 ( 0.000 -3.169 5.616) 6.449 21.978 ( 0.000 -2.998 -4.720) 5.591 22.472 ( 0.000 -7.820 -12.463) 14.714 22.660 ( 0.000 0.320 18.441) 18.444 22.702 ( 0.000 1.104 2.631) 2.853 22.716 ( 0.000 1.532 0.610) 1.649 22.823 ( 0.000 0.918 8.041) 8.093 23.124 ( 0.000 0.190 3.049) 3.055 23.219 ( 0.000 -3.032 -4.022) 5.037 23.243 ( 0.000 2.068 -3.907) 4.421 23.448 ( 0.000 -0.020 -12.069) 12.069 23.611 ( 0.000 -8.876 28.742) 30.081 23.843 ( 0.000 1.562 2.508) 2.954 23.962 ( 0.000 -1.260 -4.542) 4.713 24.009 ( 0.000 0.242 -9.202) 9.206 24.010 ( 0.000 3.099 -2.363) 3.897 24.388 ( 0.000 0.008 7.324) 7.324 24.495 ( 0.000 -1.687 7.841) 8.021 24.635 ( 0.000 0.170 -5.650) 5.653 24.636 ( 0.000 0.281 -6.020) 6.026 24.670 ( 0.000 0.318 10.160) 10.165 24.988 ( 0.000 -0.151 1.970) 1.976 25.005 ( 0.000 -0.089 0.168) 0.190 25.302 ( 0.000 0.515 17.002) 17.009 25.366 ( 0.000 -6.066 2.482) 6.554 25.522 ( 0.000 -5.532 -1.508) 5.734 25.698 ( 0.000 0.147 -10.916) 10.917 25.860 ( 0.000 0.216 -10.684) 10.686 25.974 ( 0.000 -0.644 -3.124) 3.189 26.144 ( 0.000 -3.807 -7.988) 8.849 26.190 ( 0.000 -0.260 -21.933) 21.935 26.747 ( 0.000 -0.549 21.587) 21.594 26.815 ( 0.000 -0.123 4.808) 4.809 26.891 ( 0.000 0.067 -0.395) 0.401 27.597 ( 0.000 -1.933 -18.068) 18.171 27.859 ( 0.000 -0.541 12.034) 12.047 28.282 ( 0.000 -5.773 13.459) 14.645 28.287 ( 0.000 -0.257 -5.802) 5.808 28.568 ( 0.000 -6.785 5.068) 8.469 28.591 ( 0.000 -15.380 4.744) 16.095 28.725 ( 0.000 -5.070 0.386) 5.084 28.886 ( 0.000 -5.676 -4.303) 7.123 28.978 ( 0.000 -5.859 -4.965) 7.680 29.124 ( 0.000 -5.600 1.430) 5.780 29.219 ( 0.000 -7.412 -0.040) 7.412 29.304 ( 0.000 -0.559 9.902) 9.918 29.526 ( 0.000 -1.080 -1.320) 1.706 29.871 ( 0.000 -2.006 -12.800) 12.956 29.979 ( 0.000 -0.714 -20.782) 20.794 30.068 ( 0.000 -8.180 10.935) 13.656 30.466 ( 0.000 -7.475 -1.935) 7.721 30.708 ( 0.000 -1.663 11.857) 11.973 30.843 ( 0.000 -0.619 3.315) 3.373 30.952 ( 0.000 -6.231 -0.683) 6.268 30.958 ( 0.000 -0.719 -2.015) 2.140 31.081 ( 0.000 -2.620 6.488) 6.997 31.131 ( 0.000 -6.989 2.840) 7.544 31.231 ( 0.000 -12.037 -0.568) 12.051 31.383 ( 0.000 -7.949 9.233) 12.184 31.418 ( 0.000 1.832 -4.981) 5.307 31.706 ( 0.000 -10.424 0.621) 10.442 31.809 ( 0.000 -8.067 -3.798) 8.917 31.918 ( 0.000 -5.298 -1.089) 5.409 32.057 ( 0.000 -1.549 -14.874) 14.955 32.188 ( 0.000 -11.759 -4.993) 12.775 32.297 ( 0.000 -6.273 1.651) 6.487 32.592 ( 0.000 -9.970 -7.385) 12.407 32.805 ( 0.000 4.475 19.284) 19.796 33.036 ( 0.000 -7.266 14.418) 16.146 33.327 ( 0.000 -1.102 3.676) 3.837 33.453 ( 0.000 9.516 -9.781) 13.646 33.604 ( 0.000 -0.149 -7.446) 7.448 33.768 ( 0.000 1.080 -15.376) 15.414 34.076 ( 0.000 4.435 12.559) 13.319 34.553 ( 0.000 5.418 -7.181) 8.996 35.505 ( 0.000 12.285 38.119) 40.049 37.770 ( 0.000 -10.744 -58.408) 59.388 ======================= Grid point 66 (26/54) ======================= q-point: ( 0.25 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 14.329 15.672 16.670) 26.997 1.696 ( 7.056 21.129 14.753) 26.718 2.068 ( 3.344 7.499 12.237) 14.736 2.213 ( -1.935 6.041 9.749) 11.631 2.324 ( 16.669 12.319 2.171) 20.840 2.459 ( -2.330 7.716 -3.367) 8.735 2.596 ( 7.858 11.215 -8.058) 15.889 2.616 ( 2.867 3.401 -5.261) 6.889 2.774 ( 4.668 4.478 -3.190) 7.213 2.824 ( -4.254 0.181 1.357) 4.469 2.986 ( -6.450 3.118 -2.004) 7.439 3.074 ( 7.284 1.746 -0.616) 7.516 3.112 ( -1.424 0.461 -3.805) 4.089 3.159 ( 0.745 0.899 -0.334) 1.215 3.201 ( 5.788 1.324 2.705) 6.525 3.277 ( -4.363 0.986 2.235) 5.000 3.288 ( -0.849 -2.090 -0.519) 2.315 3.353 ( 0.585 0.839 -1.286) 1.643 3.425 ( -2.885 0.267 -0.510) 2.942 3.457 ( -2.378 2.450 0.235) 3.423 3.484 ( -0.337 0.484 -1.309) 1.436 3.686 ( 0.888 0.744 5.080) 5.210 3.739 ( 4.805 0.581 -11.326) 12.317 3.882 ( -1.061 2.624 -0.980) 2.996 4.027 ( -0.067 -2.148 2.830) 3.554 4.159 ( -17.804 -0.023 2.707) 18.009 4.262 ( -1.712 -3.319 -1.128) 3.901 4.313 ( -7.042 2.758 -1.495) 7.709 4.454 ( -2.764 -5.242 2.397) 6.392 4.518 ( -1.471 -7.437 2.156) 7.882 4.763 ( -6.030 -6.172 1.089) 8.697 4.817 ( -6.759 -5.896 0.867) 9.011 5.207 ( 9.521 0.129 -1.514) 9.641 5.267 ( 16.199 -1.558 -3.435) 16.633 5.622 ( -7.398 -1.614 2.447) 7.957 5.762 ( -6.024 -2.885 -3.144) 7.382 6.243 ( 13.381 -0.795 5.424) 14.461 6.359 ( 4.366 -2.275 -1.597) 5.175 6.417 ( 7.255 -2.130 16.187) 17.866 6.450 ( 0.300 -1.927 9.363) 9.564 6.779 ( -0.175 -3.742 18.479) 18.855 6.801 ( 1.420 -4.971 1.151) 5.297 6.899 ( 0.363 -1.891 4.660) 5.042 7.009 ( 13.254 -6.566 -0.166) 14.792 7.073 ( -7.356 -3.802 -2.047) 8.529 7.186 ( -1.335 -0.674 -3.021) 3.371 7.404 ( 0.307 -0.868 -4.839) 4.926 7.460 ( 2.921 -3.400 -8.938) 9.999 7.592 ( 4.222 -0.166 -6.440) 7.702 7.848 ( -2.987 1.459 4.505) 5.599 7.909 ( 3.157 2.065 7.977) 8.824 8.034 ( 3.395 2.187 1.050) 4.172 8.140 ( -5.549 1.978 -10.989) 12.469 8.284 ( 3.700 2.959 -2.297) 5.265 8.336 ( -4.493 0.145 -0.365) 4.510 8.432 ( -4.987 2.380 -8.758) 10.355 8.571 ( -7.569 1.448 -3.652) 8.528 8.689 ( -3.115 1.458 -1.674) 3.825 8.731 ( -1.643 0.631 -3.041) 3.514 8.915 ( 5.635 2.652 -6.924) 9.312 9.044 ( -0.492 0.290 -5.163) 5.195 9.160 ( -6.451 -1.924 -12.952) 14.597 9.220 ( -17.872 0.391 -17.899) 25.297 9.294 ( 0.882 -1.216 -10.775) 10.879 9.624 ( 5.513 -1.186 -4.081) 6.961 9.826 ( 3.348 0.489 -13.098) 13.528 9.870 ( -3.423 -3.870 8.626) 10.055 9.961 ( -4.816 -1.013 8.387) 9.724 9.964 ( -8.947 -0.373 6.993) 11.361 10.200 ( 5.474 -4.844 0.693) 7.343 10.377 ( -11.632 -3.290 5.812) 13.413 10.443 ( -9.240 -2.610 -21.741) 23.766 10.506 ( -2.182 -3.833 10.368) 11.267 10.627 ( 0.921 -2.652 4.988) 5.723 10.712 ( -2.618 -0.838 3.500) 4.450 10.953 ( -5.068 -2.922 -6.012) 8.388 11.124 ( 2.317 -3.981 -6.766) 8.185 11.239 ( -0.728 -6.352 -0.679) 6.430 11.318 ( -3.050 -1.460 2.280) 4.078 11.369 ( 1.427 -3.412 1.348) 3.936 11.468 ( 2.177 -0.483 1.199) 2.532 11.514 ( 4.218 -1.442 14.284) 14.963 11.628 ( 9.461 -5.422 0.569) 10.919 11.893 ( 0.214 -0.151 7.273) 7.278 11.975 ( -1.493 -4.866 9.713) 10.966 12.065 ( -0.169 2.729 1.456) 3.097 12.143 ( -1.007 -0.311 17.589) 17.621 12.175 ( -1.450 -2.048 0.219) 2.519 12.317 ( -1.723 0.394 1.231) 2.154 12.352 ( 9.235 1.585 4.055) 10.210 12.387 ( 1.561 3.616 -4.455) 5.946 12.421 ( 4.229 0.504 -4.316) 6.064 12.435 ( 8.439 0.792 1.086) 8.545 12.544 ( -5.607 -2.073 0.718) 6.021 12.660 ( -3.038 1.167 -1.175) 3.460 12.758 ( -3.577 -0.248 -0.883) 3.693 12.808 ( -0.266 -0.064 -3.169) 3.180 12.964 ( 6.949 0.792 -2.134) 7.312 13.017 ( -5.460 1.905 -4.400) 7.267 13.100 ( 2.452 -1.663 3.429) 4.532 13.254 ( 3.770 -0.268 -1.586) 4.099 13.342 ( 0.858 -3.784 1.515) 4.165 13.425 ( -8.006 -0.309 -4.193) 9.043 13.464 ( -1.953 -0.680 -3.276) 3.874 13.550 ( 12.918 2.053 -1.509) 13.167 13.735 ( 5.964 -0.658 2.627) 6.550 13.855 ( 2.883 3.911 -0.788) 4.922 13.987 ( 1.876 0.389 4.936) 5.295 14.098 ( 9.633 -1.066 5.358) 11.074 14.319 ( -6.784 -1.281 11.577) 13.479 14.343 ( 15.316 1.137 -0.231) 15.360 14.717 ( -0.086 0.902 -2.539) 2.696 14.875 ( 2.901 1.279 3.259) 4.547 14.973 ( 1.526 -0.117 3.773) 4.071 15.133 ( 1.017 -0.159 -11.090) 11.137 15.312 ( -5.606 5.137 -4.011) 8.597 15.373 ( -5.510 -1.868 -6.240) 8.531 15.463 ( -5.827 -2.528 -12.901) 14.380 15.663 ( -12.117 4.176 1.931) 12.961 15.873 ( 3.297 0.867 2.020) 3.962 15.987 ( 0.060 2.183 2.780) 3.535 16.041 ( 3.753 2.986 -0.402) 4.813 16.238 ( -18.203 1.886 -1.687) 18.378 16.447 ( -9.627 0.917 -5.432) 11.092 16.768 ( -0.626 0.864 -1.901) 2.180 16.826 ( -2.463 -0.121 -4.332) 4.985 17.090 ( -3.373 1.785 -9.314) 10.066 17.404 ( -8.889 -2.765 -9.297) 13.157 17.520 ( 3.611 0.857 15.981) 16.406 17.658 ( 12.496 0.658 4.469) 13.287 17.796 ( 6.616 1.737 7.035) 9.813 17.963 ( 3.946 0.266 7.472) 8.454 18.055 ( -2.906 0.815 5.468) 6.246 18.085 ( -7.882 1.047 1.449) 8.082 18.184 ( 2.167 -2.597 -2.633) 4.286 18.256 ( 5.679 -2.522 -0.292) 6.221 18.302 ( 5.672 0.494 2.502) 6.218 18.389 ( -0.726 -0.551 -0.438) 1.011 18.528 ( -2.555 3.379 -2.912) 5.141 18.631 ( -2.529 0.717 -4.096) 4.867 18.698 ( 2.889 0.023 -7.817) 8.334 18.753 ( 1.797 0.743 -4.800) 5.178 18.877 ( -0.071 -0.976 -0.254) 1.011 18.920 ( -2.195 -0.976 2.814) 3.700 19.108 ( 2.359 -0.219 -1.167) 2.641 19.204 ( 3.517 0.542 -8.438) 9.158 19.530 ( 4.949 -0.692 6.674) 8.338 19.604 ( 2.787 -0.993 9.636) 10.080 19.710 ( 12.464 1.408 4.889) 13.462 19.898 ( 13.730 1.379 6.048) 15.066 20.119 ( 6.934 0.708 4.830) 8.479 20.252 ( 5.066 0.469 2.680) 5.751 20.513 ( -7.062 -0.381 -0.455) 7.087 20.652 ( -9.707 -1.779 8.775) 13.205 20.671 ( -9.338 -0.120 1.899) 9.530 20.872 ( -0.462 -1.317 -9.021) 9.129 20.978 ( -5.454 -0.625 -0.658) 5.529 21.004 ( -5.571 -0.291 -2.181) 5.990 21.024 ( 0.789 -2.839 2.245) 3.705 21.189 ( 1.515 -0.851 6.782) 7.001 21.237 ( -7.162 -2.523 -6.726) 10.144 21.329 ( -0.297 -1.865 -1.998) 2.749 21.474 ( -1.823 -1.672 0.979) 2.660 21.543 ( 1.926 -1.694 2.377) 3.497 22.232 ( 6.188 -2.081 -2.172) 6.880 22.315 ( -3.872 -0.587 -3.423) 5.201 22.420 ( -6.688 -0.771 13.964) 15.503 22.592 ( -7.260 -1.658 10.402) 12.793 22.869 ( 4.841 -0.976 -3.870) 6.274 22.976 ( 8.333 1.397 1.035) 8.512 23.109 ( -3.255 0.723 -3.209) 4.627 23.266 ( 5.922 -0.249 -0.683) 5.967 23.334 ( 4.488 -2.605 0.040) 5.190 23.377 ( -4.886 0.494 -8.310) 9.653 23.528 ( -0.765 -1.807 17.512) 17.622 23.817 ( -3.216 1.085 1.717) 3.804 23.886 ( -5.416 -1.031 2.685) 6.132 23.957 ( -4.431 2.282 -1.243) 5.137 24.086 ( 4.856 -1.361 -7.023) 8.646 24.359 ( -4.579 -1.475 2.451) 5.399 24.446 ( -8.789 0.095 -11.588) 14.544 24.499 ( -15.457 -1.845 -4.139) 16.107 24.554 ( 7.877 1.031 7.571) 10.974 24.753 ( 4.080 1.520 1.387) 4.570 24.957 ( 2.242 1.470 7.991) 8.428 25.244 ( 6.836 -1.372 -0.787) 7.017 25.426 ( -15.750 1.290 -8.717) 18.047 25.526 ( 18.779 -8.856 -9.160) 22.693 25.680 ( 15.825 -2.208 12.034) 20.003 25.853 ( 2.097 -1.307 2.224) 3.325 25.923 ( 21.031 -1.320 4.876) 21.629 26.008 ( 20.195 -7.433 -6.179) 22.389 26.267 ( 23.862 -12.750 -7.944) 28.197 26.535 ( 9.698 -1.055 -8.977) 13.257 26.663 ( -1.355 -0.394 13.787) 13.859 26.888 ( 0.832 -0.325 -0.223) 0.921 26.920 ( 12.372 -0.721 -2.588) 12.660 27.539 ( -6.469 -2.416 -20.550) 21.679 27.742 ( -28.559 -8.259 11.441) 31.855 27.966 ( 0.036 -3.561 16.474) 16.854 28.256 ( -19.182 -9.847 -7.875) 22.955 28.414 ( -6.187 -5.943 -2.278) 8.876 28.560 ( -7.298 -11.094 7.433) 15.218 28.741 ( -11.374 -2.961 -0.878) 11.786 28.796 ( -5.011 -10.361 5.197) 12.628 28.852 ( -1.091 -6.313 -0.674) 6.442 29.078 ( 6.194 -2.761 10.455) 12.462 29.302 ( 8.030 -3.404 -6.077) 10.630 29.461 ( 8.387 -2.183 -1.888) 8.870 29.567 ( -0.610 -3.322 -0.970) 3.514 29.902 ( -5.273 -4.436 -4.019) 7.977 29.954 ( 4.412 -3.208 -7.567) 9.328 30.248 ( 11.995 -2.880 -4.114) 13.003 30.346 ( -6.548 -5.785 2.328) 9.042 30.741 ( 3.126 -2.023 10.868) 11.489 30.768 ( -3.210 -0.269 -0.900) 3.345 30.894 ( -6.515 -2.608 -1.732) 7.228 30.960 ( -2.346 -1.829 1.684) 3.419 31.070 ( -0.968 -6.550 2.893) 7.226 31.176 ( 4.496 -5.217 1.652) 7.083 31.271 ( 4.009 -5.887 2.732) 7.628 31.370 ( -0.484 -10.557 6.445) 12.379 31.535 ( 7.723 -1.019 -1.689) 7.970 31.698 ( -3.965 -12.314 -5.738) 14.152 31.775 ( 0.756 -7.348 2.645) 7.846 31.859 ( -3.424 -3.922 -0.730) 5.257 32.123 ( 3.205 -2.662 -11.148) 11.901 32.205 ( 0.856 -10.771 -10.098) 14.789 32.280 ( -0.549 -4.852 4.392) 6.568 32.492 ( -8.315 -7.969 0.147) 11.518 32.773 ( -0.255 -2.424 5.255) 5.793 33.054 ( -9.608 -2.619 4.034) 10.744 33.175 ( -4.079 0.712 4.145) 5.859 33.340 ( 0.745 -1.907 5.449) 5.821 33.678 ( 4.065 1.136 -7.500) 8.606 33.920 ( 3.410 1.703 -20.321) 20.675 34.216 ( 13.244 6.973 18.610) 23.882 34.832 ( 20.156 8.172 4.686) 22.248 35.461 ( 3.949 14.454 19.349) 24.472 37.220 ( -49.250 2.278 -44.915) 66.694 ======================= Grid point 67 (27/54) ======================= q-point: (-0.50 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.000 7.832 15.627) 17.480 1.863 ( -0.000 12.725 2.865) 13.043 1.946 ( 0.000 11.441 13.257) 17.511 2.166 ( 0.000 11.218 12.736) 16.972 2.445 ( 0.000 8.262 -5.168) 9.745 2.631 ( 0.000 6.968 -9.457) 11.747 2.649 ( -0.000 -1.626 -16.768) 16.847 2.723 ( -0.000 -0.899 0.870) 1.251 2.724 ( 0.000 5.871 -1.857) 6.157 2.807 ( 0.000 9.490 -5.296) 10.868 3.046 ( 0.000 4.941 5.144) 7.132 3.076 ( -0.000 0.907 -0.146) 0.918 3.179 ( 0.000 2.642 3.600) 4.465 3.179 ( -0.000 3.134 5.110) 5.994 3.210 ( 0.000 -0.994 -1.329) 1.660 3.264 ( -0.000 0.481 0.045) 0.483 3.308 ( -0.000 -0.143 1.273) 1.281 3.309 ( 0.000 0.498 0.724) 0.879 3.406 ( 0.000 5.245 0.782) 5.303 3.425 ( 0.000 3.377 -0.168) 3.381 3.486 ( -0.000 0.364 0.373) 0.521 3.606 ( 0.000 4.180 1.640) 4.490 3.810 ( 0.000 -1.360 -2.662) 2.989 3.820 ( 0.000 8.396 5.091) 9.819 3.945 ( 0.000 -3.584 1.060) 3.738 4.008 ( 0.000 0.536 -5.124) 5.152 4.221 ( 0.000 0.889 -1.425) 1.679 4.256 ( 0.000 -3.929 -0.677) 3.986 4.479 ( 0.000 -6.786 2.811) 7.345 4.513 ( 0.000 -6.947 2.985) 7.562 4.688 ( 0.000 -5.424 -0.906) 5.500 4.723 ( 0.000 -4.522 -0.750) 4.584 5.322 ( 0.000 -1.905 -1.813) 2.630 5.441 ( 0.000 -1.068 -2.423) 2.647 5.567 ( 0.000 -3.633 1.326) 3.867 5.639 ( -0.000 -2.447 0.346) 2.471 6.406 ( 0.000 -5.620 0.621) 5.654 6.422 ( 0.000 -4.256 7.240) 8.398 6.442 ( -0.000 -0.826 4.065) 4.148 6.584 ( -0.000 1.655 18.149) 18.224 6.673 ( -0.000 -1.781 9.382) 9.549 6.693 ( 0.000 -4.749 12.801) 13.653 6.988 ( 0.000 1.314 -11.064) 11.142 6.993 ( 0.000 -1.825 -10.415) 10.573 7.157 ( 0.000 0.234 -5.604) 5.609 7.269 ( 0.000 -1.553 -2.036) 2.560 7.488 ( -0.000 -2.036 2.307) 3.077 7.557 ( 0.000 -2.697 5.144) 5.808 7.717 ( 0.000 -0.880 2.217) 2.385 7.752 ( 0.000 -3.253 12.481) 12.898 7.887 ( 0.000 -2.928 -5.507) 6.237 7.938 ( 0.000 -2.914 -16.871) 17.120 8.148 ( 0.000 2.978 -0.875) 3.104 8.288 ( 0.000 4.387 -4.344) 6.174 8.330 ( 0.000 8.129 -0.659) 8.156 8.341 ( -0.000 -0.463 -3.587) 3.617 8.525 ( 0.000 -1.126 -8.826) 8.898 8.667 ( 0.000 -1.423 9.185) 9.294 8.686 ( 0.000 1.877 -7.627) 7.855 8.845 ( 0.000 1.496 -6.264) 6.440 8.912 ( 0.000 -0.847 2.390) 2.536 8.943 ( -0.000 1.939 -5.933) 6.241 9.266 ( -0.000 -1.630 -11.169) 11.287 9.434 ( 0.000 -1.382 -13.190) 13.262 9.646 ( 0.000 -3.056 1.315) 3.327 9.650 ( -0.000 0.730 4.613) 4.671 9.932 ( 0.000 0.927 1.338) 1.627 9.962 ( 0.000 -2.391 -10.738) 11.001 9.996 ( -0.000 -4.115 -7.298) 8.378 10.163 ( -0.000 -0.479 -2.196) 2.248 10.202 ( 0.000 -3.453 0.913) 3.571 10.258 ( 0.000 -3.278 -5.807) 6.668 10.628 ( -0.000 -4.570 4.431) 6.366 10.694 ( -0.000 -2.215 9.471) 9.727 10.734 ( 0.000 -2.186 2.416) 3.258 10.799 ( 0.000 -1.604 1.830) 2.433 11.159 ( -0.000 -5.353 -3.549) 6.423 11.213 ( 0.000 -5.089 -6.753) 8.455 11.289 ( 0.000 -3.921 0.403) 3.942 11.404 ( -0.000 -1.323 -1.989) 2.389 11.495 ( 0.000 -2.142 1.944) 2.892 11.516 ( -0.000 -0.247 13.401) 13.403 11.738 ( 0.000 -2.794 -6.770) 7.324 11.827 ( -0.000 -1.134 -4.395) 4.539 11.944 ( -0.000 -4.084 5.099) 6.533 12.130 ( 0.000 0.647 10.186) 10.207 12.139 ( 0.000 -1.495 17.956) 18.018 12.201 ( -0.000 0.794 -4.104) 4.180 12.214 ( 0.000 1.264 11.425) 11.495 12.389 ( 0.000 -1.112 5.747) 5.854 12.445 ( 0.000 1.700 -3.600) 3.982 12.489 ( 0.000 2.205 4.158) 4.706 12.496 ( 0.000 0.093 4.903) 4.904 12.597 ( 0.000 4.080 2.041) 4.561 12.642 ( -0.000 0.973 -6.313) 6.387 12.741 ( 0.000 -2.129 -3.188) 3.833 12.834 ( 0.000 4.313 -2.286) 4.881 12.856 ( 0.000 -1.918 -6.702) 6.971 13.118 ( 0.000 0.652 -5.430) 5.469 13.162 ( -0.000 0.566 -2.203) 2.275 13.169 ( 0.000 -1.064 3.265) 3.434 13.335 ( 0.000 -1.369 1.557) 2.073 13.378 ( 0.000 -2.461 -0.953) 2.639 13.443 ( 0.000 0.083 -1.644) 1.646 13.729 ( 0.000 4.169 -1.228) 4.346 13.795 ( -0.000 4.064 1.234) 4.247 13.877 ( -0.000 -0.250 7.630) 7.634 13.996 ( 0.000 -1.146 0.438) 1.227 14.214 ( 0.000 -3.720 10.498) 11.137 14.243 ( 0.000 -3.648 9.012) 9.722 14.597 ( 0.000 3.615 -2.198) 4.231 14.606 ( -0.000 4.942 -0.268) 4.949 14.931 ( -0.000 3.596 -2.412) 4.330 15.013 ( 0.000 -3.373 -11.697) 12.174 15.235 ( -0.000 5.183 6.136) 8.032 15.261 ( 0.000 -2.884 -4.979) 5.754 15.286 ( -0.000 -1.367 -10.370) 10.459 15.398 ( 0.000 1.421 -7.399) 7.534 15.559 ( 0.000 -0.899 4.438) 4.528 15.750 ( -0.000 1.133 6.988) 7.079 16.031 ( 0.000 -0.628 9.039) 9.061 16.033 ( -0.000 2.218 2.650) 3.455 16.126 ( 0.000 4.185 -5.414) 6.843 16.195 ( -0.000 1.607 2.725) 3.164 16.820 ( 0.000 0.191 -15.339) 15.340 16.820 ( -0.000 0.620 -16.354) 16.366 17.167 ( 0.000 0.119 -11.145) 11.146 17.181 ( -0.000 0.293 -15.297) 15.300 17.597 ( -0.000 -0.703 12.364) 12.384 17.813 ( -0.000 0.824 8.366) 8.406 17.851 ( 0.000 0.288 6.466) 6.473 17.895 ( 0.000 1.569 10.346) 10.464 18.042 ( 0.000 0.308 5.469) 5.478 18.057 ( -0.000 0.211 4.158) 4.163 18.146 ( 0.000 -2.002 -6.262) 6.574 18.261 ( 0.000 -0.813 -1.963) 2.125 18.440 ( 0.000 0.513 0.486) 0.707 18.489 ( 0.000 3.199 -2.827) 4.269 18.492 ( -0.000 -0.683 -3.008) 3.084 18.550 ( 0.000 1.532 3.349) 3.683 18.728 ( 0.000 -0.194 -6.111) 6.114 18.767 ( 0.000 0.268 -3.535) 3.545 18.859 ( 0.000 -3.187 7.522) 8.169 18.899 ( 0.000 -0.655 -0.163) 0.675 19.147 ( 0.000 -0.280 -3.126) 3.139 19.245 ( 0.000 1.021 -4.991) 5.094 19.606 ( -0.000 -1.943 13.059) 13.202 19.620 ( 0.000 -0.945 12.008) 12.046 19.959 ( 0.000 0.885 5.449) 5.520 19.961 ( -0.000 0.509 5.374) 5.399 20.270 ( -0.000 1.919 -3.398) 3.903 20.340 ( 0.000 2.538 -1.910) 3.176 20.471 ( -0.000 -1.656 3.936) 4.271 20.515 ( 0.000 -0.704 8.172) 8.203 20.589 ( 0.000 -0.732 -6.757) 6.796 20.654 ( -0.000 -0.446 -9.285) 9.296 20.909 ( -0.000 -2.444 -3.155) 3.991 20.987 ( 0.000 -2.647 -3.414) 4.320 21.156 ( -0.000 -0.465 -1.012) 1.114 21.171 ( 0.000 -1.256 5.589) 5.728 21.194 ( -0.000 -1.306 7.095) 7.215 21.264 ( 0.000 1.324 -0.205) 1.339 21.478 ( -0.000 -2.472 -5.657) 6.173 21.497 ( 0.000 -2.921 -4.627) 5.472 22.141 ( 0.000 -1.040 11.881) 11.926 22.239 ( 0.000 -0.129 12.236) 12.237 22.546 ( -0.000 -1.191 0.024) 1.191 22.616 ( 0.000 -0.369 0.982) 1.049 22.877 ( 0.000 -0.384 -4.989) 5.003 22.894 ( -0.000 -0.153 -4.705) 4.707 23.239 ( 0.000 0.288 -1.927) 1.949 23.258 ( 0.000 -0.395 -4.106) 4.125 23.341 ( 0.000 0.076 3.176) 3.176 23.362 ( -0.000 -0.551 2.797) 2.850 23.661 ( -0.000 -2.015 7.796) 8.052 23.662 ( 0.000 -1.086 5.966) 6.064 23.863 ( 0.000 1.204 1.164) 1.675 23.879 ( -0.000 1.699 1.772) 2.455 24.199 ( 0.000 -1.668 -9.529) 9.674 24.237 ( -0.000 -1.436 -6.443) 6.601 24.325 ( 0.000 -0.447 -6.351) 6.367 24.350 ( 0.000 -0.163 -3.112) 3.116 24.688 ( -0.000 1.249 7.805) 7.905 24.722 ( 0.000 1.921 6.562) 6.838 25.127 ( 0.000 1.352 -2.783) 3.094 25.131 ( -0.000 1.996 -2.553) 3.241 25.443 ( -0.000 -1.804 -9.434) 9.604 25.483 ( 0.000 -1.311 -10.843) 10.922 25.834 ( 0.000 -1.038 2.095) 2.338 25.873 ( -0.000 -0.570 0.629) 0.849 26.224 ( -0.000 -3.778 15.852) 16.295 26.297 ( 0.000 -0.894 16.784) 16.808 26.556 ( -0.000 -5.005 -2.172) 5.456 26.648 ( 0.000 -5.376 2.011) 5.740 26.916 ( 0.000 -7.082 -10.656) 12.794 26.994 ( -0.000 -4.420 -0.202) 4.424 27.208 ( 0.000 -11.183 -9.151) 14.450 27.314 ( -0.000 -1.886 -19.732) 19.822 27.436 ( -0.000 -15.437 -4.908) 16.198 27.551 ( 0.000 -27.782 -5.495) 28.320 28.113 ( -0.000 -4.886 18.690) 19.318 28.401 ( 0.000 -11.933 18.781) 22.251 28.502 ( 0.000 -0.631 -2.072) 2.166 28.518 ( -0.000 -1.405 1.546) 2.089 28.755 ( 0.000 -7.292 1.432) 7.431 28.799 ( 0.000 -8.835 4.629) 9.974 29.287 ( -0.000 -1.007 4.587) 4.697 29.309 ( 0.000 -3.234 1.816) 3.709 29.556 ( 0.000 -3.899 -12.668) 13.254 29.591 ( 0.000 -3.227 -10.568) 11.050 29.860 ( 0.000 -4.804 0.566) 4.837 29.888 ( -0.000 -4.250 0.937) 4.352 30.336 ( 0.000 -2.557 0.342) 2.580 30.384 ( 0.000 -3.129 1.961) 3.692 30.757 ( -0.000 0.180 1.158) 1.172 30.765 ( 0.000 0.120 -1.713) 1.717 30.841 ( -0.000 -1.580 5.672) 5.888 30.882 ( 0.000 -0.804 2.958) 3.066 31.087 ( 0.000 -7.233 -2.103) 7.533 31.198 ( 0.000 -10.073 -2.930) 10.491 31.316 ( -0.000 -7.270 8.217) 10.972 31.379 ( 0.000 -5.897 6.889) 9.068 31.634 ( -0.000 -11.361 -5.355) 12.560 31.635 ( 0.000 -1.939 -2.140) 2.888 31.806 ( -0.000 -4.618 4.831) 6.683 31.808 ( 0.000 -7.375 1.872) 7.609 32.161 ( -0.000 -10.988 -11.059) 15.590 32.180 ( 0.000 0.748 -10.826) 10.852 32.332 ( 0.000 -6.107 2.134) 6.469 32.357 ( -0.000 -8.319 1.425) 8.441 32.788 ( 0.000 -0.924 0.505) 1.053 32.881 ( -0.000 -7.347 -1.104) 7.429 33.191 ( 0.000 -0.612 8.569) 8.590 33.346 ( 0.000 -2.910 7.395) 7.947 33.731 ( 0.000 1.869 -8.735) 8.932 33.925 ( 0.000 0.489 -19.809) 19.816 34.432 ( 0.000 10.914 27.926) 29.983 34.908 ( 0.000 5.767 25.840) 26.476 36.000 ( 0.000 17.839 -27.789) 33.022 36.249 ( -0.000 13.475 -19.469) 23.677 ======================= Grid point 70 (28/54) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 17.742 14.553) 22.947 1.937 ( 0.000 11.851 21.393) 24.456 2.288 ( 0.000 0.148 -5.563) 5.565 2.372 ( 0.000 6.939 4.304) 8.165 2.409 ( 0.000 24.829 4.710) 25.272 2.629 ( 0.000 9.183 7.392) 11.789 2.705 ( 0.000 7.054 -7.830) 10.539 2.821 ( 0.000 5.254 -2.221) 5.704 2.823 ( 0.000 16.134 -8.546) 18.258 2.911 ( 0.000 2.468 -1.949) 3.145 3.015 ( 0.000 0.027 2.375) 2.375 3.036 ( 0.000 -2.601 -4.789) 5.449 3.116 ( 0.000 3.858 -5.251) 6.516 3.185 ( 0.000 -2.825 -1.162) 3.054 3.193 ( 0.000 -1.558 -5.610) 5.822 3.268 ( 0.000 6.622 2.857) 7.212 3.278 ( 0.000 -0.969 3.959) 4.076 3.398 ( 0.000 1.666 -0.467) 1.730 3.487 ( 0.000 0.143 0.766) 0.780 3.509 ( 0.000 2.110 0.139) 2.115 3.595 ( 0.000 10.441 2.616) 10.764 3.612 ( 0.000 -2.288 7.623) 7.958 3.745 ( 0.000 1.687 -1.475) 2.241 3.849 ( 0.000 -2.870 -3.017) 4.164 3.992 ( 0.000 1.300 1.878) 2.284 4.153 ( 0.000 -8.074 -3.679) 8.872 4.258 ( 0.000 -5.754 0.940) 5.831 4.316 ( 0.000 -2.235 -1.389) 2.632 4.378 ( 0.000 -8.443 8.216) 11.781 4.605 ( 0.000 -2.992 -1.140) 3.201 4.727 ( 0.000 -7.535 1.894) 7.769 4.909 ( 0.000 2.480 3.187) 4.038 4.929 ( 0.000 -3.342 -4.376) 5.506 5.079 ( 0.000 -0.046 -3.560) 3.560 5.688 ( 0.000 -1.452 -0.543) 1.550 5.772 ( 0.000 -2.975 -3.533) 4.619 6.016 ( 0.000 -1.078 10.754) 10.808 6.297 ( 0.000 0.191 6.171) 6.174 6.320 ( 0.000 -1.874 11.527) 11.678 6.515 ( 0.000 -0.083 4.331) 4.332 6.540 ( 0.000 -8.103 5.788) 9.958 6.682 ( 0.000 -9.336 8.058) 12.333 6.712 ( 0.000 -1.334 3.279) 3.540 6.740 ( 0.000 -6.379 6.443) 9.067 7.123 ( 0.000 -3.459 0.591) 3.509 7.170 ( 0.000 -7.980 -7.456) 10.921 7.339 ( 0.000 -2.558 -19.404) 19.572 7.448 ( 0.000 1.586 1.513) 2.192 7.641 ( 0.000 -1.287 -0.335) 1.330 7.730 ( 0.000 -0.187 1.013) 1.030 8.006 ( 0.000 -0.704 6.121) 6.161 8.081 ( 0.000 2.085 2.471) 3.233 8.126 ( 0.000 0.618 -11.894) 11.910 8.237 ( 0.000 -2.450 -6.698) 7.132 8.429 ( 0.000 0.846 5.294) 5.361 8.568 ( 0.000 0.914 -5.257) 5.336 8.639 ( 0.000 -0.137 -10.676) 10.677 8.722 ( 0.000 0.928 2.755) 2.907 8.787 ( 0.000 -11.482 -8.603) 14.347 8.815 ( 0.000 -0.901 -15.366) 15.393 8.913 ( 0.000 1.676 0.543) 1.762 9.161 ( 0.000 1.684 -2.198) 2.769 9.318 ( 0.000 -1.438 -2.366) 2.769 9.530 ( 0.000 0.108 -6.508) 6.509 9.606 ( 0.000 0.138 -21.676) 21.677 9.730 ( 0.000 -0.184 -18.470) 18.471 9.787 ( 0.000 -0.723 0.212) 0.753 9.848 ( 0.000 -2.072 -0.116) 2.075 10.087 ( 0.000 0.044 8.081) 8.081 10.342 ( 0.000 -4.309 -9.613) 10.535 10.393 ( 0.000 -0.385 7.036) 7.047 10.452 ( 0.000 -4.440 8.510) 9.598 10.516 ( 0.000 -0.960 15.944) 15.973 10.638 ( 0.000 -0.047 -5.192) 5.192 10.768 ( 0.000 -7.341 -1.731) 7.542 10.945 ( 0.000 -4.123 5.602) 6.956 10.976 ( 0.000 -5.985 -3.901) 7.144 11.149 ( 0.000 -5.158 7.239) 8.888 11.182 ( 0.000 -4.944 -6.235) 7.958 11.249 ( 0.000 -4.817 -0.731) 4.872 11.334 ( 0.000 -1.436 1.715) 2.237 11.417 ( 0.000 0.644 -1.946) 2.050 11.516 ( 0.000 1.125 8.759) 8.831 11.880 ( 0.000 0.284 22.006) 22.007 11.916 ( 0.000 -4.877 16.981) 17.667 12.123 ( 0.000 -3.994 -10.655) 11.379 12.135 ( 0.000 0.777 11.736) 11.762 12.157 ( 0.000 -2.368 4.095) 4.731 12.183 ( 0.000 0.902 7.544) 7.598 12.294 ( 0.000 -0.203 -4.492) 4.497 12.337 ( 0.000 3.321 3.878) 5.106 12.366 ( 0.000 2.767 -0.539) 2.819 12.454 ( 0.000 -2.706 -2.082) 3.414 12.572 ( 0.000 -3.704 -8.951) 9.687 12.777 ( 0.000 3.774 -7.926) 8.779 12.816 ( 0.000 -0.478 -4.768) 4.792 12.834 ( 0.000 1.167 0.857) 1.448 12.889 ( 0.000 3.091 14.628) 14.951 13.016 ( 0.000 -2.814 -4.310) 5.147 13.062 ( 0.000 -1.136 2.137) 2.420 13.270 ( 0.000 -2.454 6.561) 7.005 13.281 ( 0.000 -0.422 -3.109) 3.137 13.336 ( 0.000 -4.836 -7.426) 8.861 13.378 ( 0.000 -2.130 -4.352) 4.845 13.639 ( 0.000 2.897 -6.710) 7.309 13.693 ( 0.000 3.131 5.777) 6.571 13.700 ( 0.000 -1.945 -13.028) 13.173 13.990 ( 0.000 3.772 5.948) 7.043 14.002 ( 0.000 -0.775 7.113) 7.155 14.226 ( 0.000 0.990 5.121) 5.216 14.433 ( 0.000 1.265 13.035) 13.096 14.606 ( 0.000 -1.332 -2.781) 3.084 14.890 ( 0.000 0.423 13.594) 13.600 14.967 ( 0.000 2.669 -0.113) 2.672 15.204 ( 0.000 0.958 -20.278) 20.300 15.392 ( 0.000 -3.178 -7.999) 8.608 15.439 ( 0.000 -2.570 -13.861) 14.097 15.538 ( 0.000 4.987 -11.230) 12.287 15.820 ( 0.000 -1.290 3.958) 4.163 15.969 ( 0.000 2.830 5.189) 5.910 15.980 ( 0.000 2.339 7.946) 8.283 16.083 ( 0.000 0.875 2.040) 2.219 16.320 ( 0.000 1.365 -15.370) 15.430 16.521 ( 0.000 2.244 -13.267) 13.456 16.830 ( 0.000 0.424 15.632) 15.638 17.188 ( 0.000 -0.117 -7.689) 7.690 17.199 ( 0.000 1.173 -4.526) 4.675 17.276 ( 0.000 0.174 18.640) 18.641 17.438 ( 0.000 -3.074 -10.812) 11.240 17.510 ( 0.000 0.747 15.768) 15.786 17.729 ( 0.000 4.711 4.219) 6.324 17.959 ( 0.000 1.693 20.338) 20.408 18.018 ( 0.000 -0.194 -8.893) 8.896 18.153 ( 0.000 -0.420 8.665) 8.675 18.162 ( 0.000 -0.600 2.031) 2.118 18.199 ( 0.000 -0.714 -2.529) 2.628 18.275 ( 0.000 -0.835 -10.814) 10.846 18.414 ( 0.000 -0.779 -1.357) 1.565 18.598 ( 0.000 0.446 -3.645) 3.672 18.663 ( 0.000 3.171 -3.104) 4.437 18.673 ( 0.000 0.068 -11.086) 11.086 18.746 ( 0.000 0.684 -4.964) 5.011 18.869 ( 0.000 0.186 0.437) 0.475 18.934 ( 0.000 -0.346 3.491) 3.508 19.099 ( 0.000 0.576 -3.897) 3.939 19.154 ( 0.000 -0.102 -9.267) 9.268 19.466 ( 0.000 0.145 6.969) 6.971 19.546 ( 0.000 -0.483 8.435) 8.449 19.609 ( 0.000 1.085 6.315) 6.407 19.773 ( 0.000 1.971 0.891) 2.163 20.040 ( 0.000 -0.452 13.980) 13.987 20.187 ( 0.000 -0.044 10.956) 10.956 20.596 ( 0.000 -1.625 7.707) 7.876 20.705 ( 0.000 -0.453 -0.577) 0.733 20.810 ( 0.000 1.162 -4.952) 5.087 20.855 ( 0.000 -0.894 -9.003) 9.048 20.955 ( 0.000 -1.713 1.462) 2.252 21.051 ( 0.000 -2.563 7.987) 8.388 21.082 ( 0.000 -0.054 -11.479) 11.479 21.125 ( 0.000 -1.499 -1.342) 2.012 21.245 ( 0.000 -1.637 -6.601) 6.801 21.295 ( 0.000 0.817 11.401) 11.431 21.504 ( 0.000 -0.484 1.168) 1.264 21.558 ( 0.000 -0.384 -0.700) 0.798 21.930 ( 0.000 -1.937 -6.709) 6.983 22.333 ( 0.000 -5.484 -11.670) 12.895 22.686 ( 0.000 2.006 15.972) 16.098 22.720 ( 0.000 0.628 4.148) 4.196 22.753 ( 0.000 2.024 0.743) 2.156 22.854 ( 0.000 2.054 5.250) 5.637 23.133 ( 0.000 0.738 3.241) 3.324 23.160 ( 0.000 -2.620 -3.279) 4.197 23.289 ( 0.000 2.351 -3.886) 4.542 23.454 ( 0.000 0.492 -12.179) 12.188 23.503 ( 0.000 -2.716 22.551) 22.714 23.883 ( 0.000 2.307 2.599) 3.476 23.946 ( 0.000 -0.263 -4.004) 4.012 24.015 ( 0.000 0.367 -9.191) 9.198 24.085 ( 0.000 4.078 -4.649) 6.184 24.391 ( 0.000 0.257 7.395) 7.400 24.493 ( 0.000 0.949 5.290) 5.375 24.635 ( 0.000 -0.590 -14.392) 14.404 24.644 ( 0.000 0.418 -6.109) 6.123 24.674 ( 0.000 0.113 9.043) 9.043 24.985 ( 0.000 -0.138 2.001) 2.006 25.004 ( 0.000 -0.049 0.111) 0.122 25.257 ( 0.000 -3.983 1.177) 4.153 25.313 ( 0.000 0.589 16.694) 16.704 25.436 ( 0.000 -3.076 4.990) 5.861 25.709 ( 0.000 0.835 -12.390) 12.418 25.869 ( 0.000 0.590 -11.810) 11.825 25.968 ( 0.000 0.064 -0.777) 0.780 26.095 ( 0.000 -1.590 -6.579) 6.769 26.184 ( 0.000 -0.316 -21.288) 21.290 26.736 ( 0.000 -0.565 20.631) 20.639 26.813 ( 0.000 -0.137 4.946) 4.947 26.892 ( 0.000 0.064 -0.433) 0.438 27.549 ( 0.000 -2.656 -17.977) 18.173 27.845 ( 0.000 -0.871 11.226) 11.260 28.189 ( 0.000 -3.920 11.275) 11.937 28.274 ( 0.000 -1.307 -6.702) 6.828 28.344 ( 0.000 -9.174 7.749) 12.009 28.433 ( 0.000 -6.121 2.512) 6.616 28.526 ( 0.000 -11.937 -1.531) 12.035 28.811 ( 0.000 -1.428 0.483) 1.508 28.924 ( 0.000 -1.528 -3.168) 3.518 29.002 ( 0.000 -6.437 0.057) 6.437 29.048 ( 0.000 -8.835 0.193) 8.838 29.292 ( 0.000 -0.585 10.195) 10.212 29.508 ( 0.000 -0.716 -1.991) 2.115 29.835 ( 0.000 -1.766 -14.072) 14.182 29.930 ( 0.000 -5.305 10.001) 11.321 29.964 ( 0.000 -0.706 -20.091) 20.103 30.321 ( 0.000 -6.534 -3.231) 7.289 30.673 ( 0.000 -1.714 11.745) 11.870 30.819 ( 0.000 -2.160 0.982) 2.373 30.862 ( 0.000 -2.251 0.661) 2.346 30.912 ( 0.000 -5.800 -0.794) 5.854 30.977 ( 0.000 -4.638 0.079) 4.639 31.039 ( 0.000 -1.656 8.868) 9.021 31.039 ( 0.000 -6.933 -1.031) 7.009 31.280 ( 0.000 -3.806 6.550) 7.576 31.440 ( 0.000 0.342 -5.500) 5.510 31.546 ( 0.000 -5.777 2.489) 6.291 31.658 ( 0.000 -6.922 -2.385) 7.322 31.833 ( 0.000 -3.349 -3.553) 4.882 31.991 ( 0.000 -7.789 -7.736) 10.978 32.017 ( 0.000 -2.269 -15.343) 15.510 32.203 ( 0.000 -3.666 5.250) 6.403 32.424 ( 0.000 -6.816 -5.292) 8.630 32.836 ( 0.000 -0.954 20.260) 20.282 32.896 ( 0.000 -6.362 15.009) 16.302 33.298 ( 0.000 -1.788 1.032) 2.064 33.527 ( 0.000 -1.214 -10.520) 10.590 33.601 ( 0.000 -0.462 -7.940) 7.953 33.737 ( 0.000 -3.462 -15.576) 15.956 34.127 ( 0.000 0.717 13.003) 13.023 34.575 ( 0.000 -2.831 -3.615) 4.592 35.590 ( 0.000 -2.235 34.061) 34.134 37.322 ( 0.000 -28.863 -35.376) 45.657 ======================= Grid point 71 (29/54) ======================= q-point: ( 0.25 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 5.752 12.179 11.057) 17.426 2.081 ( 8.244 13.791 9.529) 18.680 2.253 ( -4.080 10.945 0.642) 11.698 2.360 ( -1.112 6.887 4.172) 8.128 2.451 ( 5.876 5.299 4.932) 9.324 2.689 ( 3.112 9.304 -2.566) 10.141 2.712 ( -0.198 6.909 -8.723) 11.130 2.799 ( -5.136 5.034 -0.964) 7.256 2.881 ( 5.694 8.938 0.114) 10.598 2.912 ( 6.016 8.839 -5.378) 11.968 3.032 ( 2.112 -0.518 -1.839) 2.848 3.063 ( -3.718 1.178 -1.207) 4.082 3.089 ( 5.128 0.962 -3.001) 6.019 3.219 ( 3.962 0.726 0.614) 4.074 3.244 ( 1.331 -1.494 0.049) 2.002 3.279 ( 1.816 6.783 3.546) 7.866 3.291 ( 0.406 0.180 2.703) 2.739 3.391 ( -1.255 1.657 -0.271) 2.096 3.467 ( -3.480 3.314 0.982) 4.905 3.495 ( 0.432 2.274 0.458) 2.359 3.518 ( -1.283 1.482 4.530) 4.935 3.714 ( 3.479 1.500 -0.228) 3.795 3.776 ( 4.061 5.355 -0.039) 6.721 3.894 ( 2.021 -1.808 -1.422) 3.062 3.985 ( -0.251 -0.813 1.403) 1.641 4.141 ( -1.593 -7.157 -3.890) 8.300 4.200 ( -10.439 2.090 3.534) 11.218 4.295 ( 1.674 -5.593 1.732) 6.089 4.365 ( 0.150 -6.044 2.911) 6.710 4.418 ( -12.906 1.227 1.145) 13.014 4.658 ( -5.433 -4.766 -0.740) 7.265 4.694 ( -6.888 -5.110 -0.328) 8.583 5.193 ( 7.376 -1.622 -1.897) 7.787 5.216 ( 13.825 -3.564 -2.517) 14.497 5.585 ( -8.219 -1.944 1.556) 8.588 5.693 ( -7.037 -3.789 -2.442) 8.357 6.228 ( 15.217 -0.808 6.365) 16.515 6.286 ( -2.222 -3.408 2.305) 4.676 6.385 ( 2.421 -3.520 6.639) 7.895 6.414 ( 5.487 -0.735 12.256) 13.449 6.666 ( -1.198 -6.490 12.119) 13.800 6.703 ( 6.746 -4.596 9.632) 12.626 6.849 ( 9.638 -4.492 -0.704) 10.656 6.905 ( 2.556 -3.563 0.181) 4.389 6.998 ( 4.479 -3.127 -2.984) 6.224 7.152 ( -1.783 -2.987 -3.093) 4.655 7.377 ( -1.154 -2.235 -1.818) 3.104 7.411 ( 2.635 -0.689 -9.670) 10.047 7.554 ( 1.498 -3.439 -6.494) 7.500 7.867 ( -0.044 0.702 4.786) 4.837 7.943 ( -4.741 1.219 6.404) 8.061 8.033 ( 3.232 -2.131 2.836) 4.798 8.097 ( -10.995 -4.391 -12.753) 17.401 8.273 ( 1.975 -3.531 -3.210) 5.164 8.368 ( -2.002 0.822 -3.039) 3.731 8.499 ( -4.187 1.797 -4.583) 6.463 8.576 ( -6.511 -1.356 -4.926) 8.276 8.681 ( -3.391 -1.265 1.346) 3.861 8.726 ( -1.407 -0.934 -7.436) 7.626 8.938 ( 8.059 1.080 -6.881) 10.652 9.050 ( -1.188 -0.220 0.350) 1.258 9.116 ( -2.442 -1.771 -10.321) 10.753 9.250 ( -15.292 2.216 -14.280) 21.040 9.271 ( -6.479 -0.937 -7.146) 9.691 9.603 ( 1.980 -0.912 -3.033) 3.735 9.795 ( -5.342 -2.640 8.561) 10.430 9.828 ( 5.572 -0.445 -16.900) 17.800 9.922 ( -5.597 -2.528 8.508) 10.494 9.965 ( -5.666 0.395 6.554) 8.673 10.117 ( 5.334 -3.031 -0.178) 6.138 10.310 ( -10.719 -3.154 -0.922) 11.211 10.379 ( -7.363 -3.250 -19.280) 20.892 10.432 ( -1.718 -3.363 12.861) 13.404 10.585 ( -0.286 -1.689 2.492) 3.024 10.690 ( -3.492 -1.397 4.164) 5.611 10.893 ( -4.534 -2.925 -5.323) 7.580 11.025 ( 1.047 -5.637 -6.047) 8.333 11.120 ( -0.387 -5.408 2.317) 5.897 11.274 ( -0.733 -3.039 2.330) 3.899 11.323 ( 0.537 -0.600 1.878) 2.043 11.449 ( 4.866 -1.669 -0.614) 5.181 11.490 ( 5.430 -1.365 8.625) 10.283 11.523 ( 7.587 -4.123 2.586) 9.014 11.885 ( -2.668 -0.666 5.824) 6.441 11.903 ( -0.303 -2.146 12.949) 13.129 12.103 ( -2.369 -0.563 3.352) 4.144 12.128 ( 2.784 -0.025 7.109) 7.634 12.138 ( -1.150 -0.592 13.128) 13.191 12.291 ( 5.493 -2.096 0.767) 5.930 12.367 ( 5.656 -0.329 -1.981) 6.002 12.387 ( 2.251 -0.964 -0.492) 2.497 12.453 ( 3.537 1.994 -3.349) 5.263 12.482 ( -4.067 -2.312 -1.179) 4.824 12.532 ( 9.470 5.024 -1.410) 10.812 12.697 ( -5.098 1.838 -2.231) 5.861 12.738 ( -0.982 -0.974 -6.516) 6.661 12.832 ( -5.683 1.728 3.328) 6.809 12.956 ( 8.191 -1.937 -0.409) 8.427 13.028 ( 0.537 -0.343 0.473) 0.793 13.080 ( -5.083 -0.758 3.303) 6.109 13.241 ( 4.659 -0.714 -0.669) 4.761 13.285 ( 3.011 -2.814 -2.139) 4.643 13.359 ( -1.395 -2.720 -2.347) 3.853 13.505 ( -5.286 2.410 -4.706) 7.477 13.560 ( 14.289 -0.901 -1.943) 14.449 13.730 ( 6.877 -0.088 2.554) 7.337 13.922 ( 4.971 2.727 3.045) 6.436 13.986 ( -0.923 -0.056 15.027) 15.055 14.114 ( 5.315 2.282 -2.592) 6.339 14.292 ( -10.257 -1.228 10.137) 14.473 14.361 ( 18.160 0.676 -3.997) 18.607 14.715 ( 6.468 -0.568 -2.817) 7.078 14.926 ( -1.795 3.314 -1.091) 3.923 14.977 ( 2.645 0.402 4.770) 5.469 15.124 ( -0.076 -0.610 -9.726) 9.745 15.314 ( -4.981 -2.762 -2.503) 6.221 15.363 ( -6.459 -1.810 -10.203) 12.210 15.455 ( -7.411 2.512 -9.160) 12.047 15.745 ( -10.825 3.702 2.225) 11.655 15.884 ( 0.885 0.200 2.851) 2.992 16.027 ( 0.045 1.777 4.270) 4.625 16.087 ( 3.739 1.466 1.694) 4.359 16.263 ( -19.419 0.638 3.432) 19.730 16.467 ( -7.524 1.039 -5.775) 9.542 16.786 ( -0.772 0.891 -5.239) 5.370 16.824 ( -4.126 -0.050 -3.172) 5.205 17.124 ( -2.786 1.471 -9.340) 9.857 17.348 ( -7.716 -2.751 -10.798) 13.554 17.543 ( 4.667 1.391 11.367) 12.366 17.669 ( 12.097 0.379 3.215) 12.523 17.833 ( 2.638 1.837 5.901) 6.720 17.967 ( 2.085 0.227 5.294) 5.695 18.069 ( -1.637 0.671 6.060) 6.313 18.100 ( -6.721 0.356 -1.790) 6.965 18.131 ( 4.197 -2.213 -1.906) 5.113 18.217 ( 0.290 -1.728 -0.005) 1.752 18.312 ( 8.111 0.411 3.686) 8.919 18.382 ( 0.271 -0.160 1.292) 1.329 18.593 ( -2.053 3.036 -4.661) 5.929 18.652 ( -1.189 1.334 -1.235) 2.173 18.703 ( 2.697 0.403 -6.656) 7.193 18.766 ( 1.011 0.561 -3.740) 3.915 18.861 ( -2.465 -0.603 0.064) 2.539 18.903 ( -2.222 -0.683 1.781) 2.929 19.108 ( 2.055 0.225 -0.326) 2.093 19.210 ( 4.013 0.121 -6.826) 7.919 19.516 ( 3.822 -0.696 9.007) 9.809 19.584 ( 2.129 -0.927 10.969) 11.213 19.738 ( 12.221 1.266 5.392) 13.418 19.924 ( 11.784 1.164 5.769) 13.172 20.136 ( 9.014 0.879 3.885) 9.855 20.261 ( 6.325 0.327 2.855) 6.947 20.506 ( -7.167 -0.101 -0.340) 7.176 20.611 ( -5.611 -1.678 5.517) 8.046 20.694 ( -11.540 1.622 0.330) 11.658 20.847 ( -2.185 -1.166 -7.774) 8.159 20.938 ( -2.884 -3.190 1.806) 4.664 20.980 ( -9.190 -0.213 -0.956) 9.242 21.016 ( 4.270 0.420 -0.723) 4.351 21.177 ( -1.081 -0.733 -0.532) 1.410 21.190 ( -4.990 -1.715 -2.525) 5.850 21.299 ( -1.287 -1.198 -3.158) 3.614 21.435 ( 2.609 -2.396 -1.229) 3.749 21.517 ( -3.918 -0.722 -0.644) 4.036 22.198 ( 9.667 -1.199 -2.880) 10.158 22.304 ( -1.089 -0.433 -3.939) 4.110 22.432 ( -7.578 1.535 11.165) 13.580 22.561 ( -7.295 -1.341 10.685) 13.007 22.872 ( 2.952 1.175 -3.825) 4.973 23.012 ( 8.043 2.103 0.832) 8.355 23.114 ( -1.908 -0.418 -5.196) 5.551 23.262 ( 4.096 -0.082 -2.012) 4.564 23.307 ( 2.414 0.056 1.483) 2.833 23.399 ( -2.785 1.590 -6.554) 7.296 23.495 ( 2.117 -1.382 17.176) 17.361 23.830 ( -7.373 0.264 2.994) 7.962 23.893 ( -1.737 1.596 1.782) 2.956 24.008 ( -4.372 2.178 -4.724) 6.796 24.082 ( 3.369 1.173 -5.983) 6.966 24.341 ( -4.011 -0.382 2.352) 4.665 24.436 ( -12.918 -1.136 -15.599) 20.286 24.474 ( -11.150 -0.403 -3.858) 11.805 24.580 ( 8.111 1.505 7.128) 10.903 24.787 ( 5.106 1.742 1.513) 5.603 24.994 ( 2.746 2.094 9.438) 10.050 25.216 ( 6.632 -1.273 -1.441) 6.905 25.381 ( 22.514 -5.007 -1.896) 23.142 25.461 ( -13.456 1.885 -8.449) 16.000 25.641 ( 16.604 -1.715 12.575) 20.899 25.837 ( 2.693 -0.526 -0.397) 2.772 25.859 ( 27.432 -4.338 -1.022) 27.792 25.952 ( 5.743 -0.247 -5.532) 7.977 26.100 ( 8.662 -4.707 -6.115) 11.601 26.520 ( 9.860 -0.619 -9.635) 13.800 26.654 ( -2.216 -0.445 13.734) 13.919 26.883 ( 0.684 -0.192 -0.264) 0.758 26.905 ( 10.318 -0.750 -1.774) 10.497 27.476 ( -8.751 -3.685 -19.818) 21.975 27.585 ( -34.599 -7.027 7.433) 36.079 27.891 ( -20.451 -7.206 4.884) 22.227 28.009 ( -16.526 -8.294 2.787) 18.699 28.322 ( -2.784 -8.770 14.729) 17.367 28.373 ( 5.246 -1.319 -2.648) 6.022 28.675 ( -1.616 -4.317 -3.583) 5.838 28.682 ( -13.970 -3.113 3.624) 14.764 28.757 ( -5.805 -3.321 -0.742) 6.729 29.020 ( 9.789 -2.849 9.983) 14.269 29.232 ( 11.385 -3.463 -4.612) 12.763 29.419 ( 6.956 -1.863 -1.533) 7.362 29.516 ( -1.854 -1.925 -0.708) 2.765 29.820 ( -4.594 -3.643 -3.839) 7.008 29.892 ( 0.724 -3.040 -8.232) 8.805 30.193 ( 11.018 -2.429 -6.012) 12.784 30.245 ( 0.434 -4.172 -0.347) 4.209 30.699 ( 2.860 -2.139 10.123) 10.735 30.760 ( -2.553 -0.461 -0.624) 2.668 30.841 ( -1.633 -2.507 -0.808) 3.099 30.921 ( -2.365 -1.934 2.008) 3.656 30.962 ( -1.887 -4.393 2.121) 5.230 31.024 ( 2.993 -7.667 -0.107) 8.231 31.197 ( 3.091 -3.754 5.923) 7.663 31.230 ( 1.320 -3.333 2.668) 4.468 31.459 ( -3.902 -6.727 -4.559) 9.014 31.547 ( 4.182 -2.651 -6.061) 7.826 31.654 ( 3.233 -4.867 4.536) 7.397 31.797 ( -4.078 -2.573 -1.724) 5.121 32.006 ( -0.623 -7.045 -8.889) 11.360 32.062 ( 3.641 -5.022 -9.291) 11.171 32.207 ( 0.630 -2.907 3.415) 4.528 32.350 ( -6.785 -5.611 -1.091) 8.872 32.690 ( -3.602 -5.303 9.787) 11.700 33.000 ( -6.730 -2.463 5.720) 9.169 33.152 ( -8.306 -3.142 0.590) 8.900 33.301 ( -1.179 -2.016 3.650) 4.333 33.692 ( 4.796 0.020 -8.201) 9.501 33.901 ( 2.790 -2.920 -20.049) 20.452 34.287 ( 15.063 0.417 19.480) 24.628 34.836 ( 16.390 -6.093 8.923) 19.631 35.589 ( 7.444 -0.491 15.688) 17.371 36.970 ( -33.159 -21.602 -30.420) 49.916 ======================= Grid point 72 (30/54) ======================= q-point: (-0.50 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 9.398 5.828) 11.059 2.165 ( 0.000 16.076 1.929) 16.191 2.185 ( 0.000 10.987 7.098) 13.080 2.342 ( 0.000 6.328 4.049) 7.513 2.573 ( 0.000 2.901 0.504) 2.944 2.627 ( -0.000 -3.997 2.359) 4.641 2.703 ( 0.000 8.579 -11.311) 14.197 2.847 ( 0.000 9.884 -11.084) 14.851 2.857 ( -0.000 6.568 -1.655) 6.773 2.969 ( -0.000 5.589 -2.268) 6.032 3.077 ( 0.000 0.881 1.073) 1.388 3.098 ( 0.000 0.256 2.304) 2.318 3.201 ( 0.000 0.615 -2.122) 2.210 3.245 ( -0.000 0.796 -1.317) 1.539 3.271 ( -0.000 2.186 4.813) 5.286 3.273 ( 0.000 5.179 3.085) 6.028 3.315 ( -0.000 2.205 1.541) 2.690 3.320 ( 0.000 1.506 1.662) 2.242 3.477 ( 0.000 1.592 0.830) 1.796 3.508 ( 0.000 3.597 0.226) 3.605 3.543 ( -0.000 4.509 4.131) 6.116 3.705 ( 0.000 1.928 4.725) 5.103 3.834 ( -0.000 8.065 -1.023) 8.130 3.883 ( -0.000 -1.861 -1.391) 2.323 3.957 ( 0.000 2.316 -2.775) 3.614 4.064 ( 0.000 5.993 6.116) 8.563 4.137 ( 0.000 -6.388 -2.383) 6.818 4.249 ( 0.000 1.041 1.128) 1.534 4.347 ( 0.000 -6.142 3.776) 7.210 4.363 ( 0.000 -7.487 3.189) 8.138 4.592 ( 0.000 -3.422 -3.480) 4.880 4.625 ( 0.000 -5.102 -2.546) 5.702 5.284 ( 0.000 -2.006 -2.338) 3.081 5.398 ( 0.000 -3.391 -4.855) 5.922 5.479 ( 0.000 -4.563 4.188) 6.193 5.563 ( -0.000 -4.878 1.406) 5.077 6.302 ( 0.000 -4.605 -0.352) 4.619 6.330 ( -0.000 -4.528 0.688) 4.580 6.445 ( 0.000 0.258 3.110) 3.121 6.579 ( 0.000 -5.603 15.931) 16.888 6.603 ( -0.000 -2.572 20.604) 20.764 6.623 ( 0.000 -0.599 5.148) 5.183 6.941 ( 0.000 -3.005 -12.636) 12.988 7.008 ( 0.000 0.410 -9.851) 9.859 7.144 ( 0.000 -1.633 -2.271) 2.797 7.215 ( -0.000 -4.278 -1.184) 4.439 7.433 ( -0.000 -3.415 3.539) 4.918 7.490 ( 0.000 -3.297 4.638) 5.690 7.676 ( 0.000 -3.932 10.499) 11.211 7.690 ( 0.000 -2.136 -0.031) 2.136 7.847 ( 0.000 -0.669 -3.162) 3.232 7.864 ( -0.000 -3.883 -12.716) 13.296 8.156 ( 0.000 -2.063 -0.144) 2.068 8.239 ( 0.000 -7.189 -0.588) 7.213 8.326 ( 0.000 -1.585 -8.096) 8.250 8.455 ( 0.000 1.569 2.532) 2.978 8.512 ( 0.000 1.100 -9.367) 9.432 8.669 ( 0.000 0.126 12.419) 12.419 8.730 ( 0.000 2.531 -7.823) 8.223 8.821 ( -0.000 -2.344 0.133) 2.348 8.934 ( -0.000 2.021 -5.140) 5.523 8.966 ( 0.000 0.396 -5.222) 5.237 9.241 ( -0.000 -1.061 -10.129) 10.184 9.391 ( 0.000 -2.753 -15.163) 15.411 9.592 ( 0.000 -1.358 2.149) 2.542 9.683 ( -0.000 2.314 0.713) 2.421 9.896 ( 0.000 -2.976 -7.191) 7.783 9.926 ( 0.000 -0.811 -4.313) 4.389 9.963 ( -0.000 -0.213 -1.818) 1.830 10.117 ( -0.000 -3.948 1.119) 4.103 10.175 ( 0.000 0.103 -6.867) 6.868 10.198 ( -0.000 -2.446 -8.737) 9.073 10.531 ( 0.000 -4.613 3.811) 5.984 10.641 ( -0.000 -3.194 9.832) 10.338 10.695 ( 0.000 -1.562 4.669) 4.923 10.754 ( -0.000 -2.560 1.929) 3.206 11.051 ( 0.000 -5.571 -4.800) 7.354 11.101 ( 0.000 -6.008 -5.913) 8.430 11.226 ( -0.000 -1.971 5.143) 5.507 11.379 ( -0.000 -1.145 -1.266) 1.707 11.458 ( 0.000 -1.136 -0.127) 1.144 11.505 ( -0.000 -0.811 14.303) 14.326 11.682 ( 0.000 -2.570 -7.385) 7.819 11.788 ( -0.000 -2.827 -2.619) 3.854 11.897 ( 0.000 -0.401 5.632) 5.646 12.113 ( -0.000 -1.054 12.784) 12.827 12.122 ( 0.000 -0.386 11.000) 11.006 12.209 ( 0.000 -1.263 10.939) 11.011 12.245 ( 0.000 2.312 -0.550) 2.376 12.370 ( -0.000 -1.037 7.247) 7.321 12.449 ( 0.000 -1.349 -2.433) 2.782 12.501 ( 0.000 0.731 0.132) 0.743 12.520 ( -0.000 0.604 1.571) 1.683 12.642 ( 0.000 0.866 -0.880) 1.235 12.651 ( -0.000 -0.396 -8.192) 8.201 12.717 ( 0.000 -0.243 -1.632) 1.651 12.817 ( 0.000 -1.345 -2.399) 2.750 12.898 ( 0.000 1.555 -2.923) 3.311 13.107 ( 0.000 -0.620 3.854) 3.903 13.151 ( -0.000 -1.127 3.103) 3.301 13.219 ( -0.000 4.191 -4.325) 6.022 13.313 ( 0.000 -0.824 -0.911) 1.229 13.367 ( 0.000 0.981 -2.764) 2.933 13.425 ( 0.000 -1.820 -5.709) 5.992 13.787 ( 0.000 1.379 1.416) 1.977 13.838 ( -0.000 0.217 3.317) 3.324 13.875 ( 0.000 0.378 9.632) 9.640 13.993 ( 0.000 0.986 1.504) 1.799 14.148 ( 0.000 -2.676 9.852) 10.209 14.190 ( 0.000 -1.578 7.778) 7.936 14.652 ( 0.000 2.113 -5.719) 6.097 14.699 ( -0.000 4.414 -2.644) 5.146 14.932 ( 0.000 -4.211 -13.027) 13.690 15.008 ( -0.000 3.742 -5.440) 6.603 15.192 ( -0.000 -3.786 -4.023) 5.525 15.264 ( 0.000 -0.843 -8.741) 8.782 15.325 ( 0.000 3.167 3.190) 4.495 15.409 ( 0.000 -0.220 -4.292) 4.297 15.558 ( 0.000 0.878 11.449) 11.483 15.757 ( -0.000 -0.360 11.014) 11.020 16.026 ( 0.000 0.077 8.077) 8.077 16.063 ( 0.000 0.594 3.766) 3.813 16.203 ( -0.000 3.331 -3.963) 5.177 16.227 ( 0.000 1.638 1.364) 2.132 16.818 ( 0.000 -0.293 -14.329) 14.332 16.831 ( -0.000 0.346 -15.604) 15.608 17.169 ( 0.000 0.072 -11.369) 11.369 17.185 ( -0.000 0.115 -14.881) 14.882 17.604 ( -0.000 1.251 6.405) 6.526 17.817 ( -0.000 -0.354 5.621) 5.633 17.857 ( 0.000 0.285 5.777) 5.784 17.914 ( 0.000 0.305 7.980) 7.986 18.047 ( -0.000 0.125 3.980) 3.982 18.047 ( 0.000 -1.068 0.802) 1.336 18.120 ( 0.000 -0.542 -6.194) 6.218 18.228 ( 0.000 -2.235 -2.897) 3.659 18.454 ( 0.000 1.041 3.430) 3.584 18.486 ( -0.000 0.486 1.185) 1.280 18.566 ( 0.000 3.833 -1.482) 4.109 18.591 ( 0.000 2.333 6.738) 7.131 18.728 ( 0.000 0.119 -5.839) 5.841 18.769 ( 0.000 -0.034 -2.935) 2.935 18.803 ( 0.000 -2.177 5.962) 6.347 18.886 ( 0.000 -0.730 -1.251) 1.449 19.150 ( 0.000 0.624 -1.281) 1.424 19.255 ( 0.000 -0.028 -2.838) 2.838 19.569 ( -0.000 -1.641 13.335) 13.435 19.600 ( 0.000 -1.091 12.513) 12.561 19.971 ( -0.000 0.553 5.565) 5.593 19.977 ( 0.000 0.839 5.554) 5.617 20.317 ( -0.000 2.627 -4.111) 4.879 20.388 ( 0.000 2.090 -1.829) 2.777 20.451 ( 0.000 -0.227 0.357) 0.423 20.502 ( 0.000 -0.512 7.053) 7.071 20.573 ( 0.000 -0.951 -4.344) 4.447 20.635 ( -0.000 -1.406 -8.597) 8.711 20.869 ( -0.000 -1.510 -2.968) 3.331 20.929 ( 0.000 -2.799 -2.184) 3.550 21.150 ( -0.000 -0.348 0.878) 0.944 21.150 ( 0.000 -0.781 4.638) 4.704 21.180 ( -0.000 0.112 1.994) 1.997 21.285 ( 0.000 0.630 -1.736) 1.847 21.430 ( -0.000 -2.179 -5.070) 5.519 21.434 ( 0.000 -3.043 -4.070) 5.081 22.137 ( 0.000 0.524 8.406) 8.423 22.237 ( 0.000 -0.147 8.781) 8.782 22.535 ( -0.000 0.108 1.382) 1.386 22.608 ( 0.000 -0.356 1.996) 2.027 22.889 ( 0.000 1.358 -5.944) 6.097 22.907 ( -0.000 1.216 -5.746) 5.873 23.234 ( 0.000 -0.894 -3.929) 4.030 23.237 ( -0.000 -1.471 -5.488) 5.682 23.364 ( 0.000 2.015 3.786) 4.289 23.371 ( -0.000 1.509 3.773) 4.063 23.629 ( -0.000 -0.996 9.473) 9.525 23.646 ( 0.000 -0.461 8.486) 8.498 23.901 ( 0.000 2.379 -0.645) 2.465 23.922 ( -0.000 2.360 0.625) 2.441 24.178 ( 0.000 -0.332 -9.428) 9.434 24.213 ( 0.000 -0.864 -6.294) 6.353 24.322 ( 0.000 0.130 -7.231) 7.232 24.347 ( 0.000 -0.132 -3.857) 3.859 24.722 ( 0.000 2.056 7.848) 8.112 24.764 ( -0.000 2.071 6.288) 6.620 25.160 ( 0.000 1.899 -1.516) 2.430 25.177 ( -0.000 2.462 -1.512) 2.889 25.407 ( -0.000 -1.622 -9.097) 9.240 25.450 ( 0.000 -1.826 -10.582) 10.738 25.817 ( 0.000 -0.576 4.622) 4.657 25.859 ( -0.000 -0.831 2.618) 2.747 26.148 ( -0.000 -3.270 10.416) 10.918 26.269 ( 0.000 -2.172 16.195) 16.340 26.476 ( -0.000 -2.927 -0.550) 2.978 26.509 ( 0.000 -6.906 -4.921) 8.480 26.801 ( 0.000 -5.330 -5.504) 7.662 26.920 ( -0.000 -3.648 -0.025) 3.649 26.957 ( 0.000 -8.376 2.862) 8.852 27.096 ( -0.000 -15.817 1.826) 15.922 27.285 ( -0.000 -2.223 -21.355) 21.471 27.298 ( 0.000 -3.229 -15.070) 15.412 28.055 ( -0.000 -1.621 18.360) 18.431 28.243 ( 0.000 -5.307 20.590) 21.263 28.485 ( 0.000 -1.743 1.189) 2.110 28.487 ( -0.000 -0.888 -2.469) 2.624 28.626 ( 0.000 -5.683 -1.461) 5.868 28.658 ( 0.000 -5.547 0.267) 5.554 29.266 ( -0.000 -1.335 1.546) 2.043 29.270 ( 0.000 -0.761 4.083) 4.153 29.481 ( -0.000 -3.354 -10.466) 10.991 29.521 ( 0.000 -3.579 -7.922) 8.693 29.774 ( 0.000 -3.692 -0.667) 3.752 29.808 ( -0.000 -3.724 -0.630) 3.777 30.296 ( 0.000 -1.595 -0.346) 1.632 30.331 ( -0.000 -2.231 0.789) 2.367 30.764 ( -0.000 -0.499 -0.886) 1.017 30.764 ( 0.000 0.568 2.074) 2.150 30.812 ( -0.000 -0.995 3.327) 3.473 30.853 ( 0.000 -2.181 1.653) 2.736 30.967 ( 0.000 -4.822 -1.554) 5.066 31.025 ( -0.000 -6.777 -2.811) 7.337 31.171 ( 0.000 -6.839 4.428) 8.147 31.237 ( -0.000 -7.687 4.259) 8.788 31.499 ( 0.000 -3.214 -4.907) 5.866 31.592 ( 0.000 -2.245 -4.999) 5.480 31.710 ( 0.000 -3.094 4.660) 5.594 31.729 ( 0.000 -3.305 2.994) 4.459 31.974 ( 0.000 -7.703 -8.072) 11.158 32.110 ( 0.000 -7.331 -7.654) 10.598 32.222 ( 0.000 -4.526 1.674) 4.825 32.256 ( 0.000 -1.887 0.964) 2.119 32.733 ( 0.000 -6.854 1.325) 6.981 32.753 ( 0.000 -2.691 0.445) 2.727 33.173 ( 0.000 -1.260 5.953) 6.085 33.280 ( -0.000 -3.707 6.289) 7.300 33.754 ( 0.000 0.413 -10.177) 10.185 33.898 ( 0.000 -2.758 -18.799) 19.000 34.539 ( 0.000 0.474 28.515) 28.519 34.882 ( -0.000 -7.014 25.483) 26.430 36.085 ( 0.000 -5.827 -21.076) 21.867 36.243 ( -0.000 -10.198 -16.126) 19.080 ======================= Grid point 75 (31/54) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 0.000 11.488 5.812) 12.874 2.135 ( 0.000 9.293 11.653) 14.905 2.264 ( 0.000 -1.154 -0.203) 1.172 2.539 ( 0.000 8.461 1.454) 8.585 2.691 ( 0.000 3.034 -8.869) 9.374 2.805 ( 0.000 4.733 1.994) 5.136 2.818 ( 0.000 3.171 -6.645) 7.363 2.881 ( 0.000 1.368 0.286) 1.398 2.955 ( 0.000 0.797 -3.038) 3.141 3.010 ( 0.000 3.570 0.294) 3.582 3.105 ( 0.000 -3.689 3.345) 4.980 3.112 ( 0.000 4.428 5.607) 7.145 3.139 ( 0.000 16.483 0.717) 16.498 3.232 ( 0.000 7.223 -1.545) 7.386 3.243 ( 0.000 6.864 -5.933) 9.073 3.271 ( 0.000 -0.039 2.756) 2.757 3.388 ( 0.000 5.362 -0.700) 5.408 3.396 ( 0.000 -1.488 -2.519) 2.925 3.479 ( 0.000 -0.633 1.652) 1.769 3.533 ( 0.000 0.326 3.259) 3.275 3.593 ( 0.000 -0.956 2.953) 3.103 3.721 ( 0.000 -1.977 9.577) 9.779 3.810 ( 0.000 -0.489 -4.510) 4.536 3.877 ( 0.000 14.543 2.239) 14.714 3.976 ( 0.000 -7.576 0.629) 7.602 4.076 ( 0.000 5.146 -2.155) 5.579 4.108 ( 0.000 -7.671 2.496) 8.067 4.254 ( 0.000 -4.211 5.221) 6.708 4.295 ( 0.000 1.595 -3.786) 4.109 4.505 ( 0.000 -7.034 -3.606) 7.904 4.631 ( 0.000 -2.325 4.019) 4.643 4.839 ( 0.000 -5.332 -3.094) 6.164 4.949 ( 0.000 1.224 2.369) 2.667 5.058 ( 0.000 -1.823 -2.088) 2.772 5.665 ( 0.000 -0.781 -1.670) 1.843 5.717 ( 0.000 -2.334 -3.256) 4.006 6.004 ( 0.000 -0.102 10.935) 10.935 6.282 ( 0.000 -1.384 11.994) 12.073 6.289 ( 0.000 -1.200 10.503) 10.572 6.388 ( 0.000 -6.523 3.612) 7.456 6.480 ( 0.000 -9.627 0.192) 9.629 6.519 ( 0.000 0.419 -0.099) 0.430 6.651 ( 0.000 -3.187 13.766) 14.130 6.683 ( 0.000 -1.448 2.627) 2.999 7.020 ( 0.000 -6.220 -12.994) 14.406 7.054 ( 0.000 -3.057 -0.315) 3.073 7.278 ( 0.000 -4.084 -17.129) 17.609 7.444 ( 0.000 -2.126 -6.277) 6.628 7.634 ( 0.000 1.046 7.430) 7.503 7.721 ( 0.000 -0.473 4.316) 4.342 7.937 ( 0.000 -5.087 1.667) 5.354 8.093 ( 0.000 -2.776 -7.549) 8.043 8.134 ( 0.000 0.225 -10.733) 10.735 8.201 ( 0.000 0.611 9.105) 9.126 8.272 ( 0.000 -15.778 -6.090) 16.913 8.481 ( 0.000 -3.710 6.394) 7.392 8.634 ( 0.000 -0.342 -11.364) 11.370 8.708 ( 0.000 1.481 -7.171) 7.322 8.777 ( 0.000 3.486 9.043) 9.692 8.802 ( 0.000 -0.428 -15.905) 15.911 8.930 ( 0.000 0.107 -3.717) 3.718 9.202 ( 0.000 2.027 -2.691) 3.369 9.287 ( 0.000 -1.506 -2.113) 2.595 9.540 ( 0.000 0.566 -3.282) 3.330 9.607 ( 0.000 0.031 -21.883) 21.883 9.740 ( 0.000 0.917 -17.283) 17.307 9.775 ( 0.000 -0.496 0.266) 0.563 9.803 ( 0.000 -2.121 -0.113) 2.124 10.112 ( 0.000 2.181 3.930) 4.495 10.283 ( 0.000 -1.659 -6.526) 6.733 10.361 ( 0.000 -4.248 8.537) 9.535 10.385 ( 0.000 -0.336 7.167) 7.175 10.488 ( 0.000 -1.607 17.655) 17.728 10.649 ( 0.000 1.235 -3.155) 3.388 10.652 ( 0.000 -4.264 -3.779) 5.697 10.845 ( 0.000 -5.233 5.610) 7.672 10.859 ( 0.000 -5.295 -1.816) 5.598 11.072 ( 0.000 -3.099 6.141) 6.879 11.090 ( 0.000 -3.898 -6.057) 7.203 11.169 ( 0.000 -2.819 -5.864) 6.506 11.314 ( 0.000 -0.596 1.593) 1.701 11.432 ( 0.000 0.760 -3.273) 3.360 11.542 ( 0.000 1.179 5.796) 5.915 11.835 ( 0.000 -3.046 18.624) 18.872 11.868 ( 0.000 -0.946 22.237) 22.257 12.076 ( 0.000 -0.618 -8.450) 8.472 12.138 ( 0.000 0.320 5.978) 5.987 12.144 ( 0.000 0.206 17.409) 17.411 12.199 ( 0.000 0.700 4.528) 4.582 12.287 ( 0.000 -0.378 -6.391) 6.402 12.369 ( 0.000 -3.796 -7.005) 7.968 12.393 ( 0.000 -0.272 -0.388) 0.474 12.410 ( 0.000 1.536 -1.812) 2.375 12.544 ( 0.000 1.285 -0.455) 1.363 12.799 ( 0.000 -0.627 1.809) 1.915 12.837 ( 0.000 2.381 -8.530) 8.856 12.860 ( 0.000 -0.077 -7.380) 7.380 12.933 ( 0.000 0.612 11.283) 11.300 12.973 ( 0.000 -0.624 1.987) 2.083 13.042 ( 0.000 -0.128 2.880) 2.883 13.229 ( 0.000 -4.207 -5.220) 6.704 13.247 ( 0.000 -0.963 6.101) 6.177 13.256 ( 0.000 -2.036 -3.551) 4.094 13.324 ( 0.000 -2.844 -3.970) 4.883 13.675 ( 0.000 -0.363 -11.337) 11.343 13.697 ( 0.000 2.260 -8.161) 8.468 13.735 ( 0.000 1.243 4.016) 4.204 13.985 ( 0.000 -0.001 18.118) 18.118 14.080 ( 0.000 4.164 1.404) 4.394 14.236 ( 0.000 -0.177 2.453) 2.460 14.455 ( 0.000 0.850 13.612) 13.639 14.593 ( 0.000 -0.150 -6.182) 6.184 14.893 ( 0.000 -0.090 12.123) 12.123 15.037 ( 0.000 4.319 -4.259) 6.066 15.220 ( 0.000 0.649 -19.830) 19.841 15.333 ( 0.000 -2.509 -6.496) 6.964 15.365 ( 0.000 -4.442 -10.627) 11.518 15.627 ( 0.000 3.468 -14.572) 14.979 15.793 ( 0.000 -1.209 6.207) 6.324 15.983 ( 0.000 -0.139 6.453) 6.455 16.006 ( 0.000 -0.161 1.376) 1.385 16.134 ( 0.000 3.358 6.433) 7.256 16.349 ( 0.000 1.399 -13.712) 13.783 16.548 ( 0.000 0.548 -8.518) 8.536 16.840 ( 0.000 0.551 13.361) 13.372 17.178 ( 0.000 -0.480 -10.264) 10.275 17.228 ( 0.000 1.297 -4.670) 4.847 17.278 ( 0.000 0.092 18.896) 18.896 17.380 ( 0.000 -2.450 -12.410) 12.650 17.523 ( 0.000 0.494 11.961) 11.971 17.826 ( 0.000 4.839 4.639) 6.703 17.994 ( 0.000 1.658 19.009) 19.082 18.016 ( 0.000 -0.054 -7.634) 7.635 18.123 ( 0.000 -2.613 11.199) 11.499 18.153 ( 0.000 -0.297 2.212) 2.231 18.191 ( 0.000 -0.008 -3.765) 3.765 18.252 ( 0.000 -1.306 -13.872) 13.933 18.400 ( 0.000 -0.579 -1.825) 1.914 18.606 ( 0.000 0.354 -3.271) 3.290 18.674 ( 0.000 0.038 -10.914) 10.914 18.716 ( 0.000 2.016 -3.587) 4.115 18.759 ( 0.000 0.502 -3.406) 3.443 18.874 ( 0.000 0.295 0.675) 0.736 18.929 ( 0.000 -0.147 3.969) 3.972 19.110 ( 0.000 0.433 -4.136) 4.158 19.153 ( 0.000 0.002 -8.113) 8.113 19.471 ( 0.000 0.320 9.525) 9.530 19.536 ( 0.000 -0.460 8.951) 8.963 19.625 ( 0.000 0.497 7.937) 7.953 19.803 ( 0.000 1.017 -0.227) 1.042 20.033 ( 0.000 -0.220 13.213) 13.215 20.185 ( 0.000 -0.065 11.389) 11.389 20.573 ( 0.000 -0.615 8.612) 8.634 20.699 ( 0.000 -0.398 -6.070) 6.083 20.832 ( 0.000 0.927 -5.695) 5.770 20.839 ( 0.000 -0.717 -8.197) 8.228 20.928 ( 0.000 -0.697 1.376) 1.543 21.021 ( 0.000 -0.595 3.985) 4.029 21.082 ( 0.000 -0.018 -11.991) 11.991 21.100 ( 0.000 -0.932 0.321) 0.986 21.208 ( 0.000 -1.866 -6.528) 6.789 21.310 ( 0.000 0.628 10.851) 10.869 21.494 ( 0.000 -0.479 2.117) 2.171 21.554 ( 0.000 -0.176 -5.843) 5.846 21.902 ( 0.000 -0.813 -5.404) 5.465 22.256 ( 0.000 -2.437 -10.090) 10.380 22.728 ( 0.000 0.210 4.670) 4.674 22.729 ( 0.000 1.992 14.798) 14.932 22.791 ( 0.000 1.664 0.632) 1.781 22.897 ( 0.000 2.034 3.882) 4.382 23.118 ( 0.000 -1.485 -2.246) 2.693 23.150 ( 0.000 0.771 2.229) 2.359 23.330 ( 0.000 1.545 -0.825) 1.752 23.455 ( 0.000 -0.124 10.881) 10.881 23.491 ( 0.000 0.717 -4.823) 4.876 23.929 ( 0.000 2.053 2.860) 3.520 23.950 ( 0.000 0.525 -4.056) 4.090 24.023 ( 0.000 0.349 -9.151) 9.158 24.163 ( 0.000 3.393 -6.198) 7.066 24.397 ( 0.000 0.382 7.490) 7.500 24.523 ( 0.000 1.882 3.887) 4.318 24.615 ( 0.000 -1.169 -18.277) 18.315 24.652 ( 0.000 0.412 -6.031) 6.045 24.674 ( 0.000 -0.184 6.883) 6.885 24.983 ( 0.000 -0.089 2.020) 2.022 25.003 ( 0.000 -0.009 0.047) 0.048 25.208 ( 0.000 -1.206 3.217) 3.435 25.324 ( 0.000 0.464 16.409) 16.415 25.393 ( 0.000 -1.306 9.709) 9.797 25.728 ( 0.000 0.910 -12.038) 12.072 25.882 ( 0.000 0.622 -11.549) 11.566 25.974 ( 0.000 0.523 0.071) 0.528 26.069 ( 0.000 -1.157 -6.027) 6.137 26.178 ( 0.000 -0.266 -20.664) 20.665 26.726 ( 0.000 -0.401 19.585) 19.589 26.810 ( 0.000 -0.105 5.060) 5.061 26.893 ( 0.000 0.045 -0.465) 0.467 27.497 ( 0.000 -2.368 -17.402) 17.563 27.826 ( 0.000 -0.906 10.254) 10.294 28.122 ( 0.000 -2.607 11.954) 12.235 28.212 ( 0.000 -4.424 7.252) 8.495 28.214 ( 0.000 -4.893 -5.658) 7.480 28.329 ( 0.000 -5.301 0.191) 5.304 28.352 ( 0.000 -3.221 -0.549) 3.268 28.796 ( 0.000 -0.373 1.059) 1.123 28.861 ( 0.000 -6.934 0.448) 6.948 28.899 ( 0.000 -1.003 -2.752) 2.929 28.911 ( 0.000 -4.750 -0.259) 4.757 29.282 ( 0.000 -0.437 10.495) 10.504 29.496 ( 0.000 -0.436 -2.280) 2.321 29.804 ( 0.000 -1.200 -11.754) 11.815 29.852 ( 0.000 -2.750 6.245) 6.824 29.952 ( 0.000 -0.494 -19.527) 19.533 30.215 ( 0.000 -3.939 -3.741) 5.432 30.642 ( 0.000 -1.322 11.402) 11.478 30.774 ( 0.000 -1.846 1.413) 2.325 30.790 ( 0.000 -4.767 1.423) 4.974 30.841 ( 0.000 -0.457 0.346) 0.574 30.891 ( 0.000 -4.734 -0.734) 4.791 30.963 ( 0.000 -1.272 -5.666) 5.807 31.014 ( 0.000 -0.846 9.978) 10.014 31.218 ( 0.000 -2.346 5.866) 6.318 31.436 ( 0.000 -0.573 -5.831) 5.859 31.462 ( 0.000 -2.837 4.153) 5.030 31.538 ( 0.000 -4.866 -0.731) 4.921 31.783 ( 0.000 -1.669 -4.736) 5.021 31.867 ( 0.000 -4.759 -6.829) 8.324 31.973 ( 0.000 -1.908 -15.067) 15.187 32.143 ( 0.000 -2.359 6.142) 6.579 32.319 ( 0.000 -3.585 -3.480) 4.996 32.787 ( 0.000 -4.392 13.937) 14.612 32.792 ( 0.000 -2.807 19.380) 19.582 33.256 ( 0.000 -2.276 -1.802) 2.903 33.453 ( 0.000 -4.952 -10.003) 11.161 33.584 ( 0.000 -1.027 -8.626) 8.687 33.658 ( 0.000 -3.885 -12.104) 12.713 34.117 ( 0.000 -1.263 11.995) 12.062 34.476 ( 0.000 -5.960 0.116) 5.961 35.487 ( 0.000 -6.408 25.495) 26.288 36.754 ( 0.000 -25.169 -23.832) 34.662 ======================= Grid point 76 (32/54) ======================= q-point: ( 0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 2.411 10.361 3.572) 11.222 2.259 ( 4.547 5.166 2.428) 7.298 2.329 ( 6.269 0.267 2.045) 6.599 2.533 ( -0.915 7.957 1.397) 8.130 2.647 ( -3.294 5.676 -3.139) 7.275 2.714 ( -7.415 4.436 0.315) 8.646 2.831 ( 1.040 3.740 -4.874) 6.231 2.935 ( 3.018 0.861 0.779) 3.234 2.989 ( 3.094 0.234 -3.151) 4.423 3.012 ( -1.291 1.155 -0.947) 1.974 3.084 ( 0.618 5.985 0.830) 6.074 3.120 ( 3.909 4.261 4.857) 7.552 3.181 ( 0.496 8.106 -2.745) 8.573 3.251 ( 0.497 2.382 -0.487) 2.482 3.262 ( 1.093 2.925 3.530) 4.712 3.308 ( 3.090 2.616 1.123) 4.202 3.398 ( 2.293 3.732 0.267) 4.388 3.423 ( 0.539 4.163 0.196) 4.203 3.485 ( 1.056 -0.177 0.143) 1.080 3.552 ( -0.162 2.341 -0.428) 2.385 3.569 ( 2.087 2.151 5.251) 6.047 3.740 ( 0.749 1.635 4.396) 4.750 3.809 ( 1.927 -4.796 -0.143) 5.171 3.956 ( 2.993 1.999 -1.123) 3.770 3.981 ( -1.163 0.657 -1.953) 2.366 4.031 ( -0.107 3.359 -1.250) 3.586 4.146 ( 3.445 -5.491 3.257) 7.255 4.259 ( -0.320 -1.482 4.898) 5.127 4.293 ( -1.308 2.562 -0.424) 2.908 4.442 ( -10.701 0.374 1.334) 10.790 4.531 ( -2.083 -6.781 -0.932) 7.155 4.656 ( -9.322 -0.329 -2.539) 9.667 5.129 ( 10.693 -4.551 -0.522) 11.633 5.145 ( 6.464 -3.023 -1.194) 7.235 5.552 ( -9.275 -1.127 0.434) 9.353 5.620 ( -8.727 -3.184 -1.614) 9.429 6.208 ( 10.060 -1.072 4.555) 11.095 6.236 ( 0.854 -1.782 1.367) 2.403 6.292 ( -1.568 -4.828 3.277) 6.043 6.401 ( 8.377 -0.734 15.870) 17.960 6.550 ( 5.624 -5.042 10.434) 12.881 6.618 ( 9.309 -3.620 11.920) 15.552 6.723 ( -0.389 -6.284 -9.542) 11.432 6.865 ( 6.746 -1.066 3.149) 7.520 6.953 ( 11.018 -1.562 -2.483) 11.402 7.066 ( -3.447 -5.493 -3.728) 7.480 7.342 ( 0.107 -0.922 -2.090) 2.287 7.402 ( -0.504 -0.730 -7.236) 7.290 7.467 ( 0.442 -4.698 -6.708) 8.202 7.864 ( -1.626 -2.680 -4.105) 5.165 7.926 ( -2.537 -3.245 1.517) 4.389 7.989 ( 2.985 -1.587 2.123) 3.992 8.015 ( -14.734 -2.067 7.055) 16.466 8.149 ( -4.536 -7.550 -3.592) 9.513 8.363 ( 2.366 -0.728 -6.819) 7.254 8.409 ( -4.139 -6.653 3.859) 8.734 8.583 ( -4.172 1.081 -5.709) 7.153 8.672 ( -4.029 -1.327 -2.100) 4.734 8.725 ( 1.118 1.924 -10.535) 10.767 8.978 ( 7.058 2.265 -8.481) 11.264 9.024 ( -2.926 -1.947 3.484) 4.949 9.108 ( 1.932 0.767 -8.402) 8.656 9.256 ( -11.599 -0.532 -3.973) 12.272 9.287 ( -16.980 1.007 -9.145) 19.312 9.590 ( -1.855 -0.247 -2.768) 3.342 9.769 ( -1.675 -0.551 4.749) 5.066 9.809 ( 4.791 -1.018 -14.234) 15.053 9.872 ( 1.855 -2.099 2.318) 3.636 9.989 ( -8.067 2.014 4.975) 9.689 10.079 ( 5.196 -1.002 0.914) 5.370 10.252 ( -9.694 -2.656 -0.057) 10.051 10.329 ( -6.049 -1.588 -18.728) 19.744 10.377 ( -1.552 -1.967 10.916) 11.200 10.558 ( -4.060 -0.976 -1.136) 4.328 10.658 ( -2.623 -1.637 7.036) 7.686 10.839 ( -3.839 -2.366 -4.286) 6.221 10.913 ( 0.220 -5.117 -4.745) 6.982 11.020 ( -2.941 -4.439 4.890) 7.229 11.232 ( 5.844 -0.826 1.332) 6.051 11.316 ( 2.564 -0.815 3.965) 4.792 11.393 ( 9.157 -2.740 -1.706) 9.710 11.461 ( 5.127 -1.307 -1.629) 5.535 11.483 ( -0.875 -0.746 8.906) 8.980 11.865 ( -3.841 -0.971 10.064) 10.816 11.891 ( 2.177 0.326 8.349) 8.634 12.064 ( 0.644 -1.322 2.151) 2.606 12.137 ( -0.443 0.296 16.751) 16.760 12.160 ( 1.179 1.885 6.195) 6.582 12.253 ( 4.717 -1.605 -0.343) 4.994 12.325 ( 3.818 -3.442 0.790) 5.200 12.376 ( 1.050 -0.604 -2.912) 3.154 12.413 ( 1.708 -2.245 -5.714) 6.372 12.521 ( 2.396 2.750 0.325) 3.661 12.628 ( 10.109 4.304 -0.789) 11.015 12.725 ( -6.488 0.748 -3.519) 7.419 12.727 ( -4.420 -0.012 -7.063) 8.332 12.846 ( -2.991 -1.472 0.743) 3.416 12.918 ( 0.789 -0.082 3.223) 3.319 13.017 ( 4.852 -0.946 2.424) 5.506 13.055 ( -4.988 -1.763 5.500) 7.631 13.211 ( 9.348 -2.400 -0.357) 9.658 13.247 ( 0.027 -0.005 -3.889) 3.889 13.340 ( 1.274 -0.116 -4.229) 4.418 13.513 ( 15.849 -1.924 6.120) 17.098 13.551 ( -2.382 0.662 -10.080) 10.378 13.731 ( 6.034 0.260 2.580) 6.567 13.960 ( 1.316 0.904 7.320) 7.492 14.000 ( 2.762 1.519 16.879) 17.171 14.165 ( 1.232 2.324 -6.018) 6.568 14.273 ( -12.488 -0.653 6.972) 14.317 14.372 ( 19.835 0.433 -6.422) 20.853 14.704 ( 6.592 -0.447 -1.925) 6.882 14.981 ( 0.819 0.509 2.464) 2.646 15.001 ( 0.312 3.537 -2.279) 4.220 15.112 ( -1.586 -0.504 -9.114) 9.265 15.261 ( -4.997 -2.416 -2.871) 6.249 15.305 ( -4.090 -3.279 -6.022) 7.984 15.507 ( -10.724 2.130 -11.837) 16.114 15.805 ( -5.668 2.107 2.995) 6.748 15.885 ( -3.411 0.097 3.330) 4.768 16.058 ( -0.410 1.256 5.108) 5.276 16.101 ( 2.941 0.039 3.670) 4.703 16.267 ( -19.950 -0.200 7.214) 21.216 16.488 ( -5.188 1.022 -6.190) 8.141 16.801 ( -3.560 0.534 -4.003) 5.384 16.825 ( -3.980 0.150 -5.703) 6.957 17.147 ( -2.027 0.839 -9.488) 9.738 17.299 ( -6.408 -1.942 -10.945) 12.831 17.572 ( 6.236 1.413 7.188) 9.620 17.670 ( 10.729 -0.264 1.792) 10.881 17.868 ( -1.221 1.639 5.346) 5.723 17.973 ( 0.897 0.314 4.269) 4.374 18.080 ( 0.483 0.251 -0.718) 0.901 18.099 ( -6.831 -0.569 -5.229) 8.622 18.102 ( 2.283 -0.551 6.194) 6.624 18.181 ( -1.907 -1.793 -2.756) 3.801 18.319 ( 10.733 0.272 5.083) 11.879 18.382 ( 1.934 0.105 3.528) 4.025 18.647 ( 0.120 2.192 -5.352) 5.785 18.680 ( -0.179 1.308 -0.364) 1.370 18.711 ( 2.202 0.336 -5.511) 5.944 18.774 ( 0.315 0.176 -3.057) 3.078 18.854 ( -4.174 -0.110 -0.338) 4.189 18.890 ( -2.760 -0.626 1.415) 3.164 19.115 ( 2.320 0.420 0.721) 2.466 19.210 ( 3.925 -0.083 -5.806) 7.009 19.504 ( 2.536 -0.488 11.169) 11.464 19.567 ( 1.739 -0.752 11.939) 12.089 19.759 ( 12.220 0.785 6.157) 13.706 19.942 ( 10.566 0.651 5.588) 11.970 20.152 ( 10.772 0.677 3.131) 11.238 20.265 ( 7.066 0.136 2.695) 7.564 20.511 ( -6.524 0.565 0.124) 6.550 20.581 ( -5.397 -1.463 2.183) 6.003 20.728 ( -11.653 1.662 -0.542) 11.783 20.825 ( -3.577 -1.105 -6.430) 7.440 20.887 ( -3.424 -1.753 2.156) 4.410 20.980 ( -9.450 0.122 -1.778) 9.617 21.024 ( 6.366 0.356 -1.063) 6.464 21.145 ( -7.702 -1.618 -9.033) 11.980 21.182 ( 2.769 -0.016 3.421) 4.402 21.279 ( -2.572 -0.789 -3.254) 4.222 21.388 ( 2.049 -1.991 -1.401) 3.182 21.511 ( -5.242 -0.068 -3.276) 6.182 22.183 ( 12.206 -0.384 -2.692) 12.505 22.300 ( 1.012 0.026 -3.901) 4.030 22.468 ( -8.012 1.788 9.854) 12.825 22.541 ( -7.919 -0.683 10.457) 13.135 22.904 ( 1.815 1.656 -3.588) 4.349 23.053 ( 9.017 1.706 1.233) 9.259 23.098 ( -1.805 -0.785 -6.414) 6.709 23.261 ( 1.997 -0.092 -4.693) 5.101 23.329 ( 1.037 1.646 3.773) 4.244 23.433 ( -0.959 1.673 -3.841) 4.298 23.474 ( 3.111 -0.744 16.316) 16.626 23.838 ( -8.777 0.607 3.238) 9.375 23.932 ( -0.556 1.944 1.751) 2.675 24.032 ( -1.219 0.522 -8.207) 8.313 24.130 ( -0.787 2.977 -3.967) 5.022 24.339 ( -4.258 0.115 2.347) 4.864 24.413 ( -13.857 -0.919 -13.834) 19.601 24.473 ( -9.270 0.065 -7.564) 11.965 24.611 ( 8.471 1.411 6.533) 10.790 24.819 ( 6.297 1.361 1.784) 6.685 25.035 ( 3.381 1.829 9.943) 10.660 25.196 ( 5.911 -0.731 -1.208) 6.077 25.310 ( 20.448 -2.292 -0.569) 20.584 25.501 ( -12.067 1.997 -7.503) 14.349 25.609 ( 17.580 -1.444 10.556) 20.556 25.774 ( 28.063 -3.141 0.847) 28.251 25.839 ( -1.684 0.106 -2.474) 2.994 25.957 ( 4.476 0.565 -6.370) 7.806 26.041 ( 4.045 -1.849 -3.073) 5.406 26.509 ( 9.565 -0.478 -9.358) 13.390 26.646 ( -2.160 -0.320 12.770) 12.955 26.880 ( 2.282 -0.128 -0.354) 2.312 26.891 ( 6.828 -0.558 -1.111) 6.941 27.399 ( -14.350 -3.694 -17.267) 22.753 27.469 ( -35.871 -4.467 4.543) 36.432 27.703 ( -36.877 -8.021 -4.409) 37.996 27.954 ( 2.019 -0.537 12.794) 12.963 28.187 ( 0.771 -4.730 16.266) 16.957 28.363 ( 5.061 -0.192 -4.303) 6.646 28.588 ( -0.325 -3.846 -5.355) 6.601 28.629 ( -14.878 -2.266 3.329) 15.414 28.711 ( -7.914 -1.530 0.054) 8.060 28.970 ( 13.244 -2.055 9.343) 16.338 29.169 ( 13.828 -2.632 -3.710) 14.557 29.389 ( 6.245 -1.149 -1.096) 6.444 29.486 ( -3.015 -1.114 -1.239) 3.444 29.760 ( -4.260 -2.198 -2.733) 5.518 29.835 ( -2.144 -2.497 -7.779) 8.446 30.154 ( 7.260 -1.436 -5.386) 9.153 30.181 ( 8.251 -2.236 -4.289) 9.564 30.660 ( 1.704 -1.619 9.397) 9.687 30.756 ( -0.728 0.129 0.485) 0.884 30.797 ( 0.757 -1.832 0.156) 1.988 30.872 ( 1.548 -3.399 -0.053) 3.735 30.885 ( 0.048 -3.621 1.596) 3.957 30.917 ( -1.011 -2.055 1.898) 2.975 31.122 ( -6.831 -3.011 2.821) 7.980 31.197 ( 8.107 -0.975 3.726) 8.975 31.341 ( -7.537 -4.491 -6.305) 10.804 31.513 ( 5.731 -1.285 -4.866) 7.627 31.577 ( 5.468 -2.853 5.851) 8.501 31.754 ( -4.212 -1.612 -2.577) 5.194 31.888 ( 0.165 -4.648 -6.517) 8.006 31.971 ( -0.771 -3.791 -8.645) 9.471 32.151 ( 0.635 -2.534 4.606) 5.295 32.274 ( -4.175 -2.175 -0.844) 4.782 32.587 ( -4.772 -4.562 9.983) 11.969 32.955 ( -7.374 -1.871 3.072) 8.205 33.066 ( -5.901 -4.855 1.028) 7.710 33.258 ( -2.899 -2.104 2.137) 4.171 33.682 ( 5.214 -0.824 -8.219) 9.768 33.827 ( 3.842 -3.956 -17.370) 18.224 34.259 ( 13.526 -2.428 17.284) 22.081 34.663 ( 11.670 -9.362 10.122) 18.064 35.509 ( 7.245 -5.831 11.647) 14.905 36.512 ( -23.251 -21.281 -21.245) 38.011 ======================= Grid point 77 (33/54) ======================= q-point: (-0.50 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 9.207 -1.807) 9.383 2.302 ( 0.000 1.392 -3.073) 3.374 2.411 ( 0.000 4.527 1.788) 4.867 2.497 ( 0.000 9.036 5.307) 10.479 2.608 ( 0.000 5.437 3.005) 6.212 2.627 ( -0.000 2.092 -1.510) 2.580 2.853 ( 0.000 4.378 -5.469) 7.006 2.955 ( 0.000 2.231 2.051) 3.031 2.977 ( -0.000 1.490 -4.130) 4.390 3.018 ( 0.000 0.202 -3.177) 3.183 3.108 ( -0.000 1.698 4.383) 4.701 3.176 ( -0.000 8.188 1.736) 8.370 3.236 ( 0.000 2.724 -0.999) 2.901 3.250 ( 0.000 -0.105 0.361) 0.376 3.276 ( -0.000 0.339 2.667) 2.689 3.296 ( 0.000 0.960 0.862) 1.290 3.430 ( 0.000 6.873 2.245) 7.231 3.436 ( 0.000 6.584 2.021) 6.887 3.501 ( 0.000 2.086 0.403) 2.125 3.565 ( 0.000 2.056 2.196) 3.008 3.631 ( 0.000 3.738 -0.643) 3.793 3.741 ( 0.000 2.448 1.308) 2.776 3.836 ( 0.000 -2.179 -1.500) 2.646 3.896 ( 0.000 -5.886 -0.173) 5.889 4.033 ( -0.000 -2.415 -1.593) 2.893 4.077 ( -0.000 10.673 -3.055) 11.102 4.208 ( 0.000 -3.659 5.071) 6.253 4.219 ( -0.000 1.203 4.599) 4.754 4.255 ( 0.000 2.122 3.792) 4.346 4.270 ( -0.000 -1.683 6.055) 6.284 4.530 ( 0.000 -3.735 -5.572) 6.709 4.561 ( 0.000 -0.055 -4.635) 4.636 5.240 ( 0.000 -2.280 -2.634) 3.484 5.301 ( 0.000 -5.592 -4.328) 7.071 5.409 ( -0.000 -2.366 4.585) 5.159 5.461 ( -0.000 -4.727 2.938) 5.566 6.225 ( 0.000 -3.036 -2.369) 3.851 6.242 ( -0.000 -4.041 -3.279) 5.204 6.423 ( -0.000 -2.591 2.412) 3.540 6.501 ( 0.000 -5.598 8.322) 10.029 6.516 ( -0.000 -0.286 15.770) 15.773 6.622 ( 0.000 -1.397 13.048) 13.122 6.891 ( 0.000 -1.385 -10.361) 10.453 7.001 ( 0.000 -1.078 -8.135) 8.206 7.094 ( 0.000 -3.313 -2.095) 3.920 7.099 ( -0.000 -6.569 -0.604) 6.597 7.363 ( 0.000 -2.954 5.102) 5.896 7.434 ( 0.000 -2.515 2.989) 3.906 7.609 ( 0.000 -2.539 5.726) 6.263 7.636 ( -0.000 -2.955 -1.633) 3.377 7.787 ( -0.000 -3.448 -5.728) 6.685 7.849 ( -0.000 0.169 -1.164) 1.176 8.074 ( -0.000 -7.937 1.840) 8.148 8.085 ( 0.000 -4.359 0.898) 4.451 8.286 ( 0.000 -1.796 -4.920) 5.237 8.403 ( -0.000 -4.465 3.810) 5.870 8.548 ( 0.000 1.269 -2.072) 2.430 8.648 ( -0.000 -1.953 8.152) 8.383 8.775 ( 0.000 1.808 -4.960) 5.279 8.801 ( -0.000 0.272 -5.713) 5.719 8.966 ( -0.001 -0.199 -5.721) 5.725 8.966 ( 0.001 1.009 -4.419) 4.533 9.222 ( -0.000 -0.604 -12.506) 12.521 9.330 ( -0.000 -3.186 -15.871) 16.188 9.609 ( 0.000 2.757 0.640) 2.830 9.725 ( -0.000 1.405 -3.390) 3.669 9.870 ( 0.000 0.546 -1.884) 1.961 9.920 ( 0.000 0.284 -6.224) 6.230 9.957 ( -0.000 -0.514 1.236) 1.339 10.040 ( -0.000 -3.528 -0.810) 3.620 10.165 ( 0.000 -0.916 -10.440) 10.480 10.169 ( -0.000 -0.583 -8.682) 8.701 10.458 ( 0.000 -2.416 4.429) 5.046 10.564 ( -0.000 -4.281 8.469) 9.490 10.676 ( 0.000 -0.256 6.602) 6.607 10.712 ( -0.000 -1.374 2.389) 2.756 10.939 ( 0.000 -5.272 -1.874) 5.595 10.977 ( 0.000 -6.093 -4.339) 7.480 11.216 ( -0.000 0.825 6.827) 6.877 11.354 ( -0.000 -1.575 1.849) 2.429 11.452 ( -0.000 0.414 -1.939) 1.983 11.486 ( -0.000 -0.875 9.807) 9.846 11.641 ( 0.000 -1.462 -7.590) 7.730 11.720 ( -0.000 -3.556 -2.460) 4.325 11.924 ( 0.000 2.764 5.171) 5.863 12.095 ( -0.000 -0.880 4.201) 4.292 12.126 ( 0.000 0.615 16.643) 16.654 12.182 ( 0.000 -1.292 12.459) 12.526 12.269 ( 0.000 0.147 3.653) 3.656 12.341 ( -0.000 -1.870 6.526) 6.789 12.419 ( 0.000 -1.022 -3.117) 3.281 12.504 ( 0.000 -2.154 -1.273) 2.502 12.525 ( -0.000 1.724 -3.191) 3.627 12.630 ( 0.000 -1.235 -4.241) 4.417 12.657 ( -0.000 0.928 -5.283) 5.364 12.721 ( 0.000 0.267 -0.866) 0.906 12.810 ( 0.000 0.396 0.176) 0.433 12.893 ( -0.000 -1.671 -3.036) 3.465 13.104 ( -0.000 0.293 4.623) 4.632 13.137 ( 0.000 -0.270 5.526) 5.533 13.300 ( 0.000 0.002 -3.449) 3.449 13.305 ( -0.000 3.722 -3.089) 4.837 13.370 ( 0.000 -2.482 -7.295) 7.705 13.398 ( 0.000 0.774 -2.557) 2.671 13.792 ( 0.000 -0.242 7.541) 7.545 13.823 ( -0.000 -1.208 6.400) 6.513 13.899 ( 0.000 1.755 6.499) 6.732 14.007 ( 0.000 -0.388 4.127) 4.146 14.119 ( 0.000 0.070 5.382) 5.382 14.172 ( 0.000 -0.511 4.983) 5.009 14.689 ( 0.000 1.782 -8.163) 8.355 14.781 ( -0.000 3.269 -3.135) 4.529 14.859 ( -0.000 -2.373 -14.236) 14.432 15.060 ( -0.000 -0.242 -10.643) 10.646 15.129 ( 0.000 -0.788 -0.870) 1.174 15.247 ( 0.000 -1.039 -7.703) 7.773 15.360 ( -0.000 0.683 0.021) 0.683 15.396 ( -0.000 -0.873 -1.885) 2.078 15.595 ( 0.000 2.534 17.233) 17.418 15.738 ( 0.000 -1.472 14.682) 14.756 16.030 ( 0.000 0.214 6.959) 6.962 16.060 ( 0.000 -0.669 4.713) 4.761 16.256 ( -0.000 1.964 -2.140) 2.905 16.259 ( 0.000 1.453 0.611) 1.576 16.813 ( 0.000 -0.147 -13.860) 13.861 16.832 ( -0.000 -0.198 -14.836) 14.837 17.171 ( 0.000 0.150 -12.043) 12.044 17.185 ( -0.000 -0.096 -14.199) 14.199 17.642 ( -0.000 2.452 1.321) 2.785 17.799 ( -0.000 -1.479 2.991) 3.337 17.862 ( -0.000 0.300 5.137) 5.145 17.906 ( 0.000 -1.008 4.188) 4.308 18.030 ( -0.000 -0.348 1.652) 1.688 18.046 ( 0.000 -0.150 3.343) 3.347 18.118 ( -0.000 0.184 -6.980) 6.983 18.183 ( -0.000 -2.114 -4.550) 5.017 18.480 ( 0.000 1.374 6.138) 6.290 18.502 ( -0.000 0.832 5.332) 5.397 18.633 ( -0.000 1.656 8.101) 8.268 18.634 ( 0.000 2.688 0.200) 2.695 18.734 ( 0.000 0.554 -5.787) 5.814 18.765 ( 0.000 -0.065 -0.486) 0.490 18.776 ( 0.000 -0.624 -0.058) 0.626 18.866 ( 0.000 -1.385 -2.669) 3.007 19.170 ( 0.000 1.279 0.265) 1.306 19.246 ( 0.000 -0.801 -0.782) 1.119 19.543 ( -0.000 -0.820 13.712) 13.736 19.576 ( 0.000 -1.288 13.214) 13.276 19.982 ( -0.000 0.532 5.887) 5.911 19.990 ( 0.000 0.475 5.852) 5.871 20.368 ( -0.000 2.266 -3.982) 4.581 20.416 ( -0.000 0.666 -0.567) 0.874 20.464 ( 0.000 1.424 -2.277) 2.686 20.496 ( 0.000 -0.060 5.829) 5.830 20.552 ( 0.000 -1.062 -3.455) 3.615 20.600 ( -0.000 -2.008 -8.001) 8.249 20.848 ( -0.000 -0.611 -3.295) 3.351 20.882 ( 0.000 -1.833 -2.692) 3.257 21.139 ( 0.000 -0.347 4.229) 4.243 21.141 ( -0.000 -0.425 4.051) 4.074 21.197 ( 0.000 1.333 -3.246) 3.509 21.285 ( 0.000 -0.680 -3.877) 3.936 21.385 ( 0.000 -1.617 -2.825) 3.255 21.394 ( -0.000 -1.446 -4.102) 4.350 22.157 ( 0.000 1.333 5.926) 6.074 22.230 ( 0.000 -0.609 5.803) 5.835 22.549 ( -0.000 1.197 2.986) 3.217 22.603 ( 0.000 -0.240 2.948) 2.958 22.922 ( 0.000 1.711 -6.417) 6.642 22.935 ( -0.000 1.342 -6.346) 6.486 23.209 ( 0.000 -1.158 -5.930) 6.042 23.211 ( -0.000 -1.142 -5.091) 5.217 23.407 ( 0.000 1.992 4.469) 4.893 23.409 ( -0.000 1.931 4.660) 5.045 23.623 ( -0.000 0.335 10.272) 10.277 23.643 ( 0.000 0.046 9.900) 9.900 23.950 ( 0.000 2.220 -1.891) 2.916 23.965 ( -0.000 1.785 -0.711) 1.922 24.183 ( 0.000 0.690 -7.935) 7.965 24.204 ( 0.000 -0.109 -5.554) 5.555 24.329 ( 0.000 0.429 -7.723) 7.735 24.344 ( 0.000 -0.137 -5.141) 5.143 24.766 ( 0.000 2.135 7.466) 7.765 24.800 ( -0.000 1.380 6.117) 6.271 25.201 ( 0.000 2.025 -0.404) 2.065 25.222 ( -0.000 1.850 -0.709) 1.981 25.382 ( -0.000 -0.880 -8.508) 8.553 25.414 ( 0.000 -1.662 -9.517) 9.661 25.812 ( 0.000 0.015 5.468) 5.468 25.842 ( 0.000 -0.795 3.901) 3.981 26.103 ( -0.000 -1.163 5.882) 5.995 26.207 ( 0.000 -3.723 10.211) 10.869 26.415 ( -0.000 -2.444 -2.653) 3.608 26.431 ( 0.000 -1.680 1.621) 2.334 26.697 ( 0.000 -4.174 2.308) 4.770 26.793 ( 0.000 -7.891 2.239) 8.202 26.877 ( -0.000 -1.277 -2.612) 2.908 26.924 ( 0.000 -2.921 -1.152) 3.140 27.247 ( -0.000 -1.610 -18.982) 19.050 27.249 ( 0.000 -1.884 -15.356) 15.471 28.041 ( -0.000 0.119 17.775) 17.775 28.158 ( 0.000 -3.472 19.288) 19.598 28.452 ( 0.000 -1.488 0.787) 1.684 28.464 ( 0.000 -1.417 -2.062) 2.501 28.537 ( -0.000 -2.925 -2.132) 3.620 28.570 ( 0.000 -3.355 -1.619) 3.725 29.249 ( -0.000 -0.380 2.012) 2.047 29.258 ( 0.000 -0.422 3.919) 3.942 29.424 ( -0.000 -2.251 -8.259) 8.560 29.453 ( 0.000 -3.038 -6.231) 6.932 29.715 ( 0.000 -2.073 -1.755) 2.716 29.742 ( -0.000 -2.707 -1.816) 3.260 30.272 ( 0.000 -0.777 -0.779) 1.100 30.294 ( -0.000 -1.475 -0.203) 1.489 30.743 ( 0.000 -1.273 0.425) 1.342 30.778 ( -0.000 0.262 3.943) 3.952 30.799 ( -0.000 -2.299 -1.608) 2.805 30.811 ( 0.000 0.803 0.154) 0.818 30.890 ( 0.000 -2.931 0.320) 2.948 30.930 ( 0.000 -3.097 -1.687) 3.527 31.051 ( 0.000 -4.883 3.012) 5.738 31.096 ( -0.000 -5.974 2.590) 6.511 31.468 ( -0.000 -0.341 -4.274) 4.288 31.548 ( 0.000 -2.097 -5.728) 6.100 31.666 ( -0.000 -1.466 4.874) 5.090 31.674 ( 0.000 -2.104 2.242) 3.075 31.852 ( 0.000 -4.395 -5.308) 6.892 31.958 ( 0.000 -6.957 -4.149) 8.100 32.157 ( -0.000 -1.858 2.939) 3.477 32.223 ( 0.000 -1.893 2.334) 3.005 32.623 ( -0.000 -3.734 -0.853) 3.830 32.686 ( 0.000 -3.620 -1.135) 3.794 33.142 ( 0.000 -1.630 4.830) 5.098 33.202 ( -0.000 -3.861 5.220) 6.493 33.752 ( 0.000 -0.454 -10.622) 10.631 33.831 ( 0.000 -3.439 -15.755) 16.126 34.498 ( 0.000 -3.295 24.211) 24.434 34.691 ( -0.000 -10.433 21.653) 24.036 35.894 ( 0.000 -10.713 -14.094) 17.704 35.974 ( -0.000 -14.060 -11.960) 18.459 ======================= Grid point 80 (34/54) ======================= q-point: ( 0.00 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 0.051 1.873) 1.873 2.312 ( 0.000 3.925 -0.142) 3.928 2.325 ( 0.000 8.422 3.658) 9.182 2.579 ( 0.000 -3.956 -8.547) 9.418 2.760 ( 0.000 5.170 -2.499) 5.742 2.840 ( 0.000 -1.290 -3.397) 3.634 2.840 ( 0.000 1.722 3.764) 4.139 2.888 ( 0.000 -0.235 0.177) 0.294 2.919 ( 0.000 -4.101 1.264) 4.291 3.017 ( 0.000 -0.498 -1.975) 2.036 3.160 ( 0.000 1.936 11.285) 11.450 3.212 ( 0.000 8.123 0.533) 8.140 3.261 ( 0.000 -0.369 -1.537) 1.581 3.289 ( 0.000 -1.408 4.875) 5.074 3.354 ( 0.000 -0.398 -2.258) 2.292 3.372 ( 0.000 3.082 -2.530) 3.987 3.427 ( 0.000 9.055 0.756) 9.087 3.470 ( 0.000 -0.365 0.661) 0.755 3.487 ( 0.000 2.901 -1.159) 3.124 3.514 ( 0.000 -2.420 2.321) 3.353 3.564 ( 0.000 -1.128 2.617) 2.850 3.724 ( 0.000 3.218 5.071) 6.006 3.788 ( 0.000 -2.247 2.383) 3.276 3.876 ( 0.000 -1.281 1.704) 2.132 3.930 ( 0.000 -5.969 0.415) 5.984 4.127 ( 0.000 3.436 2.290) 4.130 4.181 ( 0.000 3.655 -5.703) 6.774 4.214 ( 0.000 -0.093 3.600) 3.601 4.366 ( 0.000 3.657 -2.609) 4.492 4.411 ( 0.000 -0.255 -2.144) 2.159 4.587 ( 0.000 -1.826 3.331) 3.799 4.740 ( 0.000 -3.536 -2.225) 4.178 4.955 ( 0.000 -0.284 1.627) 1.651 5.024 ( 0.000 -1.095 -1.235) 1.650 5.659 ( 0.000 0.256 -2.171) 2.186 5.680 ( 0.000 -1.377 -2.491) 2.846 6.008 ( 0.000 0.243 9.477) 9.480 6.255 ( 0.000 -0.935 16.411) 16.438 6.265 ( 0.000 -1.531 8.653) 8.787 6.301 ( 0.000 -1.329 -0.014) 1.330 6.334 ( 0.000 -4.238 0.560) 4.275 6.527 ( 0.000 0.312 -3.097) 3.112 6.611 ( 0.000 -0.844 14.461) 14.485 6.659 ( 0.000 -0.791 3.284) 3.377 6.930 ( 0.000 -2.655 -12.302) 12.585 7.010 ( 0.000 -1.181 -0.658) 1.352 7.182 ( 0.000 -4.006 -17.622) 18.071 7.395 ( 0.000 -1.710 -7.632) 7.821 7.663 ( 0.000 1.073 9.125) 9.188 7.718 ( 0.000 0.135 7.697) 7.698 7.845 ( 0.000 -2.704 -5.016) 5.698 7.939 ( 0.000 -7.716 0.416) 7.728 8.103 ( 0.000 -1.996 -3.282) 3.841 8.136 ( 0.000 -0.004 -9.991) 9.991 8.242 ( 0.000 1.955 9.348) 9.550 8.421 ( 0.000 -2.091 2.419) 3.198 8.628 ( 0.000 -0.214 -11.878) 11.880 8.740 ( 0.000 1.062 -3.205) 3.376 8.797 ( 0.000 -0.098 -16.461) 16.462 8.830 ( 0.000 1.461 10.125) 10.230 8.927 ( 0.000 -0.201 -9.705) 9.707 9.233 ( 0.000 0.825 -2.957) 3.070 9.265 ( 0.000 -0.616 -2.171) 2.257 9.548 ( 0.000 0.201 -0.625) 0.656 9.608 ( 0.000 0.035 -23.192) 23.192 9.756 ( 0.000 0.495 -15.352) 15.360 9.767 ( 0.000 -0.209 0.923) 0.946 9.772 ( 0.000 -0.881 0.400) 0.968 10.153 ( 0.000 1.358 0.935) 1.649 10.267 ( 0.000 -0.171 -4.684) 4.687 10.298 ( 0.000 -1.748 8.650) 8.825 10.380 ( 0.000 -0.145 6.700) 6.702 10.463 ( 0.000 -0.707 19.335) 19.348 10.595 ( 0.000 -1.446 -5.774) 5.953 10.685 ( 0.000 2.344 -3.274) 4.026 10.752 ( 0.000 -3.839 5.426) 6.647 10.779 ( 0.000 -2.288 -0.134) 2.292 11.024 ( 0.000 -1.383 3.280) 3.559 11.034 ( 0.000 -1.504 -5.859) 6.049 11.136 ( 0.000 -0.670 -4.697) 4.745 11.307 ( 0.000 -0.146 1.451) 1.458 11.443 ( 0.000 0.323 -4.051) 4.064 11.558 ( 0.000 0.387 4.765) 4.781 11.795 ( 0.000 -1.001 19.004) 19.030 11.854 ( 0.000 -0.397 20.905) 20.909 12.087 ( 0.000 0.979 -0.360) 1.043 12.146 ( 0.000 -0.005 18.990) 18.990 12.159 ( 0.000 1.488 -0.207) 1.503 12.209 ( 0.000 0.317 3.854) 3.867 12.271 ( 0.000 -4.082 -13.105) 13.726 12.281 ( 0.000 -0.151 -7.354) 7.356 12.393 ( 0.000 -0.194 1.389) 1.402 12.429 ( 0.000 0.433 -1.617) 1.674 12.587 ( 0.000 1.832 6.684) 6.931 12.792 ( 0.000 -0.131 4.185) 4.187 12.832 ( 0.000 -1.497 -12.629) 12.718 12.877 ( 0.000 1.576 -9.507) 9.637 12.918 ( 0.000 -1.292 6.048) 6.185 12.988 ( 0.000 1.088 5.982) 6.080 13.054 ( 0.000 0.647 6.445) 6.477 13.162 ( 0.000 -1.876 -5.816) 6.111 13.212 ( 0.000 -1.617 -3.295) 3.671 13.245 ( 0.000 0.104 7.776) 7.777 13.281 ( 0.000 -1.179 -5.159) 5.292 13.669 ( 0.000 -0.139 -12.075) 12.075 13.732 ( 0.000 0.928 -7.561) 7.618 13.749 ( 0.000 0.266 3.256) 3.266 13.990 ( 0.000 0.289 19.754) 19.756 14.155 ( 0.000 3.037 8.115) 8.665 14.216 ( 0.000 -1.661 -4.063) 4.390 14.466 ( 0.000 0.299 13.984) 13.988 14.593 ( 0.000 0.052 -8.040) 8.040 14.890 ( 0.000 -0.118 11.487) 11.488 15.135 ( 0.000 4.978 -11.760) 12.770 15.230 ( 0.000 0.239 -19.552) 19.553 15.267 ( 0.000 -4.958 -3.509) 6.074 15.297 ( 0.000 -0.946 -5.703) 5.781 15.673 ( 0.000 1.171 -16.299) 16.341 15.776 ( 0.000 -0.424 7.010) 7.023 15.978 ( 0.000 -0.178 6.284) 6.286 15.997 ( 0.000 -0.355 0.671) 0.759 16.186 ( 0.000 1.458 6.409) 6.572 16.370 ( 0.000 0.573 -12.786) 12.799 16.551 ( 0.000 -0.028 -5.452) 5.452 16.849 ( 0.000 0.262 12.127) 12.130 17.171 ( 0.000 -0.188 -11.180) 11.181 17.246 ( 0.000 0.477 -5.269) 5.291 17.279 ( 0.000 0.025 19.032) 19.032 17.345 ( 0.000 -0.922 -12.832) 12.865 17.530 ( 0.000 0.165 10.072) 10.074 17.914 ( 0.000 3.328 1.056) 3.492 18.018 ( 0.000 0.384 0.302) 0.489 18.020 ( 0.000 0.756 18.909) 18.924 18.060 ( 0.000 -3.115 6.030) 6.787 18.150 ( 0.000 -0.077 2.335) 2.336 18.193 ( 0.000 0.096 -1.492) 1.495 18.230 ( 0.000 -0.701 -16.196) 16.211 18.392 ( 0.000 -0.207 -2.223) 2.233 18.611 ( 0.000 0.136 -2.959) 2.963 18.675 ( 0.000 -0.002 -11.063) 11.063 18.744 ( 0.000 0.766 -3.571) 3.652 18.765 ( 0.000 0.094 -2.893) 2.895 18.879 ( 0.000 0.131 0.861) 0.871 18.928 ( 0.000 -0.023 4.277) 4.277 19.116 ( 0.000 0.166 -4.176) 4.179 19.153 ( 0.000 0.017 -7.433) 7.433 19.476 ( 0.000 0.161 11.073) 11.075 19.529 ( 0.000 -0.191 9.048) 9.050 19.631 ( 0.000 0.111 8.880) 8.880 19.816 ( 0.000 0.279 -0.846) 0.891 20.030 ( 0.000 -0.061 12.528) 12.528 20.184 ( 0.000 -0.032 11.649) 11.649 20.567 ( 0.000 -0.095 8.549) 8.550 20.690 ( 0.000 -0.333 -7.152) 7.160 20.828 ( 0.000 -0.337 -7.115) 7.123 20.845 ( 0.000 0.354 -6.146) 6.156 20.923 ( 0.000 -0.047 -1.398) 1.399 21.020 ( 0.000 0.247 3.110) 3.120 21.081 ( 0.000 -0.007 -12.336) 12.336 21.088 ( 0.000 -0.307 1.323) 1.358 21.177 ( 0.000 -0.998 -6.442) 6.519 21.319 ( 0.000 0.228 10.597) 10.599 21.487 ( 0.000 -0.189 2.728) 2.735 21.550 ( 0.000 -0.105 -8.935) 8.935 21.894 ( 0.000 -0.148 -3.858) 3.861 22.227 ( 0.000 -0.607 -9.154) 9.174 22.731 ( 0.000 0.048 4.619) 4.620 22.758 ( 0.000 0.806 14.299) 14.322 22.815 ( 0.000 0.609 0.355) 0.704 22.927 ( 0.000 0.809 3.596) 3.686 23.100 ( 0.000 -0.420 -1.384) 1.447 23.161 ( 0.000 0.311 1.099) 1.142 23.348 ( 0.000 0.341 3.853) 3.868 23.459 ( 0.000 0.334 16.188) 16.191 23.505 ( 0.000 0.444 -14.380) 14.386 23.959 ( 0.000 0.818 3.096) 3.203 23.960 ( 0.000 0.351 -4.344) 4.358 24.028 ( 0.000 0.145 -9.130) 9.131 24.212 ( 0.000 1.292 -6.993) 7.111 24.404 ( 0.000 0.186 7.562) 7.565 24.559 ( 0.000 1.336 4.446) 4.643 24.596 ( 0.000 -0.609 -21.319) 21.327 24.659 ( 0.000 0.179 -5.905) 5.908 24.666 ( 0.000 -0.397 6.244) 6.257 24.982 ( 0.000 -0.030 2.024) 2.024 25.003 ( 0.000 0.002 0.005) 0.005 25.196 ( 0.000 -0.237 4.797) 4.803 25.331 ( 0.000 0.175 16.237) 16.238 25.379 ( 0.000 -0.279 11.811) 11.815 25.742 ( 0.000 0.389 -11.499) 11.506 25.892 ( 0.000 0.288 -11.107) 11.111 25.985 ( 0.000 0.381 0.071) 0.388 26.050 ( 0.000 -0.596 -5.896) 5.926 26.174 ( 0.000 -0.105 -20.280) 20.280 26.721 ( 0.000 -0.137 18.879) 18.879 26.809 ( 0.000 -0.039 5.122) 5.122 26.894 ( 0.000 0.016 -0.483) 0.483 27.462 ( 0.000 -0.959 -16.716) 16.743 27.813 ( 0.000 -0.388 9.517) 9.525 28.088 ( 0.000 -0.835 12.925) 12.952 28.126 ( 0.000 -2.637 -2.910) 3.927 28.155 ( 0.000 -1.371 5.692) 5.854 28.262 ( 0.000 -1.535 -0.105) 1.538 28.324 ( 0.000 -0.448 -2.869) 2.903 28.761 ( 0.000 -2.640 1.336) 2.959 28.792 ( 0.000 -0.091 1.038) 1.042 28.846 ( 0.000 -1.632 -1.036) 1.933 28.885 ( 0.000 -0.370 -2.510) 2.537 29.276 ( 0.000 -0.161 10.688) 10.689 29.491 ( 0.000 -0.153 -2.385) 2.389 29.791 ( 0.000 -0.078 -12.381) 12.381 29.812 ( 0.000 -1.214 6.339) 6.454 29.945 ( 0.000 -0.174 -19.213) 19.214 30.163 ( 0.000 -1.269 -3.896) 4.097 30.623 ( 0.000 -0.536 10.805) 10.818 30.728 ( 0.000 -1.446 2.110) 2.557 30.750 ( 0.000 -0.567 1.927) 2.008 30.822 ( 0.000 -1.844 -1.938) 2.676 30.836 ( 0.000 -0.131 0.049) 0.140 30.949 ( 0.000 -0.327 -6.370) 6.379 31.004 ( 0.000 -0.235 10.285) 10.288 31.187 ( 0.000 -0.784 5.634) 5.689 31.424 ( 0.000 -0.410 -5.962) 5.976 31.426 ( 0.000 -0.883 4.154) 4.247 31.470 ( 0.000 -1.752 0.960) 1.998 31.768 ( 0.000 0.201 -5.586) 5.590 31.796 ( 0.000 -2.349 -5.830) 6.285 31.946 ( 0.000 -0.726 -14.699) 14.717 32.110 ( 0.000 -0.885 6.792) 6.850 32.276 ( 0.000 -0.970 -2.636) 2.809 32.726 ( 0.000 -1.610 12.911) 13.011 32.746 ( 0.000 -1.362 18.359) 18.410 33.218 ( 0.000 -1.154 -3.943) 4.108 33.370 ( 0.000 -2.462 -9.398) 9.715 33.566 ( 0.000 -0.571 -10.272) 10.288 33.600 ( 0.000 -1.568 -7.503) 7.665 34.094 ( 0.000 -0.754 10.925) 10.951 34.379 ( 0.000 -2.848 2.171) 3.581 35.384 ( 0.000 -2.984 19.920) 20.142 36.391 ( 0.000 -9.716 -18.573) 20.961 ======================= Grid point 81 (35/54) ======================= q-point: ( 0.25 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 3.379 2.711 0.438) 4.354 2.322 ( 0.864 3.549 -1.107) 3.817 2.375 ( 3.739 4.343 1.394) 5.898 2.551 ( -1.612 -4.999 -7.464) 9.127 2.729 ( -1.737 5.554 -0.303) 5.827 2.825 ( -0.687 0.141 -0.709) 0.997 2.847 ( -1.160 1.333 3.210) 3.664 2.940 ( 1.785 -2.334 0.791) 3.043 2.952 ( 3.090 -0.819 -0.692) 3.270 2.996 ( -1.571 -0.443 -1.657) 2.326 3.155 ( 0.107 2.783 9.471) 9.873 3.230 ( 0.882 1.462 1.889) 2.546 3.277 ( -0.520 2.295 0.292) 2.371 3.298 ( 1.487 1.757 3.149) 3.901 3.338 ( -0.483 0.258 0.489) 0.734 3.359 ( -1.342 5.141 -0.520) 5.339 3.484 ( 4.121 2.667 0.129) 4.911 3.499 ( 3.594 1.517 -1.407) 4.147 3.505 ( 2.671 2.344 0.710) 3.624 3.569 ( 0.631 0.096 1.211) 1.369 3.598 ( 6.730 1.419 -1.993) 7.161 3.725 ( 0.312 -0.539 2.406) 2.485 3.792 ( 1.459 -0.134 0.791) 1.665 3.842 ( -0.377 -4.106 2.978) 5.086 4.001 ( 5.820 -3.627 0.949) 6.923 4.045 ( -9.339 1.534 -4.102) 10.315 4.219 ( 5.571 3.796 2.076) 7.054 4.251 ( 0.182 1.182 5.469) 5.598 4.373 ( -0.499 3.195 -2.582) 4.138 4.419 ( -10.508 -3.205 2.194) 11.203 4.454 ( 0.319 1.430 -1.007) 1.778 4.643 ( -6.652 -0.995 -3.607) 7.632 5.058 ( 8.465 -1.951 0.508) 8.702 5.089 ( 5.839 -1.979 -0.829) 6.221 5.542 ( -9.962 -0.003 -0.232) 9.965 5.571 ( -9.821 -1.567 -0.644) 9.966 6.190 ( 1.949 -0.812 -0.184) 2.119 6.197 ( -1.688 -1.649 -1.880) 3.017 6.233 ( 7.113 -0.864 4.972) 8.721 6.387 ( 9.004 -0.417 19.159) 21.173 6.471 ( 10.336 -2.334 9.739) 14.391 6.568 ( 9.696 -1.260 12.647) 15.986 6.634 ( -4.386 -2.327 -11.777) 12.781 6.857 ( 9.644 0.295 3.752) 10.352 6.928 ( 7.570 -1.236 -0.027) 7.670 6.954 ( -1.708 -4.007 -6.798) 8.074 7.343 ( -1.588 0.961 -1.578) 2.436 7.376 ( 0.456 -1.864 -5.851) 6.158 7.393 ( 1.766 -2.068 -5.518) 6.152 7.754 ( -5.436 -4.378 -6.391) 9.464 7.882 ( 1.119 -1.775 -1.778) 2.750 7.968 ( 6.047 -0.088 6.949) 9.212 7.990 ( -10.440 -1.404 8.875) 13.774 8.061 ( -11.624 -0.926 0.028) 11.660 8.321 ( -4.635 -2.018 1.420) 5.251 8.349 ( 3.312 -0.537 -6.229) 7.075 8.602 ( -4.239 0.974 -2.544) 5.038 8.637 ( -3.179 -1.614 -6.179) 7.134 8.766 ( -0.153 1.335 -10.028) 10.117 8.991 ( -1.860 -0.987 -1.592) 2.640 9.010 ( -0.160 0.720 -8.288) 8.321 9.129 ( 13.362 0.827 -4.702) 14.189 9.250 ( -21.065 -0.057 -1.747) 21.138 9.291 ( -18.569 -0.278 -6.128) 19.556 9.591 ( -1.517 0.186 -3.622) 3.931 9.754 ( -1.363 -0.687 -2.842) 3.226 9.807 ( 1.681 0.518 -0.149) 1.765 9.839 ( 10.329 -1.163 -6.184) 12.094 10.034 ( -8.170 1.976 1.692) 8.574 10.065 ( 4.043 -0.707 1.828) 4.493 10.211 ( -8.434 -1.193 -0.028) 8.518 10.309 ( -5.678 -0.467 -8.626) 10.338 10.355 ( -1.892 -0.363 1.478) 2.428 10.546 ( -8.007 -0.263 -4.840) 9.360 10.631 ( -0.204 -0.865 10.460) 10.497 10.804 ( 0.623 -0.870 -3.314) 3.482 10.836 ( -3.712 -2.290 -3.670) 5.700 10.954 ( -5.607 -1.800 6.303) 8.626 11.239 ( 10.865 1.358 0.483) 10.960 11.279 ( 12.656 -2.374 1.536) 12.968 11.369 ( -3.916 -0.158 3.505) 5.258 11.437 ( 5.843 -0.813 -1.230) 6.026 11.477 ( -1.140 -0.054 3.954) 4.116 11.853 ( -4.813 -0.244 8.571) 9.833 11.895 ( 5.777 -0.031 10.739) 12.194 12.070 ( -1.093 1.454 -1.977) 2.687 12.139 ( -0.227 -0.464 15.168) 15.177 12.193 ( 0.921 1.092 8.568) 8.686 12.227 ( 2.655 -0.844 1.057) 2.980 12.258 ( 5.217 -2.330 2.375) 6.188 12.366 ( 0.957 -0.205 -5.145) 5.237 12.379 ( 3.000 -1.060 -5.161) 6.062 12.565 ( 3.837 1.325 2.831) 4.949 12.692 ( 3.039 1.871 -4.672) 5.879 12.723 ( -6.842 -0.809 -3.920) 7.927 12.744 ( 1.692 1.553 -3.121) 3.875 12.798 ( -0.801 -2.168 -1.953) 3.026 12.947 ( -8.096 2.052 2.244) 8.648 12.989 ( 1.655 -1.713 2.471) 3.432 13.017 ( 3.642 -1.505 8.308) 9.195 13.188 ( 8.764 -0.195 0.380) 8.774 13.249 ( -0.016 0.005 -5.844) 5.844 13.339 ( 2.838 -0.062 -4.374) 5.215 13.479 ( 19.192 -0.995 7.711) 20.707 13.557 ( -1.318 0.050 -8.509) 8.611 13.738 ( 4.074 0.260 1.863) 4.487 13.968 ( -1.363 0.101 11.881) 11.959 14.030 ( 5.701 0.976 14.920) 16.002 14.197 ( -1.597 0.772 -6.423) 6.663 14.265 ( -13.231 -0.123 3.394) 13.660 14.378 ( 20.978 0.162 -7.533) 22.290 14.698 ( 5.373 -0.160 -1.326) 5.536 14.984 ( 5.794 0.049 5.959) 8.312 15.073 ( -3.533 2.793 -7.467) 8.720 15.105 ( -4.018 -0.099 -12.756) 13.374 15.215 ( -5.177 -2.093 -4.058) 6.903 15.252 ( -1.391 -1.458 1.533) 2.532 15.536 ( -12.436 0.694 -13.648) 18.477 15.828 ( 1.235 0.383 3.733) 3.951 15.891 ( -8.809 0.314 2.930) 9.289 16.079 ( 0.011 0.894 5.445) 5.518 16.094 ( 1.004 -0.590 4.841) 4.979 16.261 ( -20.077 -0.236 9.331) 22.141 16.504 ( -3.834 0.450 -6.315) 7.402 16.808 ( -7.021 0.203 -0.548) 7.046 16.828 ( -2.356 0.069 -9.869) 10.146 17.158 ( -1.445 0.257 -9.564) 9.676 17.273 ( -5.617 -0.689 -10.814) 12.205 17.596 ( 8.078 0.772 4.976) 9.519 17.661 ( 8.859 -0.426 1.061) 8.932 17.894 ( -3.699 0.786 5.197) 6.427 17.978 ( 0.220 0.179 3.776) 3.787 18.078 ( 3.622 -0.162 -7.576) 8.399 18.090 ( -9.691 -0.291 -3.351) 10.258 18.100 ( 1.266 0.117 9.718) 9.801 18.151 ( -1.751 -0.902 -4.411) 4.831 18.323 ( 12.327 0.108 5.907) 13.670 18.384 ( 2.726 0.067 4.899) 5.606 18.676 ( 4.117 0.678 -5.341) 6.778 18.704 ( -1.108 0.972 -1.269) 1.945 18.714 ( 1.024 -0.090 -4.050) 4.178 18.774 ( 0.304 -0.085 -3.338) 3.353 18.854 ( -4.822 0.060 -1.013) 4.927 18.880 ( -3.759 -0.304 1.869) 4.209 19.122 ( 2.665 0.205 1.545) 3.087 19.209 ( 3.680 -0.061 -5.348) 6.492 19.497 ( 1.806 -0.147 12.359) 12.491 19.556 ( 1.392 -0.324 12.632) 12.713 19.769 ( 12.306 0.252 6.666) 13.998 19.951 ( 10.098 0.193 5.455) 11.479 20.161 ( 11.750 0.250 2.800) 12.082 20.267 ( 7.333 0.024 2.442) 7.729 20.528 ( -6.137 1.049 0.105) 6.227 20.552 ( -5.358 -1.343 1.368) 5.691 20.756 ( -11.390 0.932 -1.896) 11.584 20.804 ( -4.053 -0.785 -4.906) 6.412 20.867 ( -4.836 -0.382 1.859) 5.196 20.983 ( -10.346 0.064 -2.531) 10.651 21.029 ( 8.437 0.130 -0.874) 8.483 21.122 ( -7.265 -0.606 -9.332) 11.842 21.181 ( 3.765 -0.019 2.025) 4.275 21.268 ( -3.332 -0.287 -3.083) 4.548 21.361 ( 0.877 -0.653 -0.974) 1.464 21.510 ( -5.331 0.007 -4.647) 7.072 22.179 ( 13.304 -0.062 -2.381) 13.515 22.302 ( 2.027 0.102 -3.865) 4.366 22.496 ( -8.003 0.841 9.191) 12.216 22.531 ( -8.470 -0.295 10.310) 13.346 22.929 ( 1.409 0.704 -3.324) 3.678 23.069 ( 9.792 0.045 0.426) 9.802 23.094 ( -2.418 0.311 -5.685) 6.186 23.259 ( 0.833 -0.034 -6.078) 6.135 23.356 ( 0.567 0.817 4.816) 4.918 23.457 ( 2.847 0.470 10.165) 10.567 23.466 ( 0.578 0.011 3.503) 3.551 23.849 ( -9.033 0.384 3.136) 9.570 23.961 ( -0.344 0.811 1.928) 2.120 24.038 ( -0.300 0.118 -8.800) 8.806 24.177 ( -1.954 1.345 -4.248) 4.865 24.342 ( -4.659 0.134 2.447) 5.264 24.401 ( -13.457 -0.281 -12.743) 18.535 24.474 ( -8.948 0.022 -9.362) 12.950 24.632 ( 8.642 0.602 6.121) 10.607 24.838 ( 7.124 0.518 2.067) 7.436 25.061 ( 4.191 0.714 9.645) 10.540 25.187 ( 4.814 -0.186 -0.425) 4.836 25.281 ( 19.158 -0.704 -0.408) 19.176 25.536 ( -13.020 1.230 -7.547) 15.099 25.583 ( 20.288 -1.013 8.283) 21.938 25.734 ( 25.405 -0.940 4.350) 25.792 25.841 ( -2.456 0.076 -2.694) 3.646 25.970 ( 3.504 0.522 -10.349) 10.939 26.014 ( 3.904 -0.822 1.073) 4.132 26.502 ( 9.238 -0.185 -9.042) 12.928 26.642 ( -1.990 -0.106 11.989) 12.153 26.878 ( 7.379 -0.060 -0.436) 7.392 26.884 ( 0.607 -0.192 -0.723) 0.964 27.343 ( -19.344 -1.581 -15.006) 24.533 27.408 ( -36.596 -1.541 3.580) 36.803 27.599 ( -32.078 -2.474 -5.345) 32.614 27.951 ( 3.024 0.027 12.634) 12.991 28.125 ( 1.456 -1.519 16.040) 16.177 28.362 ( 5.291 0.021 -4.636) 7.035 28.532 ( -1.318 -1.512 -5.932) 6.262 28.596 ( -14.145 -0.884 3.479) 14.593 28.691 ( -8.198 -0.514 0.253) 8.218 28.941 ( 15.072 -0.730 8.857) 17.497 29.132 ( 14.918 -0.978 -3.310) 15.312 29.374 ( 6.030 -0.385 -0.788) 6.094 29.471 ( -3.751 -0.373 -1.652) 4.115 29.732 ( -4.302 -0.663 -1.819) 4.717 29.798 ( -3.436 -1.005 -7.399) 8.220 30.136 ( 3.617 -0.428 -3.353) 4.951 30.152 ( 13.598 -0.711 -7.942) 15.764 30.637 ( 0.766 -0.578 9.231) 9.281 30.767 ( 3.015 0.335 -0.307) 3.049 30.770 ( 1.575 -0.015 2.242) 2.740 30.808 ( 2.752 -2.495 0.117) 3.716 30.834 ( -1.360 -1.315 -0.575) 1.977 30.903 ( -2.240 -0.136 2.974) 3.726 31.080 ( -8.636 -1.098 2.204) 8.980 31.183 ( 7.471 -0.347 3.591) 8.297 31.282 ( -7.438 -1.462 -6.632) 10.072 31.495 ( 5.709 -0.427 -5.003) 7.603 31.538 ( 6.889 -1.033 6.941) 9.834 31.733 ( -4.834 -0.474 -3.148) 5.788 31.823 ( 0.972 -1.739 -5.361) 5.719 31.918 ( -3.754 -1.397 -8.513) 9.408 32.116 ( 0.934 -0.910 6.164) 6.301 32.249 ( -3.351 -0.547 -0.181) 3.400 32.521 ( -4.719 -1.720 8.890) 10.211 32.936 ( -12.524 0.193 -2.157) 12.710 32.980 ( 0.583 -3.212 4.832) 5.832 33.224 ( -3.549 -1.017 1.178) 3.876 33.667 ( 5.449 -0.449 -7.992) 9.683 33.764 ( 4.830 -1.803 -14.961) 15.824 34.217 ( 11.928 -1.277 15.149) 19.323 34.518 ( 8.773 -4.134 10.198) 14.073 35.411 ( 6.315 -2.928 9.294) 11.612 36.200 ( -18.399 -8.439 -16.717) 26.253 ======================= Grid point 82 (36/54) ======================= q-point: (-0.50 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 0.000 5.273 -1.973) 5.630 2.321 ( -0.000 1.050 -1.097) 1.518 2.424 ( 0.000 1.827 -2.636) 3.208 2.537 ( 0.000 -5.639 -6.553) 8.646 2.730 ( 0.000 8.480 4.334) 9.523 2.764 ( -0.000 6.609 2.433) 7.042 2.871 ( 0.000 -1.970 -1.170) 2.292 2.912 ( -0.000 -6.744 1.161) 6.843 2.978 ( -0.000 1.286 1.306) 1.833 3.006 ( 0.000 -1.221 -1.620) 2.028 3.160 ( 0.000 3.467 7.900) 8.627 3.233 ( 0.000 -2.621 4.114) 4.878 3.275 ( -0.000 1.350 3.907) 4.134 3.284 ( 0.000 0.915 -0.905) 1.287 3.341 ( -0.000 4.571 -0.221) 4.577 3.349 ( 0.000 3.117 1.602) 3.504 3.534 ( 0.000 3.349 0.332) 3.366 3.555 ( 0.000 4.674 1.515) 4.913 3.573 ( 0.000 3.374 -0.058) 3.374 3.580 ( -0.000 -0.510 0.232) 0.560 3.681 ( 0.000 1.748 -5.326) 5.606 3.745 ( -0.000 -3.479 -4.951) 6.051 3.813 ( -0.000 0.925 -0.417) 1.014 3.832 ( 0.000 -0.725 -1.346) 1.529 4.001 ( -0.000 0.184 3.536) 3.541 4.060 ( 0.000 -4.723 3.739) 6.024 4.180 ( -0.000 -0.433 5.807) 5.823 4.213 ( 0.000 -2.973 6.996) 7.601 4.323 ( -0.000 5.623 -0.492) 5.645 4.351 ( 0.000 2.406 -0.533) 2.464 4.508 ( -0.000 1.943 -5.250) 5.598 4.555 ( 0.000 -1.323 -3.717) 3.945 5.200 ( 0.000 -1.277 -3.335) 3.571 5.211 ( 0.000 -2.712 -3.591) 4.500 5.380 ( 0.000 -0.542 4.234) 4.269 5.392 ( -0.000 -1.964 4.083) 4.531 6.180 ( 0.000 -1.307 -5.070) 5.236 6.182 ( -0.000 -1.622 -5.600) 5.830 6.386 ( -0.000 -0.411 5.164) 5.180 6.411 ( 0.000 -2.924 6.096) 6.760 6.524 ( -0.000 0.750 11.909) 11.932 6.564 ( 0.000 -3.359 11.116) 11.612 6.898 ( -0.000 1.909 -4.998) 5.351 6.959 ( -0.000 -3.671 -3.796) 5.281 7.004 ( 0.000 -1.233 -3.186) 3.416 7.026 ( -0.000 -2.797 -3.012) 4.110 7.339 ( 0.000 0.729 6.058) 6.102 7.380 ( -0.000 -2.785 4.356) 5.171 7.575 ( 0.000 -0.754 1.613) 1.781 7.585 ( -0.000 -1.721 -0.323) 1.751 7.756 ( -0.000 1.004 -0.635) 1.188 7.816 ( 0.000 -3.716 -0.049) 3.716 7.979 ( 0.000 -0.800 -0.219) 0.830 8.008 ( 0.000 -2.943 -0.437) 2.975 8.273 ( -0.000 0.804 0.249) 0.841 8.318 ( -0.000 -3.502 3.793) 5.162 8.571 ( 0.000 1.351 2.546) 2.882 8.605 ( -0.000 -2.013 5.871) 6.207 8.802 ( 0.000 0.879 -5.133) 5.208 8.809 ( -0.000 0.186 -6.707) 6.709 8.965 ( -0.000 0.217 -6.331) 6.335 8.972 ( 0.000 -0.267 -5.016) 5.023 9.226 ( -0.000 1.189 -15.596) 15.642 9.268 ( 0.000 -2.783 -16.361) 16.596 9.677 ( 0.000 3.384 -0.758) 3.468 9.727 ( -0.000 -1.301 -3.027) 3.295 9.903 ( 0.000 2.093 1.815) 2.771 9.938 ( 0.000 0.246 3.310) 3.320 9.940 ( -0.000 -0.074 -7.155) 7.156 9.979 ( -0.000 -2.528 -4.408) 5.081 10.156 ( 0.001 -0.103 -10.893) 10.894 10.158 ( -0.001 -0.352 -9.785) 9.792 10.441 ( 0.000 0.722 5.504) 5.551 10.483 ( -0.000 -3.357 6.762) 7.550 10.683 ( 0.000 0.745 7.133) 7.172 10.696 ( -0.000 -0.502 4.632) 4.659 10.860 ( 0.000 -2.000 -0.755) 2.137 10.875 ( -0.000 -3.447 -2.760) 4.415 11.252 ( -0.000 2.601 7.174) 7.631 11.309 ( -0.000 -2.780 5.983) 6.597 11.465 ( -0.000 0.640 -1.663) 1.782 11.474 ( -0.000 -0.373 2.348) 2.378 11.629 ( 0.000 0.371 -6.295) 6.306 11.658 ( -0.000 -2.455 -4.014) 4.705 11.994 ( 0.000 3.853 4.245) 5.733 12.063 ( -0.000 -2.639 2.945) 3.955 12.141 ( -0.000 0.887 17.115) 17.138 12.160 ( 0.000 -0.940 14.976) 15.005 12.271 ( 0.000 0.622 5.391) 5.427 12.300 ( -0.000 -2.006 5.651) 5.997 12.417 ( 0.000 0.860 -3.373) 3.481 12.452 ( -0.000 -2.489 -2.475) 3.510 12.566 ( -0.000 2.106 -4.417) 4.893 12.603 ( 0.000 -1.574 -4.286) 4.566 12.685 ( 0.000 1.758 -5.327) 5.610 12.716 ( -0.000 -1.000 -2.953) 3.117 12.824 ( 0.000 0.999 0.910) 1.351 12.852 ( -0.000 -1.881 -0.831) 2.056 13.116 ( 0.000 0.778 5.049) 5.109 13.130 ( -0.000 -0.540 5.634) 5.659 13.301 ( 0.000 0.433 -4.683) 4.703 13.322 ( 0.000 -1.803 -6.341) 6.592 13.373 ( -0.000 2.528 -2.533) 3.579 13.404 ( 0.000 -0.566 -2.226) 2.297 13.791 ( 0.000 0.205 9.213) 9.215 13.801 ( -0.000 -0.837 8.541) 8.582 13.937 ( -0.000 2.045 5.575) 5.938 13.979 ( 0.000 -1.989 5.665) 6.004 14.139 ( -0.000 1.332 2.333) 2.686 14.161 ( 0.000 -0.785 2.772) 2.881 14.727 ( 0.000 2.045 -9.473) 9.692 14.773 ( -0.000 -2.414 -9.065) 9.381 14.898 ( -0.000 4.505 -9.031) 10.093 14.992 ( -0.000 -4.662 -8.866) 10.017 15.168 ( -0.000 2.750 -4.659) 5.411 15.217 ( 0.000 -2.031 -6.745) 7.044 15.368 ( -0.000 0.369 -0.226) 0.433 15.379 ( 0.000 -0.742 -0.542) 0.919 15.650 ( 0.000 2.748 18.550) 18.752 15.700 ( 0.000 -2.242 17.364) 17.508 16.035 ( 0.000 0.341 6.113) 6.122 16.045 ( -0.000 -0.702 5.414) 5.460 16.281 ( -0.001 0.606 0.144) 0.623 16.281 ( 0.001 0.581 -0.685) 0.898 16.815 ( 0.000 0.351 -14.002) 14.006 16.824 ( -0.000 -0.524 -14.339) 14.348 17.175 ( 0.000 0.276 -12.762) 12.765 17.181 ( -0.000 -0.265 -13.474) 13.476 17.698 ( 0.000 2.997 -1.291) 3.263 17.757 ( -0.000 -2.662 -0.437) 2.698 17.870 ( -0.000 0.491 4.509) 4.535 17.884 ( 0.000 -0.969 3.618) 3.746 18.032 ( -0.000 0.380 3.059) 3.082 18.041 ( 0.000 -0.392 3.312) 3.335 18.127 ( -0.000 0.708 -7.012) 7.048 18.147 ( -0.000 -1.375 -6.099) 6.252 18.504 ( 0.000 0.877 7.539) 7.589 18.512 ( -0.000 0.087 7.369) 7.369 18.656 ( -0.000 0.733 7.087) 7.125 18.663 ( 0.000 0.251 4.477) 4.484 18.749 ( 0.000 0.863 -4.790) 4.867 18.765 ( -0.000 -0.642 -3.391) 3.451 18.785 ( 0.000 1.985 -2.595) 3.267 18.830 ( 0.000 -2.142 -3.620) 4.206 19.198 ( 0.000 1.419 1.049) 1.764 19.225 ( 0.000 -1.238 0.656) 1.401 19.537 ( -0.000 0.245 14.010) 14.012 19.551 ( 0.000 -1.054 13.829) 13.870 19.992 ( -0.000 0.344 6.143) 6.153 19.995 ( 0.000 0.017 6.128) 6.128 20.404 ( -0.000 1.300 -2.990) 3.261 20.420 ( -0.000 -0.279 -1.433) 1.460 20.495 ( 0.000 1.148 0.884) 1.449 20.499 ( -0.000 0.286 4.788) 4.796 20.537 ( 0.000 -0.110 -5.865) 5.866 20.559 ( -0.000 -1.941 -8.139) 8.367 20.844 ( -0.000 0.162 -3.527) 3.531 20.855 ( 0.000 -0.915 -3.349) 3.472 21.135 ( 0.004 -0.101 4.284) 4.285 21.135 ( -0.004 -0.128 4.430) 4.432 21.228 ( -0.000 1.648 -4.741) 5.019 21.261 ( 0.000 -1.558 -4.977) 5.215 21.368 ( 0.000 -0.209 -2.524) 2.533 21.373 ( -0.000 -0.628 -3.200) 3.261 22.186 ( 0.000 1.455 4.540) 4.767 22.212 ( -0.000 -1.137 4.389) 4.533 22.575 ( -0.000 1.233 3.766) 3.963 22.594 ( 0.000 -0.657 3.640) 3.699 22.949 ( 0.001 0.859 -6.569) 6.625 22.953 ( -0.001 0.423 -6.551) 6.565 23.193 ( 0.000 -0.368 -6.022) 6.033 23.194 ( -0.000 -0.477 -5.738) 5.757 23.436 ( 0.001 0.773 5.206) 5.263 23.437 ( -0.001 0.697 5.266) 5.312 23.635 ( -0.000 0.667 10.467) 10.489 23.643 ( 0.000 -0.108 10.414) 10.415 23.983 ( 0.000 0.994 -2.451) 2.645 23.988 ( -0.000 0.453 -1.996) 2.047 24.198 ( 0.000 0.613 -5.999) 6.030 24.204 ( -0.000 0.009 -5.133) 5.133 24.337 ( 0.000 0.320 -7.599) 7.605 24.341 ( -0.000 -0.160 -6.636) 6.638 24.802 ( 0.000 1.335 6.906) 7.033 24.815 ( -0.000 0.063 6.365) 6.365 25.235 ( 0.000 1.253 0.101) 1.257 25.245 ( -0.000 0.334 -0.111) 0.352 25.374 ( -0.000 0.137 -8.314) 8.316 25.386 ( 0.000 -1.066 -8.682) 8.747 25.816 ( -0.000 0.421 5.184) 5.201 25.827 ( 0.000 -0.649 4.616) 4.661 26.101 ( -0.000 0.885 4.193) 4.285 26.138 ( 0.000 -2.787 5.228) 5.925 26.394 ( -0.000 -0.023 1.380) 1.380 26.405 ( 0.000 -0.990 2.426) 2.620 26.649 ( -0.000 -0.602 2.784) 2.848 26.676 ( 0.000 -3.508 2.416) 4.260 26.871 ( -0.000 0.405 -3.091) 3.118 26.888 ( 0.000 -1.208 -2.316) 2.612 27.223 ( -0.001 -0.637 -15.664) 15.677 27.223 ( 0.001 -0.647 -16.924) 16.937 28.057 ( -0.000 1.497 17.569) 17.633 28.098 ( 0.000 -2.537 18.110) 18.287 28.431 ( 0.000 -0.478 0.173) 0.508 28.436 ( -0.000 -1.009 -0.858) 1.325 28.508 ( -0.000 -0.217 -2.590) 2.599 28.521 ( 0.000 -1.530 -2.454) 2.892 29.248 ( -0.000 0.132 2.857) 2.860 29.252 ( 0.000 -0.220 3.653) 3.660 29.395 ( -0.000 -0.543 -6.835) 6.856 29.405 ( 0.000 -1.556 -5.992) 6.191 29.691 ( 0.000 -0.324 -2.334) 2.357 29.701 ( -0.000 -1.315 -2.360) 2.702 30.264 ( 0.000 0.007 -0.975) 0.975 30.272 ( -0.000 -0.737 -0.809) 1.094 30.726 ( 0.000 -0.137 0.441) 0.462 30.742 ( -0.000 -1.709 0.763) 1.872 30.810 ( 0.000 1.423 0.496) 1.506 30.834 ( 0.000 0.403 -2.834) 2.863 30.849 ( -0.000 -0.388 3.156) 3.180 30.882 ( 0.000 -2.086 -0.867) 2.259 30.986 ( 0.000 -1.289 2.833) 3.113 31.005 ( -0.000 -2.984 2.431) 3.849 31.477 ( -0.000 1.142 -4.790) 4.924 31.509 ( 0.000 -1.838 -5.536) 5.833 31.646 ( 0.000 -0.665 2.433) 2.522 31.646 ( -0.000 -0.587 3.647) 3.694 31.805 ( 0.000 -0.114 -3.553) 3.555 31.846 ( 0.000 -3.997 -3.099) 5.058 32.147 ( -0.000 0.751 4.497) 4.560 32.180 ( 0.000 -2.205 4.674) 5.168 32.588 ( -0.000 0.133 -3.085) 3.087 32.620 ( 0.000 -2.746 -2.808) 3.927 33.119 ( 0.000 -0.328 4.412) 4.424 33.138 ( -0.000 -2.202 4.542) 5.047 33.748 ( -0.000 0.343 -11.112) 11.117 33.773 ( 0.000 -2.185 -12.756) 12.942 34.454 ( 0.000 -0.132 20.227) 20.228 34.515 ( -0.000 -6.262 19.256) 20.249 35.732 ( 0.000 -4.129 -10.153) 10.960 35.755 ( -0.000 -6.544 -9.619) 11.634 ======================= Grid point 110 (37/54) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 0.000 -31.161) 31.161 1.421 ( 0.000 0.000 31.161) 31.161 1.592 ( 0.000 0.000 -33.447) 33.447 1.592 ( 0.000 0.000 33.447) 33.447 2.382 ( 0.000 0.000 -21.151) 21.151 2.382 ( 0.000 0.000 21.151) 21.151 2.572 ( 0.000 0.000 -15.631) 15.631 2.572 ( 0.000 0.000 15.631) 15.631 2.787 ( 0.000 0.000 -37.563) 37.563 2.787 ( 0.000 0.000 37.563) 37.563 2.882 ( 0.000 0.000 -1.831) 1.831 2.882 ( 0.000 0.000 1.831) 1.831 3.147 ( 0.000 0.000 -6.097) 6.097 3.147 ( 0.000 0.000 6.097) 6.097 3.159 ( 0.000 0.000 -4.329) 4.329 3.159 ( 0.000 0.000 4.329) 4.329 3.321 ( 0.000 0.000 -5.049) 5.049 3.321 ( 0.000 0.000 5.049) 5.049 3.382 ( 0.000 0.000 -3.600) 3.600 3.382 ( 0.000 0.000 3.600) 3.600 3.503 ( 0.000 0.000 -0.984) 0.984 3.503 ( 0.000 0.000 0.984) 0.984 3.713 ( 0.000 0.000 -6.748) 6.748 3.713 ( 0.000 0.000 6.748) 6.748 4.252 ( 0.000 0.000 -7.053) 7.053 4.252 ( 0.000 0.000 7.053) 7.053 4.337 ( 0.000 0.000 -4.323) 4.323 4.337 ( 0.000 0.000 4.323) 4.323 4.761 ( 0.000 0.000 -1.006) 1.006 4.761 ( 0.000 0.000 1.006) 1.006 4.964 ( 0.000 0.000 -2.129) 2.129 4.964 ( 0.000 0.000 2.129) 2.129 5.052 ( 0.000 0.000 -0.433) 0.433 5.052 ( 0.000 0.000 0.433) 0.433 5.808 ( 0.000 0.000 -3.942) 3.942 5.808 ( 0.000 0.000 3.942) 3.942 6.142 ( 0.000 0.000 -3.686) 3.686 6.142 ( 0.000 0.000 3.686) 3.686 6.834 ( 0.000 0.000 -6.957) 6.957 6.834 ( 0.000 0.000 6.957) 6.957 6.881 ( 0.000 0.000 -15.562) 15.562 6.881 ( 0.000 0.000 15.562) 15.562 7.129 ( 0.000 0.000 -2.702) 2.702 7.129 ( 0.000 0.000 2.702) 2.702 7.292 ( 0.000 0.000 -5.432) 5.432 7.292 ( 0.000 0.000 5.432) 5.432 7.334 ( 0.000 0.000 -9.121) 9.121 7.334 ( 0.000 0.000 9.121) 9.121 7.630 ( 0.000 0.000 -3.598) 3.598 7.630 ( 0.000 0.000 3.598) 3.598 7.739 ( 0.000 0.000 -17.226) 17.226 7.739 ( 0.000 0.000 17.226) 17.226 8.020 ( 0.000 0.000 -5.237) 5.237 8.020 ( 0.000 0.000 5.237) 5.237 8.431 ( 0.000 0.000 -4.250) 4.250 8.431 ( 0.000 0.000 4.250) 4.250 8.588 ( 0.000 0.000 -6.850) 6.850 8.588 ( 0.000 0.000 6.850) 6.850 8.607 ( 0.000 0.000 -7.615) 7.615 8.607 ( 0.000 0.000 7.615) 7.615 8.999 ( 0.000 0.000 -12.943) 12.943 8.999 ( 0.000 0.000 12.943) 12.943 9.295 ( 0.000 0.000 -4.308) 4.308 9.295 ( 0.000 0.000 4.308) 4.308 9.433 ( 0.000 0.000 -1.524) 1.524 9.433 ( 0.000 0.000 1.524) 1.524 9.901 ( 0.000 0.000 -1.905) 1.905 9.901 ( 0.000 0.000 1.905) 1.905 10.197 ( 0.000 0.000 -2.592) 2.592 10.197 ( 0.000 0.000 2.592) 2.592 10.510 ( 0.000 0.000 -5.749) 5.749 10.510 ( 0.000 0.000 5.749) 5.749 10.794 ( 0.000 0.000 -11.588) 11.588 10.794 ( 0.000 0.000 11.588) 11.588 10.956 ( 0.000 0.000 -15.632) 15.632 10.956 ( 0.000 0.000 15.632) 15.632 11.274 ( 0.000 0.000 -4.877) 4.877 11.274 ( 0.000 0.000 4.877) 4.877 11.461 ( 0.000 0.000 -1.904) 1.904 11.461 ( 0.000 0.000 1.904) 1.904 11.654 ( 0.000 0.000 -15.394) 15.394 11.654 ( 0.000 0.000 15.394) 15.394 11.995 ( 0.000 0.000 -11.880) 11.880 11.995 ( 0.000 0.000 11.880) 11.880 12.031 ( 0.000 0.000 -14.214) 14.214 12.031 ( 0.000 0.000 14.214) 14.214 12.044 ( 0.000 0.000 -0.800) 0.800 12.044 ( 0.000 0.000 0.800) 0.800 12.224 ( 0.000 0.000 -1.096) 1.096 12.224 ( 0.000 0.000 1.096) 1.096 12.459 ( 0.000 0.000 -6.175) 6.175 12.459 ( 0.000 0.000 6.175) 6.175 12.561 ( 0.000 0.000 -8.126) 8.126 12.561 ( 0.000 0.000 8.126) 8.126 12.634 ( 0.000 0.000 -3.604) 3.604 12.634 ( 0.000 0.000 3.604) 3.604 12.921 ( 0.000 0.000 -1.283) 1.283 12.921 ( 0.000 0.000 1.283) 1.283 13.147 ( 0.000 0.000 -9.915) 9.915 13.147 ( 0.000 0.000 9.915) 9.915 13.200 ( 0.000 0.000 -21.398) 21.398 13.200 ( 0.000 0.000 21.398) 21.398 13.325 ( 0.000 0.000 -5.557) 5.557 13.325 ( 0.000 0.000 5.557) 5.557 13.614 ( 0.000 0.000 -11.084) 11.084 13.614 ( 0.000 0.000 11.084) 11.084 13.634 ( 0.000 0.000 -14.562) 14.562 13.634 ( 0.000 0.000 14.562) 14.562 14.234 ( 0.000 0.000 -4.964) 4.964 14.234 ( 0.000 0.000 4.964) 4.964 14.709 ( 0.000 0.000 -21.458) 21.458 14.709 ( 0.000 0.000 21.458) 21.458 14.885 ( 0.000 0.000 -7.694) 7.694 14.885 ( 0.000 0.000 7.694) 7.694 15.204 ( 0.000 0.000 -13.400) 13.400 15.204 ( 0.000 0.000 13.400) 13.400 15.260 ( 0.000 0.000 -14.872) 14.872 15.260 ( 0.000 0.000 14.872) 14.872 15.924 ( 0.000 0.000 -2.242) 2.242 15.924 ( 0.000 0.000 2.242) 2.242 15.936 ( 0.000 0.000 -15.011) 15.011 15.936 ( 0.000 0.000 15.011) 15.011 15.985 ( 0.000 0.000 -10.829) 10.829 15.985 ( 0.000 0.000 10.829) 10.829 17.128 ( 0.000 0.000 -2.141) 2.141 17.128 ( 0.000 0.000 2.141) 2.141 17.264 ( 0.000 0.000 -18.219) 18.219 17.264 ( 0.000 0.000 18.219) 18.219 17.619 ( 0.000 0.000 -2.072) 2.072 17.619 ( 0.000 0.000 2.072) 2.072 17.899 ( 0.000 0.000 -3.692) 3.692 17.899 ( 0.000 0.000 3.692) 3.692 17.991 ( 0.000 0.000 -19.867) 19.867 17.991 ( 0.000 0.000 19.867) 19.867 18.268 ( 0.000 0.000 -5.960) 5.960 18.268 ( 0.000 0.000 5.960) 5.960 18.381 ( 0.000 0.000 -5.316) 5.316 18.381 ( 0.000 0.000 5.316) 5.316 18.489 ( 0.000 0.000 -0.975) 0.975 18.489 ( 0.000 0.000 0.975) 0.975 18.557 ( 0.000 0.000 -5.836) 5.836 18.557 ( 0.000 0.000 5.836) 5.836 18.953 ( 0.000 0.000 -5.335) 5.335 18.953 ( 0.000 0.000 5.335) 5.335 19.012 ( 0.000 0.000 -3.240) 3.240 19.012 ( 0.000 0.000 3.240) 3.240 19.525 ( 0.000 0.000 -2.515) 2.515 19.525 ( 0.000 0.000 2.515) 2.515 19.662 ( 0.000 0.000 -3.633) 3.633 19.662 ( 0.000 0.000 3.633) 3.633 20.285 ( 0.000 0.000 -5.681) 5.681 20.285 ( 0.000 0.000 5.681) 5.681 20.646 ( 0.000 0.000 -9.468) 9.468 20.646 ( 0.000 0.000 9.468) 9.468 20.854 ( 0.000 0.000 -10.293) 10.293 20.854 ( 0.000 0.000 10.293) 10.293 21.034 ( 0.000 0.000 -2.408) 2.408 21.034 ( 0.000 0.000 2.408) 2.408 21.203 ( 0.000 0.000 -2.654) 2.654 21.203 ( 0.000 0.000 2.654) 2.654 21.453 ( 0.000 0.000 -5.959) 5.959 21.453 ( 0.000 0.000 5.959) 5.959 21.536 ( 0.000 0.000 -16.399) 16.399 21.536 ( 0.000 0.000 16.399) 16.399 22.435 ( 0.000 0.000 -11.758) 11.758 22.435 ( 0.000 0.000 11.758) 11.758 22.687 ( 0.000 0.000 -0.197) 0.197 22.687 ( 0.000 0.000 0.197) 0.197 23.099 ( 0.000 0.000 -14.260) 14.260 23.099 ( 0.000 0.000 14.260) 14.260 23.140 ( 0.000 0.000 -5.829) 5.829 23.140 ( 0.000 0.000 5.829) 5.829 23.184 ( 0.000 0.000 -11.416) 11.416 23.184 ( 0.000 0.000 11.416) 11.416 23.860 ( 0.000 0.000 -2.100) 2.100 23.860 ( 0.000 0.000 2.100) 2.100 23.917 ( 0.000 0.000 -1.127) 1.127 23.917 ( 0.000 0.000 1.127) 1.127 24.412 ( 0.000 0.000 -10.169) 10.169 24.412 ( 0.000 0.000 10.169) 10.169 24.519 ( 0.000 0.000 -5.662) 5.662 24.519 ( 0.000 0.000 5.662) 5.662 25.009 ( 0.000 0.000 -0.201) 0.201 25.009 ( 0.000 0.000 0.201) 0.201 25.017 ( 0.000 0.000 -21.697) 21.697 25.017 ( 0.000 0.000 21.697) 21.697 25.581 ( 0.000 0.000 -6.151) 6.151 25.581 ( 0.000 0.000 6.151) 6.151 25.718 ( 0.000 0.000 -23.433) 23.433 25.718 ( 0.000 0.000 23.433) 23.433 25.851 ( 0.000 0.000 -6.875) 6.875 25.851 ( 0.000 0.000 6.875) 6.875 26.262 ( 0.000 0.000 -4.120) 4.120 26.262 ( 0.000 0.000 4.120) 4.120 26.873 ( 0.000 0.000 -1.409) 1.409 26.873 ( 0.000 0.000 1.409) 1.409 27.206 ( 0.000 0.000 -20.652) 20.652 27.206 ( 0.000 0.000 20.652) 20.652 28.127 ( 0.000 0.000 -11.073) 11.073 28.127 ( 0.000 0.000 11.073) 11.073 28.845 ( 0.000 0.000 -4.764) 4.764 28.845 ( 0.000 0.000 4.764) 4.764 28.975 ( 0.000 0.000 -14.459) 14.459 28.975 ( 0.000 0.000 14.459) 14.459 29.022 ( 0.000 0.000 -5.953) 5.953 29.022 ( 0.000 0.000 5.953) 5.953 29.317 ( 0.000 0.000 -3.185) 3.185 29.317 ( 0.000 0.000 3.185) 3.185 29.593 ( 0.000 0.000 -17.316) 17.316 29.593 ( 0.000 0.000 17.316) 17.316 29.873 ( 0.000 0.000 -19.035) 19.035 29.873 ( 0.000 0.000 19.035) 19.035 30.504 ( 0.000 0.000 -9.961) 9.961 30.504 ( 0.000 0.000 9.961) 9.961 30.916 ( 0.000 0.000 -5.052) 5.052 30.916 ( 0.000 0.000 5.052) 5.052 31.121 ( 0.000 0.000 -3.153) 3.153 31.121 ( 0.000 0.000 3.153) 3.153 31.223 ( 0.000 0.000 -2.739) 2.739 31.223 ( 0.000 0.000 2.739) 2.739 31.377 ( 0.000 0.000 -2.696) 2.696 31.377 ( 0.000 0.000 2.696) 2.696 31.875 ( 0.000 0.000 -6.187) 6.187 31.875 ( 0.000 0.000 6.187) 6.187 32.300 ( 0.000 0.000 -1.149) 1.149 32.300 ( 0.000 0.000 1.149) 1.149 32.587 ( 0.000 0.000 -11.712) 11.712 32.587 ( 0.000 0.000 11.712) 11.712 32.632 ( 0.000 0.000 -6.932) 6.932 32.632 ( 0.000 0.000 6.932) 6.932 32.988 ( 0.000 0.000 -3.024) 3.024 32.988 ( 0.000 0.000 3.024) 3.024 33.295 ( 0.000 0.000 -0.356) 0.356 33.295 ( 0.000 0.000 0.356) 0.356 33.795 ( 0.000 0.000 -0.108) 0.108 33.795 ( 0.000 0.000 0.108) 0.108 33.898 ( 0.000 0.000 -1.871) 1.871 33.898 ( 0.000 0.000 1.871) 1.871 34.864 ( 0.000 0.000 -1.610) 1.610 34.864 ( 0.000 0.000 1.610) 1.610 ======================= Grid point 112 (38/54) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 17.575 0.000 -26.090) 31.457 1.602 ( 17.575 0.000 26.090) 31.457 1.756 ( 14.869 0.000 -24.178) 28.385 1.756 ( 14.869 0.000 24.178) 28.385 2.348 ( -10.959 0.000 -3.621) 11.542 2.348 ( -10.959 0.000 3.621) 11.542 2.605 ( 4.986 0.000 -3.085) 5.863 2.605 ( 4.986 0.000 3.085) 5.863 2.798 ( -11.562 0.000 -4.968) 12.584 2.798 ( -11.562 0.000 4.968) 12.584 2.845 ( 5.694 0.000 -25.806) 26.426 2.845 ( 5.694 0.000 25.806) 26.426 3.071 ( 7.403 0.000 -8.202) 11.049 3.071 ( 7.403 0.000 8.202) 11.049 3.255 ( -3.138 0.000 -0.693) 3.214 3.255 ( -3.138 0.000 0.693) 3.214 3.310 ( 2.583 0.000 -0.200) 2.591 3.310 ( 2.583 0.000 0.200) 2.591 3.397 ( 0.737 0.000 -0.201) 0.764 3.397 ( 0.737 0.000 0.201) 0.764 3.505 ( 0.235 0.000 -0.693) 0.732 3.505 ( 0.235 0.000 0.693) 0.732 3.708 ( 0.022 0.000 -4.768) 4.768 3.708 ( 0.022 0.000 4.768) 4.768 4.074 ( -16.446 0.000 -2.841) 16.690 4.074 ( -16.446 0.000 2.841) 16.690 4.314 ( -1.224 0.000 -2.175) 2.495 4.314 ( -1.224 0.000 2.175) 2.495 4.654 ( -0.680 0.000 -2.561) 2.649 4.654 ( -0.680 0.000 2.561) 2.649 4.952 ( -8.387 0.000 -0.314) 8.393 4.952 ( -8.387 0.000 0.314) 8.393 5.242 ( 15.478 0.000 -1.952) 15.601 5.242 ( 15.478 0.000 1.952) 15.601 5.731 ( -6.159 0.000 -4.367) 7.551 5.731 ( -6.159 0.000 4.367) 7.551 6.311 ( 14.333 0.000 -1.806) 14.446 6.311 ( 14.333 0.000 1.806) 14.446 6.822 ( -0.493 0.000 -13.912) 13.921 6.822 ( -0.493 0.000 13.912) 13.921 6.884 ( -2.445 0.000 -2.542) 3.527 6.884 ( -2.445 0.000 2.542) 3.527 7.098 ( -16.624 0.000 -4.387) 17.194 7.098 ( -16.624 0.000 4.387) 17.194 7.190 ( 3.404 0.000 -8.438) 9.098 7.190 ( 3.404 0.000 8.438) 9.098 7.385 ( 6.673 0.000 -3.175) 7.390 7.385 ( 6.673 0.000 3.175) 7.390 7.487 ( 2.070 0.000 -6.035) 6.380 7.487 ( 2.070 0.000 6.035) 6.380 7.927 ( 1.315 0.000 -12.631) 12.699 7.927 ( 1.315 0.000 12.631) 12.699 8.125 ( 9.805 0.000 -7.618) 12.417 8.125 ( 9.805 0.000 7.618) 12.417 8.358 ( -6.633 0.000 -4.126) 7.812 8.358 ( -6.633 0.000 4.126) 7.812 8.446 ( -6.343 0.000 -5.463) 8.372 8.446 ( -6.343 0.000 5.463) 8.372 8.788 ( -3.289 0.000 -12.348) 12.779 8.788 ( -3.289 0.000 12.348) 12.779 8.921 ( 6.737 0.000 -5.032) 8.409 8.921 ( 6.737 0.000 5.032) 8.409 9.098 ( -3.516 0.000 -8.165) 8.890 9.098 ( -3.516 0.000 8.165) 8.890 9.623 ( 7.061 0.000 -3.454) 7.860 9.623 ( 7.061 0.000 3.454) 7.860 10.019 ( -14.253 0.000 -5.274) 15.198 10.019 ( -14.253 0.000 5.274) 15.198 10.096 ( 13.506 0.000 -6.813) 15.127 10.096 ( 13.506 0.000 6.813) 15.127 10.452 ( -9.794 0.000 -5.019) 11.005 10.452 ( -9.794 0.000 5.019) 11.005 10.832 ( -0.012 0.000 -11.228) 11.228 10.832 ( -0.012 0.000 11.228) 11.228 10.914 ( -3.604 0.000 -7.368) 8.202 10.914 ( -3.604 0.000 7.368) 8.202 11.117 ( -1.232 0.000 -9.535) 9.614 11.117 ( -1.232 0.000 9.535) 9.614 11.437 ( -0.797 0.000 -0.446) 0.913 11.437 ( -0.797 0.000 0.446) 0.913 11.729 ( 2.018 0.000 -9.331) 9.547 11.729 ( 2.018 0.000 9.331) 9.547 11.799 ( -13.728 0.000 -3.031) 14.058 11.799 ( -13.728 0.000 3.031) 14.058 12.125 ( 7.432 0.000 -6.842) 10.102 12.125 ( 7.432 0.000 6.842) 10.102 12.169 ( 3.576 0.000 -2.262) 4.231 12.169 ( 3.576 0.000 2.262) 4.231 12.244 ( 2.506 0.000 -1.244) 2.798 12.244 ( 2.506 0.000 1.244) 2.798 12.341 ( 2.081 0.000 -2.317) 3.114 12.341 ( 2.081 0.000 2.317) 3.114 12.594 ( 2.592 0.000 -5.592) 6.163 12.594 ( 2.592 0.000 5.592) 6.163 12.755 ( -0.648 0.000 -2.254) 2.345 12.755 ( -0.648 0.000 2.254) 2.345 12.870 ( -6.569 0.000 -6.615) 9.323 12.870 ( -6.569 0.000 6.615) 9.323 13.003 ( -3.446 0.000 -18.759) 19.073 13.003 ( -3.446 0.000 18.759) 19.073 13.252 ( 9.299 0.000 -4.326) 10.256 13.252 ( 9.299 0.000 4.326) 10.256 13.500 ( 2.211 0.000 -0.697) 2.318 13.500 ( 2.211 0.000 0.697) 2.318 13.562 ( -0.679 0.000 -9.958) 9.981 13.562 ( -0.679 0.000 9.958) 9.981 13.860 ( 12.352 0.000 -5.520) 13.530 13.860 ( 12.352 0.000 5.520) 13.530 14.311 ( 10.935 0.000 -5.075) 12.055 14.311 ( 10.935 0.000 5.075) 12.055 14.627 ( -7.574 0.000 -12.504) 14.619 14.627 ( -7.574 0.000 12.504) 14.619 14.892 ( 0.455 0.000 -2.640) 2.679 14.892 ( 0.455 0.000 2.640) 2.679 15.187 ( -1.319 0.000 -10.136) 10.222 15.187 ( -1.319 0.000 10.136) 10.222 15.229 ( -3.646 0.000 -11.522) 12.085 15.229 ( -3.646 0.000 11.522) 12.085 15.706 ( -5.229 0.000 -9.772) 11.083 15.706 ( -5.229 0.000 9.772) 11.083 15.920 ( -0.126 0.000 -0.231) 0.263 15.920 ( -0.126 0.000 0.231) 0.263 16.204 ( 4.233 0.000 -11.035) 11.819 16.204 ( 4.233 0.000 11.035) 11.819 16.786 ( -15.816 0.000 -2.056) 15.949 16.786 ( -15.816 0.000 2.056) 15.949 17.172 ( -12.713 0.000 -17.431) 21.575 17.172 ( -12.713 0.000 17.431) 21.575 17.831 ( 11.872 0.000 -0.462) 11.881 17.831 ( 11.872 0.000 0.462) 11.881 17.885 ( 1.482 0.000 -2.273) 2.713 17.885 ( 1.482 0.000 2.273) 2.713 18.033 ( 1.824 0.000 -9.524) 9.697 18.033 ( 1.824 0.000 9.524) 9.697 18.288 ( -6.125 0.000 -1.986) 6.439 18.288 ( -6.125 0.000 1.986) 6.439 18.361 ( 5.446 0.000 -3.789) 6.634 18.361 ( 5.446 0.000 3.789) 6.634 18.486 ( -1.616 0.000 -5.389) 5.626 18.486 ( -1.616 0.000 5.389) 5.626 18.619 ( 5.159 0.000 -2.104) 5.571 18.619 ( 5.159 0.000 2.104) 5.571 18.975 ( 2.310 0.000 -5.790) 6.233 18.975 ( 2.310 0.000 5.790) 6.233 19.032 ( 1.263 0.000 -5.183) 5.334 19.032 ( 1.263 0.000 5.183) 5.334 19.641 ( 10.505 0.000 -3.399) 11.041 19.641 ( 10.505 0.000 3.399) 11.041 19.849 ( 17.800 0.000 -8.386) 19.676 19.849 ( 17.800 0.000 8.386) 19.676 20.202 ( -8.205 0.000 -3.012) 8.741 20.202 ( -8.205 0.000 3.012) 8.741 20.680 ( 0.933 0.000 -10.894) 10.933 20.680 ( 0.933 0.000 10.894) 10.933 20.735 ( -10.284 0.000 -6.860) 12.362 20.735 ( -10.284 0.000 6.860) 12.362 20.974 ( -8.212 0.000 -0.031) 8.212 20.974 ( -8.212 0.000 0.031) 8.212 21.149 ( 0.486 0.000 -5.718) 5.738 21.149 ( 0.486 0.000 5.718) 5.738 21.333 ( 0.054 0.000 -3.585) 3.586 21.333 ( 0.054 0.000 3.585) 3.586 21.663 ( -6.699 0.000 -1.608) 6.889 21.663 ( -6.699 0.000 1.608) 6.889 22.279 ( 1.495 0.000 -1.126) 1.871 22.279 ( 1.495 0.000 1.126) 1.871 22.806 ( -5.642 0.000 -6.079) 8.293 22.806 ( -5.642 0.000 6.079) 8.293 22.893 ( -5.757 0.000 -8.516) 10.279 22.893 ( -5.757 0.000 8.516) 10.279 23.151 ( 3.076 0.000 -9.297) 9.793 23.151 ( 3.076 0.000 9.297) 9.793 23.351 ( 8.937 0.000 -4.166) 9.860 23.351 ( 8.937 0.000 4.166) 9.860 23.779 ( -5.810 0.000 -2.639) 6.381 23.779 ( -5.810 0.000 2.639) 6.381 23.947 ( 1.448 0.000 -1.651) 2.196 23.947 ( 1.448 0.000 1.651) 2.196 24.243 ( -9.460 0.000 -9.942) 13.724 24.243 ( -9.460 0.000 9.942) 13.724 24.510 ( -18.580 0.000 -2.332) 18.726 24.510 ( -18.580 0.000 2.332) 18.726 24.673 ( 6.818 0.000 -5.471) 8.741 24.673 ( 6.818 0.000 5.471) 8.741 25.135 ( -5.801 0.000 -14.169) 15.311 25.135 ( -5.801 0.000 14.169) 15.311 25.388 ( -2.992 0.000 -10.430) 10.851 25.388 ( -2.992 0.000 10.430) 10.851 25.855 ( 1.215 0.000 -2.114) 2.439 25.855 ( 1.215 0.000 2.114) 2.439 26.167 ( 25.034 0.000 -16.199) 29.818 26.167 ( 25.034 0.000 16.199) 29.818 26.707 ( 25.297 0.000 -16.338) 30.114 26.707 ( 25.297 0.000 16.338) 30.114 26.901 ( 7.022 0.000 -0.115) 7.023 26.901 ( 7.022 0.000 0.115) 7.023 27.125 ( -7.576 0.000 -20.718) 22.060 27.125 ( -7.576 0.000 20.718) 22.060 28.191 ( 2.634 0.000 -10.836) 11.151 28.191 ( 2.634 0.000 10.836) 11.151 28.606 ( -18.229 0.000 -9.556) 20.582 28.606 ( -18.229 0.000 9.556) 20.582 28.738 ( -12.243 0.000 -2.239) 12.446 28.738 ( -12.243 0.000 2.239) 12.446 29.271 ( 14.857 0.000 -5.714) 15.918 29.271 ( 14.857 0.000 5.714) 15.918 29.319 ( 0.750 0.000 -2.687) 2.789 29.319 ( 0.750 0.000 2.687) 2.789 29.526 ( -0.250 0.000 -4.136) 4.143 29.526 ( -0.250 0.000 4.136) 4.143 30.090 ( 6.900 0.000 -3.253) 7.628 30.090 ( 6.900 0.000 3.253) 7.628 30.431 ( -1.955 0.000 -8.309) 8.536 30.431 ( -1.955 0.000 8.309) 8.536 30.835 ( -7.117 0.000 -2.898) 7.685 30.835 ( -7.117 0.000 2.898) 7.685 31.020 ( -5.761 0.000 -4.629) 7.390 31.020 ( -5.761 0.000 4.629) 7.390 31.303 ( 6.910 0.000 -2.178) 7.245 31.303 ( 6.910 0.000 2.178) 7.245 31.549 ( 11.508 0.000 -5.324) 12.680 31.549 ( 11.508 0.000 5.324) 12.680 31.882 ( -0.999 0.000 -9.580) 9.632 31.882 ( -0.999 0.000 9.580) 9.632 32.314 ( 1.413 0.000 -1.084) 1.781 32.314 ( 1.413 0.000 1.084) 1.781 32.436 ( -7.224 0.000 -0.055) 7.224 32.436 ( -7.224 0.000 0.055) 7.224 32.694 ( 0.629 0.000 -6.281) 6.313 32.694 ( 0.629 0.000 6.281) 6.313 33.042 ( 4.058 0.000 -3.211) 5.175 33.042 ( 4.058 0.000 3.211) 5.175 33.312 ( 1.379 0.000 -0.398) 1.435 33.312 ( 1.379 0.000 0.398) 1.435 33.786 ( -1.458 0.000 -0.604) 1.579 33.786 ( -1.458 0.000 0.604) 1.579 33.839 ( -4.067 0.000 -1.512) 4.339 33.839 ( -4.067 0.000 1.512) 4.339 34.789 ( -5.533 0.000 -0.442) 5.550 34.789 ( -5.533 0.000 0.442) 5.550 ======================= Grid point 114 (39/54) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.000 0.000 -0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.289 ( -0.000 0.000 -0.000) 0.000 2.289 ( 0.001 0.000 -0.001) 0.001 2.289 ( -0.001 0.000 0.001) 0.001 2.289 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.997 ( -0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.276 ( -0.000 0.000 -0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 -0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.356 ( -0.000 0.000 0.000) 0.000 3.554 ( -0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 -0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 -0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 -0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.643 ( -0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.716 ( -0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 -0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 6.913 ( -0.000 0.000 -0.000) 0.000 6.913 ( -0.000 0.000 0.000) 0.000 7.291 ( -0.000 0.000 -0.000) 0.000 7.291 ( 0.000 0.000 -0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.611 ( -0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.969 ( -0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 8.090 ( -0.000 0.000 -0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.269 ( 0.000 0.000 0.000) 0.000 8.269 ( 0.000 0.000 0.000) 0.000 8.470 ( -0.000 0.000 0.000) 0.000 8.470 ( -0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 -0.000) 0.000 9.072 ( -0.000 0.000 0.000) 0.000 9.176 ( -0.000 0.000 0.000) 0.000 9.176 ( 0.000 0.000 0.000) 0.000 9.699 ( 0.000 0.000 0.000) 0.000 9.699 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 9.799 ( -0.000 0.000 0.000) 0.000 10.188 ( -0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.824 ( -0.000 0.000 0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.910 ( -0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.211 ( -0.000 0.000 0.000) 0.000 11.211 ( 0.000 0.000 0.000) 0.000 11.417 ( 0.000 0.000 0.000) 0.000 11.417 ( 0.000 0.000 0.000) 0.000 11.564 ( 0.000 0.000 -0.000) 0.000 11.564 ( -0.000 0.000 0.000) 0.000 11.763 ( 0.000 0.000 0.000) 0.000 11.763 ( 0.000 0.000 0.000) 0.000 12.152 ( 0.000 0.000 0.000) 0.000 12.152 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.399 ( -0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.428 ( -0.000 0.000 0.000) 0.000 12.428 ( -0.000 0.000 0.000) 0.000 12.588 ( 0.000 0.000 -0.000) 0.000 12.588 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.801 ( 0.000 0.000 0.000) 0.000 12.801 ( 0.000 0.000 0.000) 0.000 12.965 ( -0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 0.000) 0.000 13.406 ( -0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.435 ( -0.000 0.000 0.000) 0.000 13.435 ( -0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.940 ( 0.000 0.000 0.000) 0.000 13.940 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.539 ( -0.000 0.000 0.000) 0.000 14.539 ( -0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 15.173 ( -0.000 0.000 -0.000) 0.000 15.173 ( -0.000 0.000 0.000) 0.000 15.173 ( 0.000 0.000 -0.000) 0.000 15.173 ( 0.000 0.000 0.000) 0.000 15.686 ( 0.000 0.000 -0.000) 0.000 15.686 ( 0.000 0.000 0.000) 0.000 15.966 ( 0.000 0.000 0.000) 0.000 15.966 ( 0.000 0.000 0.000) 0.000 16.147 ( -0.000 0.000 0.000) 0.000 16.147 ( -0.000 0.000 0.000) 0.000 16.643 ( -0.000 0.000 0.000) 0.000 16.643 ( 0.000 0.000 0.000) 0.000 17.013 ( 0.000 0.000 0.000) 0.000 17.013 ( 0.000 0.000 0.000) 0.000 17.928 ( 0.000 0.000 0.000) 0.000 17.928 ( 0.000 0.000 0.000) 0.000 18.004 ( 0.000 0.000 0.000) 0.000 18.004 ( 0.000 0.000 0.000) 0.000 18.042 ( 0.000 0.000 0.000) 0.000 18.042 ( 0.000 0.000 0.000) 0.000 18.119 ( -0.000 0.000 -0.000) 0.000 18.119 ( 0.000 0.000 0.000) 0.000 18.452 ( -0.000 0.000 -0.000) 0.000 18.452 ( -0.000 0.000 0.000) 0.000 18.462 ( 0.000 0.000 -0.000) 0.000 18.462 ( 0.000 0.000 0.000) 0.000 18.686 ( 0.000 0.000 0.000) 0.000 18.686 ( 0.000 0.000 0.000) 0.000 19.019 ( -0.000 0.000 -0.000) 0.000 19.019 ( 0.000 0.000 -0.000) 0.000 19.032 ( 0.000 0.000 0.000) 0.000 19.032 ( 0.000 0.000 0.000) 0.000 19.843 ( -0.000 0.000 0.000) 0.000 19.843 ( -0.000 0.000 0.000) 0.000 19.984 ( 0.000 0.000 0.000) 0.000 19.984 ( 0.000 0.000 0.000) 0.000 20.239 ( 0.000 0.000 0.000) 0.000 20.239 ( 0.000 0.000 0.000) 0.000 20.460 ( -0.000 0.000 0.000) 0.000 20.460 ( -0.000 0.000 0.000) 0.000 20.662 ( 0.000 0.000 0.000) 0.000 20.662 ( 0.000 0.000 0.000) 0.000 20.937 ( -0.000 0.000 -0.000) 0.000 20.937 ( 0.000 0.000 0.000) 0.000 21.205 ( 0.000 0.000 0.000) 0.000 21.205 ( 0.000 0.000 0.000) 0.000 21.380 ( 0.000 0.000 0.000) 0.000 21.380 ( -0.000 0.000 0.000) 0.000 21.432 ( 0.000 0.000 -0.000) 0.000 21.432 ( -0.000 0.000 0.000) 0.000 22.439 ( 0.000 0.000 0.000) 0.000 22.439 ( -0.000 0.000 0.000) 0.000 22.574 ( -0.000 0.000 0.000) 0.000 22.574 ( 0.000 0.000 -0.000) 0.000 22.883 ( 0.000 0.000 0.000) 0.000 22.883 ( 0.000 0.000 0.000) 0.000 23.220 ( 0.000 0.000 0.000) 0.000 23.220 ( 0.000 0.000 0.000) 0.000 23.455 ( 0.000 0.000 0.000) 0.000 23.455 ( -0.000 0.000 0.000) 0.000 23.696 ( 0.000 0.000 0.000) 0.000 23.696 ( 0.000 0.000 -0.000) 0.000 23.963 ( 0.000 0.000 0.000) 0.000 23.963 ( 0.000 0.000 0.000) 0.000 24.132 ( 0.000 0.000 0.000) 0.000 24.132 ( 0.000 0.000 0.000) 0.000 24.334 ( 0.000 0.000 0.000) 0.000 24.334 ( 0.000 0.000 0.000) 0.000 24.755 ( -0.000 0.000 0.000) 0.000 24.755 ( 0.000 0.000 0.000) 0.000 25.039 ( 0.000 0.000 0.000) 0.000 25.039 ( 0.000 0.000 0.000) 0.000 25.386 ( 0.000 0.000 0.000) 0.000 25.386 ( 0.000 0.000 0.000) 0.000 25.856 ( 0.000 0.000 0.000) 0.000 25.856 ( 0.000 0.000 0.000) 0.000 26.528 ( -0.000 0.000 0.000) 0.000 26.528 ( 0.000 0.000 0.000) 0.000 26.775 ( -0.000 0.000 0.000) 0.000 26.775 ( -0.000 0.000 0.000) 0.000 27.008 ( -0.000 0.000 0.000) 0.000 27.008 ( 0.000 0.000 0.000) 0.000 27.192 ( 0.000 0.000 0.000) 0.000 27.192 ( 0.000 0.000 0.000) 0.000 28.084 ( 0.000 0.000 0.000) 0.000 28.084 ( 0.000 0.000 0.000) 0.000 28.493 ( 0.000 0.000 0.000) 0.000 28.493 ( 0.000 0.000 0.000) 0.000 28.586 ( -0.000 0.000 0.000) 0.000 28.586 ( -0.000 0.000 0.000) 0.000 29.317 ( 0.000 0.000 0.000) 0.000 29.317 ( 0.000 0.000 0.000) 0.000 29.425 ( 0.000 0.000 -0.000) 0.000 29.425 ( -0.000 0.000 -0.000) 0.000 29.609 ( 0.000 0.000 0.000) 0.000 29.609 ( 0.000 0.000 0.000) 0.000 30.039 ( -0.000 0.000 0.000) 0.000 30.039 ( -0.000 0.000 0.000) 0.000 30.484 ( 0.000 0.000 -0.000) 0.000 30.484 ( 0.000 0.000 0.000) 0.000 30.751 ( 0.000 0.000 0.000) 0.000 30.751 ( 0.000 0.000 0.000) 0.000 30.944 ( -0.000 0.000 0.000) 0.000 30.944 ( 0.000 0.000 0.000) 0.000 31.393 ( 0.000 0.000 0.000) 0.000 31.393 ( -0.000 0.000 0.000) 0.000 31.712 ( -0.000 0.000 -0.000) 0.000 31.712 ( -0.000 0.000 0.000) 0.000 31.821 ( 0.000 0.000 0.000) 0.000 31.821 ( 0.000 0.000 0.000) 0.000 32.346 ( -0.000 0.000 0.000) 0.000 32.346 ( 0.000 0.000 0.000) 0.000 32.358 ( 0.000 0.000 0.000) 0.000 32.358 ( 0.000 0.000 0.000) 0.000 32.688 ( 0.000 0.000 0.000) 0.000 32.688 ( 0.000 0.000 0.000) 0.000 33.090 ( 0.000 0.000 0.000) 0.000 33.090 ( 0.000 0.000 0.000) 0.000 33.329 ( 0.000 0.000 0.000) 0.000 33.329 ( 0.000 0.000 0.000) 0.000 33.745 ( 0.000 0.000 0.000) 0.000 33.745 ( 0.000 0.000 0.000) 0.000 33.809 ( 0.000 0.000 0.000) 0.000 33.809 ( 0.000 0.000 0.000) 0.000 34.724 ( 0.000 0.000 0.000) 0.000 34.724 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 120 (40/54) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 16.031 -26.328) 30.825 1.594 ( 0.000 16.031 26.328) 30.825 1.690 ( 0.000 9.112 -30.448) 31.782 1.690 ( 0.000 9.112 30.448) 31.782 2.389 ( 0.000 0.879 -17.492) 17.514 2.389 ( 0.000 0.879 17.492) 17.514 2.581 ( 0.000 0.985 -13.554) 13.590 2.581 ( 0.000 0.985 13.554) 13.590 2.766 ( 0.000 -1.591 -35.028) 35.065 2.766 ( 0.000 -1.591 35.028) 35.065 2.888 ( 0.000 0.585 -2.893) 2.951 2.888 ( 0.000 0.585 2.893) 2.951 3.166 ( 0.000 0.752 -3.570) 3.648 3.166 ( 0.000 0.752 3.570) 3.648 3.167 ( 0.000 1.360 -5.444) 5.611 3.167 ( 0.000 1.360 5.444) 5.611 3.343 ( 0.000 -3.105 -2.299) 3.863 3.343 ( 0.000 -3.105 2.299) 3.863 3.366 ( 0.000 4.285 -5.851) 7.252 3.366 ( 0.000 4.285 5.851) 7.252 3.483 ( 0.000 -0.764 -0.142) 0.777 3.483 ( 0.000 -0.764 0.142) 0.777 3.759 ( 0.000 2.935 -6.324) 6.972 3.759 ( 0.000 2.935 6.324) 6.972 4.235 ( 0.000 -1.927 -7.062) 7.320 4.235 ( 0.000 -1.927 7.062) 7.320 4.344 ( 0.000 0.544 -3.165) 3.211 4.344 ( 0.000 0.544 3.165) 3.211 4.740 ( 0.000 -2.296 -2.361) 3.294 4.740 ( 0.000 -2.296 2.361) 3.294 4.956 ( 0.000 -0.460 -3.916) 3.943 4.956 ( 0.000 -0.460 3.916) 3.943 5.017 ( 0.000 -3.702 -1.020) 3.840 5.017 ( 0.000 -3.702 1.020) 3.840 5.792 ( 0.000 -1.427 -3.634) 3.904 5.792 ( 0.000 -1.427 3.634) 3.904 6.159 ( 0.000 1.519 -4.750) 4.987 6.159 ( 0.000 1.519 4.750) 4.987 6.788 ( 0.000 -6.382 -14.147) 15.520 6.788 ( 0.000 -6.382 14.147) 15.520 6.818 ( 0.000 -1.503 -6.708) 6.874 6.818 ( 0.000 -1.503 6.708) 6.874 7.070 ( 0.000 -4.650 -6.236) 7.779 7.070 ( 0.000 -4.650 6.236) 7.779 7.315 ( 0.000 -1.099 -6.276) 6.371 7.315 ( 0.000 -1.099 6.276) 6.371 7.328 ( 0.000 -0.707 -10.135) 10.160 7.328 ( 0.000 -0.707 10.135) 10.160 7.736 ( 0.000 7.361 -3.260) 8.051 7.736 ( 0.000 7.361 3.260) 8.051 7.751 ( 0.000 1.093 -16.912) 16.947 7.751 ( 0.000 1.093 16.912) 16.947 8.031 ( 0.000 2.367 -4.658) 5.225 8.031 ( 0.000 2.367 4.658) 5.225 8.439 ( 0.000 0.655 -11.476) 11.495 8.439 ( 0.000 0.655 11.476) 11.495 8.584 ( 0.000 -0.382 -6.480) 6.491 8.584 ( 0.000 -0.382 6.480) 6.491 8.641 ( 0.000 3.296 -3.222) 4.610 8.641 ( 0.000 3.296 3.222) 4.610 9.007 ( 0.000 0.597 -11.484) 11.500 9.007 ( 0.000 0.597 11.484) 11.500 9.305 ( 0.000 0.861 -4.361) 4.445 9.305 ( 0.000 0.861 4.361) 4.445 9.461 ( 0.000 1.599 -3.200) 3.577 9.461 ( 0.000 1.599 3.200) 3.577 9.895 ( 0.000 -0.554 -2.216) 2.285 9.895 ( 0.000 -0.554 2.216) 2.285 10.221 ( 0.000 1.607 -4.604) 4.877 10.221 ( 0.000 1.607 4.604) 4.877 10.502 ( 0.000 -0.663 -5.912) 5.949 10.502 ( 0.000 -0.663 5.912) 5.949 10.811 ( 0.000 1.570 -11.980) 12.082 10.811 ( 0.000 1.570 11.980) 12.082 10.919 ( 0.000 -3.661 -15.645) 16.068 10.919 ( 0.000 -3.661 15.645) 16.068 11.231 ( 0.000 -4.150 -6.503) 7.714 11.231 ( 0.000 -4.150 6.503) 7.714 11.434 ( 0.000 -2.115 -0.844) 2.277 11.434 ( 0.000 -2.115 0.844) 2.277 11.607 ( 0.000 -4.835 -10.833) 11.863 11.607 ( 0.000 -4.835 10.833) 11.863 11.915 ( 0.000 -5.261 -11.175) 12.352 11.915 ( 0.000 -5.261 11.175) 12.352 12.076 ( 0.000 2.648 -1.722) 3.159 12.076 ( 0.000 2.648 1.722) 3.159 12.085 ( 0.000 3.172 -10.063) 10.551 12.085 ( 0.000 3.172 10.063) 10.551 12.226 ( 0.000 0.071 -3.175) 3.176 12.226 ( 0.000 0.071 3.175) 3.176 12.486 ( 0.000 2.289 -7.021) 7.385 12.486 ( 0.000 2.289 7.021) 7.385 12.552 ( 0.000 -0.742 -10.223) 10.250 12.552 ( 0.000 -0.742 10.223) 10.250 12.618 ( 0.000 -1.994 -4.627) 5.038 12.618 ( 0.000 -1.994 4.627) 5.038 12.909 ( 0.000 -0.578 -4.210) 4.249 12.909 ( 0.000 -0.578 4.210) 4.249 13.162 ( 0.000 1.297 -8.831) 8.926 13.162 ( 0.000 1.297 8.831) 8.926 13.222 ( 0.000 1.932 -19.965) 20.058 13.222 ( 0.000 1.932 19.965) 20.058 13.321 ( 0.000 -0.205 -4.745) 4.749 13.321 ( 0.000 -0.205 4.745) 4.749 13.601 ( 0.000 -3.111 -13.238) 13.599 13.601 ( 0.000 -3.111 13.238) 13.599 13.666 ( 0.000 4.463 -9.472) 10.471 13.666 ( 0.000 4.463 9.472) 10.471 14.224 ( 0.000 -0.762 -5.134) 5.191 14.224 ( 0.000 -0.762 5.134) 5.191 14.722 ( 0.000 1.133 -21.166) 21.197 14.722 ( 0.000 1.133 21.166) 21.197 14.872 ( 0.000 -1.354 -8.538) 8.645 14.872 ( 0.000 -1.354 8.538) 8.645 15.203 ( 0.000 -0.176 -14.271) 14.272 15.203 ( 0.000 -0.176 14.271) 14.272 15.272 ( 0.000 1.096 -10.858) 10.914 15.272 ( 0.000 1.096 10.858) 10.914 15.949 ( 0.000 1.197 -14.156) 14.207 15.949 ( 0.000 1.197 14.156) 14.207 15.962 ( 0.000 3.256 -3.604) 4.857 15.962 ( 0.000 3.256 3.604) 4.857 16.026 ( 0.000 3.867 -11.962) 12.571 16.026 ( 0.000 3.867 11.962) 12.571 17.128 ( 0.000 -0.023 -1.628) 1.628 17.128 ( 0.000 -0.023 1.628) 1.628 17.243 ( 0.000 -1.916 -17.815) 17.917 17.243 ( 0.000 -1.916 17.815) 17.917 17.630 ( 0.000 1.016 -6.605) 6.683 17.630 ( 0.000 1.016 6.605) 6.683 17.911 ( 0.000 1.146 -6.298) 6.402 17.911 ( 0.000 1.146 6.298) 6.402 17.973 ( 0.000 -1.653 -19.933) 20.001 17.973 ( 0.000 -1.653 19.933) 20.001 18.264 ( 0.000 -0.402 -6.041) 6.054 18.264 ( 0.000 -0.402 6.041) 6.054 18.379 ( 0.000 -0.247 -5.482) 5.488 18.379 ( 0.000 -0.247 5.482) 5.488 18.497 ( 0.000 0.797 -2.490) 2.615 18.497 ( 0.000 0.797 2.490) 2.615 18.573 ( 0.000 1.581 -5.265) 5.497 18.573 ( 0.000 1.581 5.265) 5.497 18.951 ( 0.000 -0.115 -6.400) 6.401 18.951 ( 0.000 -0.115 6.400) 6.401 19.012 ( 0.000 -0.007 -3.410) 3.410 19.012 ( 0.000 -0.007 3.410) 3.410 19.537 ( 0.000 1.103 -3.377) 3.552 19.537 ( 0.000 1.103 3.377) 3.552 19.671 ( 0.000 0.919 -4.181) 4.281 19.671 ( 0.000 0.919 4.181) 4.281 20.288 ( 0.000 0.335 -5.823) 5.833 20.288 ( 0.000 0.335 5.823) 5.833 20.643 ( 0.000 -0.272 -9.265) 9.269 20.643 ( 0.000 -0.272 9.265) 9.269 20.854 ( 0.000 0.005 -10.079) 10.079 20.854 ( 0.000 0.005 10.079) 10.079 21.016 ( 0.000 -1.870 -1.856) 2.634 21.016 ( 0.000 -1.870 1.856) 2.634 21.190 ( 0.000 -1.238 -2.870) 3.126 21.190 ( 0.000 -1.238 2.870) 3.126 21.455 ( 0.000 0.236 -5.888) 5.893 21.455 ( 0.000 0.236 5.888) 5.893 21.511 ( 0.000 -2.455 -15.974) 16.161 21.511 ( 0.000 -2.455 15.974) 16.161 22.348 ( 0.000 -8.114 -14.135) 16.298 22.348 ( 0.000 -8.114 14.135) 16.298 22.696 ( 0.000 0.906 -0.161) 0.920 22.696 ( 0.000 0.906 0.161) 0.920 23.086 ( 0.000 -1.252 -13.587) 13.645 23.086 ( 0.000 -1.252 13.587) 13.645 23.114 ( 0.000 -2.478 -13.792) 14.013 23.114 ( 0.000 -2.478 13.792) 14.013 23.184 ( 0.000 0.467 -7.469) 7.484 23.184 ( 0.000 0.467 7.469) 7.484 23.868 ( 0.000 0.754 -2.317) 2.437 23.868 ( 0.000 0.754 2.317) 2.437 23.912 ( 0.000 -0.428 -0.666) 0.791 23.912 ( 0.000 -0.428 0.666) 0.791 24.372 ( 0.000 -4.222 -13.373) 14.024 24.372 ( 0.000 -4.222 13.373) 14.024 24.518 ( 0.000 -0.028 -5.720) 5.720 24.518 ( 0.000 -0.028 5.720) 5.720 24.950 ( 0.000 -7.004 -11.976) 13.874 24.950 ( 0.000 -7.004 11.976) 13.874 25.008 ( 0.000 -0.091 -0.205) 0.224 25.008 ( 0.000 -0.091 0.205) 0.224 25.535 ( 0.000 -5.775 -3.353) 6.678 25.535 ( 0.000 -5.775 3.353) 6.678 25.720 ( 0.000 0.117 -23.338) 23.338 25.720 ( 0.000 0.117 23.338) 23.338 25.746 ( 0.000 -9.356 -3.620) 10.033 25.746 ( 0.000 -9.356 3.620) 10.033 26.077 ( 0.000 -8.331 -9.447) 12.596 26.077 ( 0.000 -8.331 9.447) 12.596 26.873 ( 0.000 0.007 -1.437) 1.437 26.873 ( 0.000 0.007 1.437) 1.437 27.205 ( 0.000 -0.399 -21.670) 21.674 27.205 ( 0.000 -0.399 21.670) 21.674 28.124 ( 0.000 -0.349 -11.160) 11.166 28.124 ( 0.000 -0.349 11.160) 11.166 28.820 ( 0.000 -3.288 -3.338) 4.685 28.820 ( 0.000 -3.288 3.338) 4.685 28.821 ( 0.000 -15.714 -11.787) 19.643 28.821 ( 0.000 -15.714 11.787) 19.643 28.925 ( 0.000 -3.913 -10.661) 11.356 28.925 ( 0.000 -3.913 10.661) 11.356 29.277 ( 0.000 -3.869 -3.424) 5.167 29.277 ( 0.000 -3.869 3.424) 5.167 29.591 ( 0.000 -0.238 -17.329) 17.331 29.591 ( 0.000 -0.238 17.329) 17.331 29.736 ( 0.000 -7.868 -12.286) 14.589 29.736 ( 0.000 -7.868 12.286) 14.589 30.446 ( 0.000 -5.404 -10.737) 12.020 30.446 ( 0.000 -5.404 10.737) 12.020 30.907 ( 0.000 -0.834 -5.295) 5.360 30.907 ( 0.000 -0.834 5.295) 5.360 31.041 ( 0.000 -6.426 -4.952) 8.113 31.041 ( 0.000 -6.426 4.952) 8.113 31.240 ( 0.000 1.319 -6.639) 6.769 31.240 ( 0.000 1.319 6.639) 6.769 31.333 ( 0.000 -4.621 -3.280) 5.667 31.333 ( 0.000 -4.621 3.280) 5.667 31.840 ( 0.000 -4.676 -10.554) 11.544 31.840 ( 0.000 -4.676 10.554) 11.544 31.974 ( 0.000 -17.531 -1.248) 17.575 31.974 ( 0.000 -17.531 1.248) 17.575 32.300 ( 0.000 -21.666 -12.886) 25.209 32.300 ( 0.000 -21.666 12.886) 25.209 32.625 ( 0.000 -12.351 -11.444) 16.838 32.625 ( 0.000 -12.351 11.444) 16.838 32.933 ( 0.000 16.864 -12.297) 20.871 32.933 ( 0.000 16.864 12.297) 20.871 33.398 ( 0.000 0.078 -11.853) 11.854 33.398 ( 0.000 0.078 11.853) 11.854 33.515 ( 0.000 -3.304 -7.347) 8.056 33.515 ( 0.000 -3.304 7.347) 8.056 34.174 ( 0.000 10.126 -10.888) 14.869 34.174 ( 0.000 10.126 10.888) 14.869 35.854 ( 0.000 55.870 -52.324) 76.546 35.854 ( 0.000 55.870 52.324) 76.546 ======================= Grid point 122 (41/54) ======================= q-point: ( 0.25 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 11.299 9.042 -23.211) 27.353 1.693 ( 11.299 9.042 23.211) 27.353 1.869 ( 14.920 9.989 -22.926) 29.120 1.869 ( 14.920 9.989 22.926) 29.120 2.358 ( -9.055 1.188 -6.032) 10.945 2.358 ( -9.055 1.188 6.032) 10.945 2.581 ( 1.992 -0.741 -5.682) 6.066 2.581 ( 1.992 -0.741 5.682) 6.066 2.815 ( -2.847 -0.909 -14.745) 15.045 2.815 ( -2.847 -0.909 14.745) 15.045 2.887 ( 2.420 5.171 -8.824) 10.510 2.887 ( 2.420 5.171 8.824) 10.510 3.076 ( 5.804 0.597 -4.838) 7.579 3.076 ( 5.804 0.597 4.838) 7.579 3.270 ( -1.542 0.979 -4.265) 4.640 3.270 ( -1.542 0.979 4.265) 4.640 3.306 ( 0.866 -0.404 -1.495) 1.774 3.306 ( 0.866 -0.404 1.495) 1.774 3.412 ( 1.941 1.911 -3.785) 4.664 3.412 ( 1.941 1.911 3.785) 4.664 3.472 ( 0.357 -1.542 -1.565) 2.226 3.472 ( 0.357 -1.542 1.565) 2.226 3.756 ( -0.506 3.292 -5.162) 6.143 3.756 ( -0.506 3.292 5.162) 6.143 4.097 ( -14.688 2.177 -4.124) 15.410 4.097 ( -14.688 2.177 4.124) 15.410 4.302 ( -2.042 -1.285 -2.156) 3.236 4.302 ( -2.042 -1.285 2.156) 3.236 4.612 ( -1.343 -4.021 -2.517) 4.930 4.612 ( -1.343 -4.021 2.517) 4.930 4.916 ( -8.286 -3.590 -0.917) 9.076 4.916 ( -8.286 -3.590 0.917) 9.076 5.228 ( 14.884 -1.166 -2.235) 15.096 5.228 ( 14.884 -1.166 2.235) 15.096 5.721 ( -5.686 -1.059 -4.238) 7.170 5.721 ( -5.686 -1.059 4.238) 7.170 6.316 ( 12.821 0.289 -2.660) 13.097 6.316 ( 12.821 0.289 2.660) 13.097 6.776 ( -1.517 -4.391 -10.005) 11.031 6.776 ( -1.517 -4.391 10.005) 11.031 6.860 ( 2.718 -1.726 -2.405) 4.019 6.860 ( 2.718 -1.726 2.405) 4.019 7.046 ( -11.919 -2.781 -6.866) 14.034 7.046 ( -11.919 -2.781 6.866) 14.034 7.207 ( 4.446 0.272 -16.684) 17.268 7.207 ( 4.446 0.272 16.684) 17.268 7.415 ( 4.280 0.561 -4.162) 5.996 7.415 ( 4.280 0.561 4.162) 5.996 7.529 ( -2.353 2.889 -15.348) 15.794 7.529 ( -2.353 2.889 15.348) 15.794 7.963 ( 0.592 3.464 -6.277) 7.194 7.963 ( 0.592 3.464 6.277) 7.194 8.125 ( 10.977 0.084 -7.898) 13.523 8.125 ( 10.977 0.084 7.898) 13.523 8.338 ( -9.265 -0.693 -7.256) 11.788 8.338 ( -9.265 -0.693 7.256) 11.788 8.490 ( -5.139 3.317 -5.941) 8.526 8.490 ( -5.139 3.317 5.941) 8.526 8.806 ( 2.532 1.170 -8.794) 9.225 8.806 ( 2.532 1.170 8.794) 9.225 8.917 ( -0.517 0.220 -3.983) 4.022 8.917 ( -0.517 0.220 3.983) 4.022 9.114 ( -3.192 1.252 -6.502) 7.350 9.114 ( -3.192 1.252 6.502) 7.350 9.621 ( 6.823 -0.173 -3.886) 7.854 9.621 ( 6.823 -0.173 3.886) 7.854 10.045 ( -13.231 1.810 -5.088) 14.291 10.045 ( -13.231 1.810 5.088) 14.291 10.091 ( 11.010 -0.562 -7.852) 13.534 10.091 ( 11.010 -0.562 7.852) 13.534 10.413 ( -12.116 -3.745 -6.541) 14.269 10.413 ( -12.116 -3.745 6.541) 14.269 10.811 ( -1.734 -2.394 -10.626) 11.030 10.811 ( -1.734 -2.394 10.626) 11.030 10.883 ( -1.278 -2.396 -6.529) 7.071 10.883 ( -1.278 -2.396 6.529) 7.071 11.097 ( -1.062 -1.858 -9.243) 9.487 11.097 ( -1.062 -1.858 9.243) 9.487 11.416 ( -0.926 -1.949 -0.654) 2.255 11.416 ( -0.926 -1.949 0.654) 2.255 11.687 ( 1.024 -4.331 -5.619) 7.168 11.687 ( 1.024 -4.331 5.619) 7.168 11.785 ( -9.518 -0.692 -7.281) 12.004 11.785 ( -9.518 -0.692 7.281) 12.004 12.111 ( 4.042 -0.502 -0.439) 4.096 12.111 ( 4.042 -0.502 0.439) 4.096 12.178 ( 5.028 1.242 -6.035) 7.953 12.178 ( 5.028 1.242 6.035) 7.953 12.309 ( 3.733 3.818 -2.555) 5.920 12.309 ( 3.733 3.818 2.555) 5.920 12.356 ( 1.285 1.433 -3.471) 3.969 12.356 ( 1.285 1.433 3.471) 3.969 12.577 ( 2.885 -0.996 -7.012) 7.647 12.577 ( 2.885 -0.996 7.012) 7.647 12.730 ( 0.207 -3.332 -3.716) 4.995 12.730 ( 0.207 -3.332 3.716) 4.995 12.875 ( -5.932 1.580 -6.163) 8.698 12.875 ( -5.932 1.580 6.163) 8.698 13.028 ( -3.461 2.010 -17.047) 17.511 13.028 ( -3.461 2.010 17.047) 17.511 13.248 ( 6.368 -0.181 -5.533) 8.438 13.248 ( 6.368 -0.181 5.533) 8.438 13.467 ( -0.628 -3.120 -1.401) 3.477 13.467 ( -0.628 -3.120 1.401) 3.477 13.599 ( 4.521 3.092 -8.768) 10.338 13.599 ( 4.521 3.092 8.768) 10.338 13.878 ( 11.665 1.753 -6.491) 13.464 13.878 ( 11.665 1.753 6.491) 13.464 14.300 ( 10.840 -1.179 -6.130) 12.509 14.300 ( 10.840 -1.179 6.130) 12.509 14.630 ( -7.909 0.337 -13.478) 15.631 14.630 ( -7.909 0.337 13.478) 15.631 14.885 ( 0.221 -0.780 -4.198) 4.276 14.885 ( 0.221 -0.780 4.198) 4.276 15.190 ( -1.917 0.238 -7.158) 7.414 15.190 ( -1.917 0.238 7.158) 7.414 15.246 ( -1.598 1.584 -6.777) 7.141 15.246 ( -1.598 1.584 6.777) 7.141 15.744 ( -5.028 3.446 -10.439) 12.088 15.744 ( -5.028 3.446 10.439) 12.088 15.943 ( -1.482 2.179 -0.359) 2.659 15.943 ( -1.482 2.179 0.359) 2.659 16.224 ( 3.924 1.855 -10.111) 11.003 16.224 ( 3.924 1.855 10.111) 11.003 16.787 ( -15.884 0.063 -1.656) 15.970 16.787 ( -15.884 0.063 1.656) 15.970 17.162 ( -12.012 -0.926 -16.201) 20.190 17.162 ( -12.012 -0.926 16.201) 20.190 17.828 ( 10.896 -0.327 -5.738) 12.319 17.828 ( 10.896 -0.327 5.738) 12.319 17.882 ( 1.249 -0.396 -10.360) 10.443 17.882 ( 1.249 -0.396 10.360) 10.443 18.032 ( 2.169 0.025 -9.508) 9.752 18.032 ( 2.169 0.025 9.508) 9.752 18.278 ( -5.942 -0.986 -2.535) 6.535 18.278 ( -5.942 -0.986 2.535) 6.535 18.363 ( 5.663 0.238 -3.436) 6.628 18.363 ( 5.663 0.238 3.436) 6.628 18.500 ( -1.336 1.279 -5.082) 5.408 18.500 ( -1.336 1.279 5.082) 5.408 18.634 ( 4.972 1.351 -3.201) 6.066 18.634 ( 4.972 1.351 3.201) 6.066 18.969 ( 2.045 -0.602 -6.267) 6.620 18.969 ( 2.045 -0.602 6.267) 6.620 19.037 ( 1.566 0.537 -4.437) 4.735 19.037 ( 1.566 0.537 4.437) 4.735 19.646 ( 10.005 0.489 -3.856) 10.734 19.646 ( 10.005 0.489 3.856) 10.734 19.856 ( 17.497 0.705 -8.678) 19.544 19.856 ( 17.497 0.705 8.678) 19.544 20.205 ( -8.266 0.252 -3.164) 8.854 20.205 ( -8.266 0.252 3.164) 8.854 20.670 ( -0.074 -0.863 -10.324) 10.361 20.670 ( -0.074 -0.863 10.324) 10.361 20.732 ( -9.275 -0.284 -5.219) 10.646 20.732 ( -9.275 -0.284 5.219) 10.646 20.973 ( -8.163 -0.127 -0.320) 8.170 20.973 ( -8.163 -0.127 0.320) 8.170 21.134 ( 0.229 -1.418 -5.591) 5.773 21.134 ( 0.229 -1.418 5.591) 5.773 21.325 ( 0.515 -0.792 -3.579) 3.701 21.325 ( 0.515 -0.792 3.579) 3.701 21.628 ( -6.911 -3.412 -1.496) 7.852 21.628 ( -6.911 -3.412 1.496) 7.852 22.262 ( 3.590 -1.580 -1.853) 4.338 22.262 ( 3.590 -1.580 1.853) 4.338 22.768 ( -4.823 -3.363 -8.048) 9.967 22.768 ( -4.823 -3.363 8.048) 9.967 22.888 ( -7.184 -0.402 -9.522) 11.935 22.888 ( -7.184 -0.402 9.522) 11.935 23.144 ( 4.055 -0.553 -8.989) 9.877 23.144 ( 4.055 -0.553 8.989) 9.877 23.340 ( 8.440 -0.860 -3.104) 9.033 23.340 ( 8.440 -0.860 3.104) 9.033 23.790 ( -5.778 0.959 -2.977) 6.570 23.790 ( -5.778 0.959 2.977) 6.570 23.937 ( 1.034 -0.947 -0.725) 1.578 23.937 ( 1.034 -0.947 0.725) 1.578 24.207 ( -9.226 -3.382 -11.834) 15.382 24.207 ( -9.226 -3.382 11.834) 15.382 24.480 ( -15.838 -2.442 -2.855) 16.278 24.480 ( -15.838 -2.442 2.855) 16.278 24.680 ( 6.695 0.694 -5.645) 8.785 24.680 ( 6.695 0.694 5.645) 8.785 25.146 ( -5.383 1.087 -13.957) 14.999 25.146 ( -5.383 1.087 13.957) 14.999 25.373 ( -2.375 -1.448 -9.904) 10.287 25.373 ( -2.375 -1.448 9.904) 10.287 25.855 ( 1.471 -0.024 -2.609) 2.995 25.855 ( 1.471 -0.024 2.609) 2.995 26.151 ( 27.241 -2.167 -14.241) 30.815 26.151 ( 27.241 -2.167 14.241) 30.815 26.477 ( 33.886 -18.871 -10.009) 40.057 26.477 ( 33.886 -18.871 10.009) 40.057 26.885 ( 1.833 -0.614 -1.515) 2.456 26.885 ( 1.833 -0.614 1.515) 2.456 27.123 ( -7.375 -0.526 -21.846) 23.063 27.123 ( -7.375 -0.526 21.846) 23.063 28.161 ( -2.976 -3.623 -11.916) 12.806 28.161 ( -2.976 -3.623 11.916) 12.806 28.460 ( -17.100 -11.675 -12.005) 23.933 28.460 ( -17.100 -11.675 12.005) 23.933 28.728 ( -9.338 -1.362 -2.833) 9.853 28.728 ( -9.338 -1.362 2.833) 9.853 29.117 ( 10.794 -12.611 -6.792) 17.936 29.117 ( 10.794 -12.611 6.792) 17.936 29.305 ( 3.363 -2.026 -1.285) 4.131 29.305 ( 3.363 -2.026 1.285) 4.131 29.478 ( -3.224 -2.841 -5.395) 6.898 29.478 ( -3.224 -2.841 5.395) 6.898 29.988 ( 9.084 -6.750 -0.825) 11.347 29.988 ( 9.084 -6.750 0.825) 11.347 30.388 ( -1.696 -4.057 -7.305) 8.526 30.388 ( -1.696 -4.057 7.305) 8.526 30.825 ( -6.494 -1.034 -3.069) 7.257 30.825 ( -6.494 -1.034 3.069) 7.257 30.992 ( -3.366 -2.262 -3.460) 5.331 30.992 ( -3.366 -2.262 3.460) 5.331 31.269 ( 3.378 -4.369 -3.365) 6.467 31.269 ( 3.378 -4.369 3.365) 6.467 31.471 ( 9.346 -5.106 -6.599) 12.528 31.471 ( 9.346 -5.106 6.599) 12.528 31.841 ( -0.653 -6.388 -11.640) 13.294 31.841 ( -0.653 -6.388 11.640) 13.294 32.002 ( 2.554 -16.116 -0.728) 16.334 32.002 ( 2.554 -16.116 0.728) 16.334 32.248 ( -4.348 -18.387 -11.647) 22.196 32.248 ( -4.348 -18.387 11.647) 22.196 32.590 ( -3.154 -11.326 -9.321) 15.003 32.590 ( -3.154 -11.326 9.321) 15.003 32.874 ( -3.201 4.910 -7.657) 9.643 32.874 ( -3.201 4.910 7.657) 9.643 33.453 ( 2.267 -0.080 -12.188) 12.397 33.453 ( 2.267 -0.080 12.188) 12.397 33.554 ( 3.350 0.929 -3.697) 5.074 33.554 ( 3.350 0.929 3.697) 5.074 34.300 ( 12.644 20.142 -13.869) 27.531 34.300 ( 12.644 20.142 13.869) 27.531 35.581 ( -23.382 49.459 -38.199) 66.724 35.581 ( -23.382 49.459 38.199) 66.724 ======================= Grid point 124 (42/54) ======================= q-point: (-0.50 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 1.694 -12.031) 12.149 1.893 ( 0.000 1.694 12.031) 12.149 2.075 ( 0.000 5.689 -0.977) 5.772 2.075 ( 0.000 5.689 0.977) 5.772 2.291 ( 0.000 1.941 -8.260) 8.485 2.291 ( 0.000 1.941 8.260) 8.485 2.409 ( 0.000 9.614 -11.783) 15.207 2.409 ( -0.000 9.614 11.783) 15.207 2.757 ( 0.000 -1.363 -5.771) 5.929 2.757 ( 0.000 -1.363 5.771) 5.929 3.023 ( -0.000 2.393 -0.449) 2.434 3.023 ( -0.000 2.393 0.449) 2.434 3.172 ( 0.000 1.484 -0.628) 1.612 3.172 ( 0.000 1.484 0.628) 1.612 3.277 ( -0.000 -1.231 -4.280) 4.454 3.277 ( 0.000 -1.231 4.280) 4.454 3.300 ( 0.000 0.417 -2.225) 2.264 3.300 ( 0.000 0.417 2.225) 2.264 3.369 ( 0.000 1.720 -1.544) 2.312 3.369 ( -0.000 1.720 1.544) 2.312 3.569 ( 0.000 1.594 -9.058) 9.197 3.569 ( -0.000 1.594 9.058) 9.197 3.706 ( -0.000 0.159 -8.389) 8.390 3.706 ( 0.000 0.159 8.389) 8.390 3.883 ( 0.000 5.108 -4.731) 6.962 3.883 ( 0.000 5.108 4.731) 6.962 4.283 ( 0.000 -2.025 -2.089) 2.909 4.283 ( 0.000 -2.025 2.089) 2.909 4.645 ( 0.000 -4.351 -1.005) 4.466 4.645 ( -0.000 -4.351 1.005) 4.466 4.791 ( 0.000 -3.264 -0.507) 3.303 4.791 ( -0.000 -3.264 0.507) 3.303 5.398 ( 0.000 -2.202 -3.006) 3.726 5.398 ( 0.000 -2.202 3.006) 3.726 5.642 ( 0.000 -0.336 -1.460) 1.498 5.642 ( 0.000 -0.336 1.460) 1.498 6.525 ( 0.000 -4.079 -0.108) 4.081 6.525 ( -0.000 -4.079 0.108) 4.081 6.747 ( 0.000 -0.744 -7.178) 7.216 6.747 ( 0.000 -0.744 7.178) 7.216 6.762 ( -0.000 -1.648 -3.926) 4.258 6.762 ( -0.000 -1.648 3.926) 4.258 6.951 ( -0.000 2.832 -4.491) 5.310 6.951 ( 0.000 2.832 4.491) 5.310 7.322 ( -0.000 1.731 -21.365) 21.435 7.322 ( -0.000 1.731 21.365) 21.435 7.409 ( 0.000 0.211 -5.897) 5.901 7.409 ( 0.000 0.211 5.897) 5.901 7.620 ( -0.000 0.656 -0.812) 1.044 7.620 ( -0.000 0.656 0.812) 1.044 7.959 ( 0.000 -2.390 -0.067) 2.391 7.959 ( 0.000 -2.390 0.067) 2.391 8.116 ( 0.000 3.646 -3.107) 4.790 8.116 ( 0.000 3.646 3.107) 4.790 8.269 ( 0.000 0.292 -2.327) 2.345 8.269 ( -0.000 0.292 2.327) 2.345 8.471 ( 0.000 0.600 -4.124) 4.167 8.471 ( -0.000 0.600 4.124) 4.167 8.676 ( 0.000 4.570 -0.090) 4.571 8.676 ( 0.000 4.570 0.090) 4.571 9.061 ( -0.000 -1.172 -11.517) 11.577 9.061 ( 0.000 -1.172 11.517) 11.577 9.155 ( 0.000 -1.595 -13.612) 13.705 9.155 ( 0.000 -1.595 13.612) 13.705 9.723 ( 0.000 1.753 -6.630) 6.858 9.723 ( -0.000 1.753 6.630) 6.858 9.798 ( -0.000 -0.338 -7.100) 7.108 9.798 ( 0.000 -0.338 7.100) 7.108 10.113 ( 0.000 -5.504 -5.631) 7.874 10.113 ( 0.000 -5.504 5.631) 7.874 10.301 ( 0.000 -1.279 -1.723) 2.146 10.301 ( 0.000 -1.279 1.723) 2.146 10.816 ( 0.000 -0.677 -1.451) 1.601 10.816 ( 0.000 -0.677 1.451) 1.601 10.886 ( -0.000 -2.306 -2.700) 3.551 10.886 ( 0.000 -2.306 2.700) 3.551 11.158 ( 0.000 -4.730 -1.669) 5.016 11.158 ( -0.000 -4.730 1.669) 5.016 11.394 ( 0.000 -2.032 -1.728) 2.667 11.394 ( -0.000 -2.032 1.728) 2.667 11.574 ( 0.000 0.523 -2.450) 2.505 11.574 ( -0.000 0.523 2.450) 2.505 11.753 ( 0.000 -0.973 -2.851) 3.012 11.753 ( 0.000 -0.973 2.851) 3.012 12.116 ( 0.000 -1.886 -2.349) 3.012 12.116 ( 0.000 -1.886 2.349) 3.012 12.213 ( 0.000 2.630 -2.413) 3.570 12.213 ( 0.000 2.630 2.413) 3.570 12.402 ( 0.000 0.705 -2.682) 2.773 12.402 ( -0.000 0.705 2.682) 2.773 12.457 ( 0.000 1.459 -0.583) 1.571 12.457 ( -0.000 1.459 0.583) 1.571 12.611 ( 0.000 1.995 -4.078) 4.539 12.611 ( 0.000 1.995 4.078) 4.539 12.674 ( 0.000 -2.309 -2.954) 3.749 12.674 ( 0.000 -2.309 2.954) 3.749 12.806 ( 0.000 0.326 -1.371) 1.409 12.806 ( 0.000 0.326 1.371) 1.409 12.992 ( 0.000 2.668 -3.772) 4.620 12.992 ( 0.000 2.668 3.772) 4.620 13.347 ( 0.000 -4.206 -5.428) 6.867 13.347 ( 0.000 -4.206 5.428) 6.867 13.420 ( 0.000 -1.802 -2.226) 2.864 13.420 ( -0.000 -1.802 2.226) 2.864 13.664 ( 0.000 4.794 -2.925) 5.616 13.664 ( 0.000 4.794 2.925) 5.616 13.967 ( 0.000 1.981 -2.769) 3.405 13.967 ( 0.000 1.981 2.769) 3.405 14.477 ( 0.000 -1.923 -1.147) 2.239 14.477 ( 0.000 -1.923 1.147) 2.239 14.544 ( -0.000 0.450 -3.419) 3.448 14.544 ( 0.000 0.450 3.419) 3.448 14.876 ( 0.000 -1.128 -0.888) 1.436 14.876 ( 0.000 -1.128 0.888) 1.436 15.147 ( 0.000 -0.004 -0.756) 0.756 15.147 ( 0.000 -0.004 0.756) 0.756 15.245 ( -0.000 3.874 -4.093) 5.636 15.245 ( 0.000 3.874 4.093) 5.636 15.713 ( 0.000 2.651 -7.077) 7.557 15.713 ( 0.000 2.651 7.077) 7.557 15.980 ( 0.000 1.322 -1.489) 1.991 15.980 ( 0.000 1.322 1.489) 1.991 16.158 ( -0.000 0.975 -3.348) 3.487 16.158 ( 0.000 0.975 3.348) 3.487 16.644 ( 0.000 0.130 -1.586) 1.591 16.644 ( 0.000 0.130 1.586) 1.591 17.014 ( 0.000 0.016 -1.309) 1.309 17.014 ( 0.000 0.016 1.309) 1.309 17.917 ( 0.000 -1.228 -4.817) 4.971 17.917 ( 0.000 -1.228 4.817) 4.971 17.977 ( -0.000 -1.779 -6.500) 6.739 17.977 ( 0.000 -1.779 6.500) 6.739 18.051 ( 0.000 0.372 -4.142) 4.159 18.051 ( -0.000 0.372 4.142) 4.159 18.125 ( -0.000 0.420 -4.454) 4.474 18.125 ( -0.000 0.420 4.454) 4.474 18.455 ( 0.000 0.522 -1.501) 1.590 18.455 ( -0.000 0.522 1.501) 1.590 18.481 ( 0.000 1.629 -4.593) 4.873 18.481 ( 0.000 1.629 4.593) 4.873 18.697 ( 0.000 0.956 -1.907) 2.133 18.697 ( 0.000 0.956 1.907) 2.133 19.003 ( 0.000 -1.230 -4.175) 4.352 19.003 ( 0.000 -1.230 4.175) 4.352 19.048 ( 0.000 1.243 -0.406) 1.308 19.048 ( 0.000 1.243 0.406) 1.308 19.837 ( -0.000 -0.606 -0.342) 0.696 19.837 ( 0.000 -0.606 0.342) 0.696 19.990 ( 0.000 0.576 -0.361) 0.680 19.990 ( 0.000 0.576 0.361) 0.680 20.241 ( -0.000 0.301 -2.228) 2.249 20.241 ( 0.000 0.301 2.228) 2.249 20.461 ( 0.000 0.001 -2.742) 2.742 20.461 ( -0.000 0.001 2.742) 2.742 20.656 ( 0.000 -0.606 -0.411) 0.732 20.656 ( 0.000 -0.606 0.411) 0.732 20.921 ( -0.000 -1.493 -1.868) 2.391 20.921 ( -0.000 -1.493 1.868) 2.391 21.205 ( 0.000 -0.098 -1.964) 1.966 21.205 ( 0.000 -0.098 1.964) 1.966 21.365 ( -0.000 -1.358 -4.371) 4.577 21.365 ( -0.000 -1.358 4.371) 4.577 21.414 ( -0.000 -1.771 -4.434) 4.775 21.414 ( 0.000 -1.771 4.434) 4.775 22.415 ( -0.000 -2.232 -3.556) 4.199 22.415 ( -0.000 -2.232 3.556) 4.199 22.574 ( 0.000 -0.095 -3.085) 3.087 22.574 ( 0.000 -0.095 3.085) 3.087 22.859 ( 0.000 -1.990 -0.501) 2.052 22.859 ( 0.000 -1.990 0.501) 2.052 23.218 ( 0.000 -0.136 -0.234) 0.271 23.218 ( 0.000 -0.136 0.234) 0.271 23.436 ( -0.000 -1.583 -1.118) 1.938 23.436 ( -0.000 -1.583 1.118) 1.938 23.706 ( 0.000 0.938 -1.341) 1.636 23.706 ( 0.000 0.938 1.341) 1.636 23.947 ( 0.000 -1.395 -0.971) 1.700 23.947 ( 0.000 -1.395 0.971) 1.700 24.106 ( 0.000 -2.193 -2.001) 2.968 24.106 ( 0.000 -2.193 2.001) 2.968 24.326 ( 0.000 -0.713 -0.777) 1.054 24.326 ( 0.000 -0.713 0.777) 1.054 24.764 ( -0.000 0.872 -0.512) 1.011 24.764 ( -0.000 0.872 0.512) 1.011 25.053 ( 0.000 1.370 -0.050) 1.371 25.053 ( 0.000 1.370 0.050) 1.371 25.375 ( 0.000 -1.059 -0.730) 1.286 25.375 ( 0.000 -1.059 0.730) 1.286 25.857 ( 0.000 0.137 -0.742) 0.754 25.857 ( 0.000 0.137 0.742) 0.754 26.525 ( 0.000 -0.268 -0.901) 0.940 26.525 ( 0.000 -0.268 0.901) 0.940 26.746 ( 0.000 -3.570 -10.633) 11.216 26.746 ( 0.000 -3.570 10.633) 11.216 26.960 ( 0.000 -5.406 -10.835) 12.109 26.960 ( 0.000 -5.406 10.835) 12.109 27.122 ( 0.000 -4.555 -1.788) 4.894 27.122 ( 0.000 -4.555 1.788) 4.894 27.897 ( 0.000 -18.150 -4.332) 18.660 27.897 ( 0.000 -18.150 4.332) 18.660 28.431 ( 0.000 -3.396 -4.705) 5.802 28.431 ( 0.000 -3.396 4.705) 5.802 28.598 ( -0.000 -0.315 -3.663) 3.676 28.598 ( 0.000 -0.315 3.663) 3.676 29.216 ( 0.000 -13.742 -0.698) 13.760 29.216 ( 0.000 -13.742 0.698) 13.760 29.385 ( 0.000 -4.957 -1.723) 5.248 29.385 ( 0.000 -4.957 1.723) 5.248 29.463 ( -0.000 -5.253 -2.318) 5.742 29.463 ( 0.000 -5.253 2.318) 5.742 29.989 ( -0.000 -4.626 -0.904) 4.714 29.989 ( -0.000 -4.626 0.904) 4.714 30.435 ( 0.000 -3.550 -2.346) 4.255 30.435 ( 0.000 -3.550 2.346) 4.255 30.751 ( 0.000 0.089 -0.160) 0.184 30.751 ( 0.000 0.089 0.160) 0.184 30.941 ( 0.000 -0.451 -0.042) 0.453 30.941 ( 0.000 -0.451 0.042) 0.453 31.314 ( 0.000 -8.479 -4.267) 9.492 31.314 ( 0.000 -8.479 4.267) 9.492 31.592 ( -0.000 -6.302 -1.536) 6.486 31.592 ( 0.000 -6.302 1.536) 6.486 31.818 ( 0.000 -5.683 -10.853) 12.251 31.818 ( -0.000 -5.683 10.853) 12.251 32.038 ( 0.000 -16.215 -0.863) 16.238 32.038 ( 0.000 -16.215 0.863) 16.238 32.192 ( 0.000 -15.992 -10.480) 19.120 32.192 ( 0.000 -15.992 10.480) 19.120 32.546 ( 0.000 -10.916 -2.230) 11.142 32.546 ( 0.000 -10.916 2.230) 11.142 32.845 ( 0.000 -2.451 -4.857) 5.441 32.845 ( 0.000 -2.451 4.857) 5.441 33.471 ( 0.000 -0.917 -11.463) 11.500 33.471 ( 0.000 -0.917 11.463) 11.500 33.590 ( 0.000 2.082 -2.034) 2.911 33.590 ( 0.000 2.082 2.034) 2.911 34.522 ( -0.000 37.358 -20.995) 42.854 34.522 ( 0.000 37.358 20.995) 42.854 35.235 ( 0.000 35.942 -16.159) 39.408 35.235 ( -0.000 35.942 16.159) 39.408 ======================= Grid point 130 (43/54) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.000 11.820 -22.965) 25.829 1.914 ( 0.000 11.820 22.965) 25.829 1.986 ( 0.000 20.639 -17.646) 27.154 1.986 ( 0.000 20.639 17.646) 27.154 2.429 ( 0.000 3.355 -11.007) 11.507 2.429 ( 0.000 3.355 11.007) 11.507 2.624 ( 0.000 3.792 -7.758) 8.635 2.624 ( 0.000 3.792 7.758) 8.635 2.752 ( 0.000 1.183 -28.481) 28.505 2.752 ( 0.000 1.183 28.481) 28.505 2.905 ( 0.000 0.976 -4.244) 4.355 2.905 ( 0.000 0.976 4.244) 4.355 3.162 ( 0.000 -1.994 -4.136) 4.592 3.162 ( 0.000 -1.994 4.136) 4.592 3.191 ( 0.000 1.660 -2.886) 3.329 3.191 ( 0.000 1.660 2.886) 3.329 3.323 ( 0.000 1.569 -2.748) 3.164 3.323 ( 0.000 1.569 2.748) 3.164 3.481 ( 0.000 0.508 -0.381) 0.635 3.481 ( 0.000 0.508 0.381) 0.635 3.487 ( 0.000 7.692 -6.257) 9.915 3.487 ( 0.000 7.692 6.257) 9.915 3.791 ( 0.000 0.022 -5.549) 5.549 3.791 ( 0.000 0.022 5.549) 5.549 4.165 ( 0.000 -4.995 -7.041) 8.632 4.165 ( 0.000 -4.995 7.041) 8.632 4.345 ( 0.000 -1.006 -0.430) 1.094 4.345 ( 0.000 -1.006 0.430) 1.094 4.664 ( 0.000 -5.252 -3.385) 6.249 4.664 ( 0.000 -5.252 3.385) 6.249 4.914 ( 0.000 -5.782 -2.630) 6.352 4.914 ( 0.000 -5.782 2.630) 6.352 4.961 ( 0.000 1.119 -5.287) 5.404 4.961 ( 0.000 1.119 5.287) 5.404 5.755 ( 0.000 -2.224 -3.097) 3.813 5.755 ( 0.000 -2.224 3.097) 3.813 6.194 ( 0.000 1.719 -6.851) 7.063 6.194 ( 0.000 1.719 6.851) 7.063 6.675 ( 0.000 -5.006 -12.803) 13.747 6.675 ( 0.000 -5.006 12.803) 13.747 6.780 ( 0.000 -2.067 -6.121) 6.461 6.780 ( 0.000 -2.067 6.121) 6.461 6.947 ( 0.000 -7.687 -10.418) 12.947 6.947 ( 0.000 -7.687 10.418) 12.947 7.236 ( 0.000 -5.957 -8.388) 10.288 7.236 ( 0.000 -5.957 8.388) 10.288 7.301 ( 0.000 -2.072 -12.605) 12.774 7.301 ( 0.000 -2.072 12.605) 12.774 7.780 ( 0.000 1.768 -16.232) 16.328 7.780 ( 0.000 1.768 16.232) 16.328 7.819 ( 0.000 1.458 -12.109) 12.196 7.819 ( 0.000 1.458 12.109) 12.196 8.138 ( 0.000 6.618 -2.012) 6.917 8.138 ( 0.000 6.618 2.012) 6.917 8.451 ( 0.000 0.245 -10.484) 10.487 8.451 ( 0.000 0.245 10.484) 10.487 8.574 ( 0.000 -0.548 -5.656) 5.683 8.574 ( 0.000 -0.548 5.656) 5.683 8.713 ( 0.000 2.919 -1.006) 3.087 8.713 ( 0.000 2.919 1.006) 3.087 9.019 ( 0.000 0.577 -10.858) 10.873 9.019 ( 0.000 0.577 10.858) 10.873 9.320 ( 0.000 0.414 -4.688) 4.707 9.320 ( 0.000 0.414 4.688) 4.707 9.468 ( 0.000 -0.619 -3.539) 3.592 9.468 ( 0.000 -0.619 3.539) 3.592 9.879 ( 0.000 -1.022 -2.620) 2.812 9.879 ( 0.000 -1.022 2.620) 2.812 10.232 ( 0.000 -0.695 -5.800) 5.841 10.232 ( 0.000 -0.695 5.800) 5.841 10.488 ( 0.000 -0.606 -6.138) 6.168 10.488 ( 0.000 -0.606 6.138) 6.168 10.817 ( 0.000 -6.127 -14.052) 15.329 10.817 ( 0.000 -6.127 14.052) 15.329 10.849 ( 0.000 2.012 -12.909) 13.064 10.849 ( 0.000 2.012 12.909) 13.064 11.125 ( 0.000 -5.804 -8.472) 10.269 11.125 ( 0.000 -5.804 8.472) 10.269 11.395 ( 0.000 -1.578 -0.807) 1.773 11.395 ( 0.000 -1.578 0.807) 1.773 11.457 ( 0.000 -9.744 -5.304) 11.094 11.457 ( 0.000 -9.744 5.304) 11.094 11.820 ( 0.000 -3.773 -18.625) 19.003 11.820 ( 0.000 -3.773 18.625) 19.003 12.126 ( 0.000 1.764 -1.669) 2.428 12.126 ( 0.000 1.764 1.669) 2.428 12.147 ( 0.000 2.675 -10.016) 10.367 12.147 ( 0.000 2.675 10.016) 10.367 12.225 ( 0.000 0.142 -3.301) 3.304 12.225 ( 0.000 0.142 3.301) 3.304 12.515 ( 0.000 -3.484 -7.767) 8.512 12.515 ( 0.000 -3.484 7.767) 8.512 12.533 ( 0.000 2.020 -9.605) 9.815 12.533 ( 0.000 2.020 9.605) 9.815 12.578 ( 0.000 -0.647 -9.381) 9.403 12.578 ( 0.000 -0.647 9.381) 9.403 12.910 ( 0.000 0.545 -6.506) 6.528 12.910 ( 0.000 0.545 6.506) 6.528 13.185 ( 0.000 0.613 -7.184) 7.210 13.185 ( 0.000 0.613 7.184) 7.210 13.266 ( 0.000 2.244 -19.851) 19.978 13.266 ( 0.000 2.244 19.851) 19.978 13.316 ( 0.000 -0.497 -4.451) 4.478 13.316 ( 0.000 -0.497 4.451) 4.478 13.525 ( 0.000 -3.912 -11.086) 11.756 13.525 ( 0.000 -3.912 11.086) 11.756 13.761 ( 0.000 4.460 -8.333) 9.451 13.761 ( 0.000 4.460 8.333) 9.451 14.215 ( 0.000 0.209 -5.746) 5.750 14.215 ( 0.000 0.209 5.746) 5.750 14.749 ( 0.000 1.509 -20.632) 20.687 14.749 ( 0.000 1.509 20.632) 20.687 14.832 ( 0.000 -2.539 -12.515) 12.770 14.832 ( 0.000 -2.539 12.515) 12.770 15.194 ( 0.000 -0.772 -14.466) 14.487 15.194 ( 0.000 -0.772 14.466) 14.487 15.301 ( 0.000 1.682 -4.407) 4.717 15.301 ( 0.000 1.682 4.407) 4.717 15.979 ( 0.000 1.663 -13.163) 13.267 15.979 ( 0.000 1.663 13.163) 13.267 16.027 ( 0.000 2.584 -4.014) 4.774 16.027 ( 0.000 2.584 4.014) 4.774 16.122 ( 0.000 5.255 -13.949) 14.906 16.122 ( 0.000 5.255 13.949) 14.906 17.128 ( 0.000 0.044 -0.575) 0.577 17.128 ( 0.000 0.044 0.575) 0.577 17.196 ( 0.000 -2.553 -16.629) 16.824 17.196 ( 0.000 -2.553 16.629) 16.824 17.652 ( 0.000 1.053 -12.093) 12.139 17.652 ( 0.000 1.053 12.093) 12.139 17.932 ( 0.000 -2.268 -19.821) 19.950 17.932 ( 0.000 -2.268 19.821) 19.950 17.944 ( 0.000 2.124 -9.664) 9.894 17.944 ( 0.000 2.124 9.664) 9.894 18.255 ( 0.000 -0.416 -5.454) 5.470 18.255 ( 0.000 -0.416 5.454) 5.470 18.369 ( 0.000 -0.744 -5.584) 5.633 18.369 ( 0.000 -0.744 5.584) 5.633 18.515 ( 0.000 0.888 -3.202) 3.323 18.515 ( 0.000 0.888 3.202) 3.323 18.615 ( 0.000 2.396 -4.066) 4.719 18.615 ( 0.000 2.396 4.066) 4.719 18.950 ( 0.000 0.031 -7.735) 7.735 18.950 ( 0.000 0.031 7.735) 7.735 19.012 ( 0.000 0.036 -3.823) 3.823 19.012 ( 0.000 0.036 3.823) 3.823 19.567 ( 0.000 1.870 -4.631) 4.995 19.567 ( 0.000 1.870 4.631) 4.995 19.694 ( 0.000 1.161 -5.429) 5.552 19.694 ( 0.000 1.161 5.429) 5.552 20.297 ( 0.000 0.449 -6.261) 6.277 20.297 ( 0.000 0.449 6.261) 6.277 20.636 ( 0.000 -0.382 -8.958) 8.966 20.636 ( 0.000 -0.382 8.958) 8.966 20.855 ( 0.000 0.054 -9.494) 9.494 20.855 ( 0.000 0.054 9.494) 9.494 20.958 ( 0.000 -3.717 -4.898) 6.149 20.958 ( 0.000 -3.717 4.898) 6.149 21.158 ( 0.000 -1.908 -4.058) 4.484 21.158 ( 0.000 -1.908 4.058) 4.484 21.441 ( 0.000 -4.260 -15.559) 16.132 21.441 ( 0.000 -4.260 15.559) 16.132 21.461 ( 0.000 0.291 -5.634) 5.641 21.461 ( 0.000 0.291 5.634) 5.641 22.164 ( 0.000 -8.429 -16.541) 18.565 22.164 ( 0.000 -8.429 16.541) 18.565 22.723 ( 0.000 1.717 -0.166) 1.725 22.723 ( 0.000 1.717 0.166) 1.725 23.055 ( 0.000 -1.617 -11.825) 11.935 23.055 ( 0.000 -1.617 11.825) 11.935 23.066 ( 0.000 -1.687 -17.810) 17.889 23.066 ( 0.000 -1.687 17.810) 17.889 23.204 ( 0.000 1.431 -5.726) 5.902 23.204 ( 0.000 1.431 5.726) 5.902 23.889 ( 0.000 1.266 -1.875) 2.262 23.889 ( 0.000 1.266 1.875) 2.262 23.904 ( 0.000 -0.316 -0.430) 0.534 23.904 ( 0.000 -0.316 0.430) 0.534 24.250 ( 0.000 -6.699 -21.993) 22.991 24.250 ( 0.000 -6.699 21.993) 22.991 24.519 ( 0.000 0.117 -5.856) 5.858 24.519 ( 0.000 0.117 5.856) 5.858 24.788 ( 0.000 -6.673 -5.265) 8.500 24.788 ( 0.000 -6.673 5.265) 8.500 25.006 ( 0.000 -0.126 -0.220) 0.253 25.006 ( 0.000 -0.126 0.220) 0.253 25.408 ( 0.000 -3.576 -7.463) 8.275 25.408 ( 0.000 -3.576 7.463) 8.275 25.645 ( 0.000 -1.772 -8.460) 8.644 25.645 ( 0.000 -1.772 8.460) 8.644 25.723 ( 0.000 0.206 -23.064) 23.065 25.723 ( 0.000 0.206 23.064) 23.065 26.008 ( 0.000 -0.908 -4.251) 4.347 26.008 ( 0.000 -0.908 4.251) 4.347 26.874 ( 0.000 0.007 -1.511) 1.511 26.874 ( 0.000 0.007 1.511) 1.511 27.186 ( 0.000 -1.351 -21.501) 21.543 27.186 ( 0.000 -1.351 21.501) 21.543 28.112 ( 0.000 -0.839 -11.364) 11.395 28.112 ( 0.000 -0.839 11.364) 11.395 28.549 ( 0.000 -10.570 -9.593) 14.275 28.549 ( 0.000 -10.570 9.593) 14.275 28.682 ( 0.000 -9.593 -5.170) 10.898 28.682 ( 0.000 -9.593 5.170) 10.898 28.873 ( 0.000 -1.428 -4.016) 4.263 28.873 ( 0.000 -1.428 4.016) 4.263 29.168 ( 0.000 -6.757 -3.090) 7.430 29.168 ( 0.000 -6.757 3.090) 7.430 29.585 ( 0.000 -0.374 -17.343) 17.347 29.585 ( 0.000 -0.374 17.343) 17.347 29.631 ( 0.000 -3.293 -9.955) 10.486 29.631 ( 0.000 -3.293 9.955) 10.486 30.305 ( 0.000 -8.008 -11.433) 13.958 30.305 ( 0.000 -8.008 11.433) 13.958 30.884 ( 0.000 -1.473 -5.797) 5.981 30.884 ( 0.000 -1.473 5.797) 5.981 30.923 ( 0.000 -4.733 -2.730) 5.463 30.923 ( 0.000 -4.733 2.730) 5.463 31.188 ( 0.000 -9.387 -2.809) 9.798 31.188 ( 0.000 -9.387 2.809) 9.798 31.259 ( 0.000 0.517 -9.867) 9.880 31.259 ( 0.000 0.517 9.867) 9.880 31.619 ( 0.000 -10.945 -10.685) 15.296 31.619 ( 0.000 -10.945 10.685) 15.296 31.820 ( 0.000 -3.605 -6.774) 7.674 31.820 ( 0.000 -3.605 6.774) 7.674 31.994 ( 0.000 -10.084 -8.428) 13.143 31.994 ( 0.000 -10.084 8.428) 13.143 32.438 ( 0.000 -7.365 -7.982) 10.860 32.438 ( 0.000 -7.365 7.982) 10.860 33.178 ( 0.000 7.155 -16.752) 18.216 33.178 ( 0.000 7.155 16.752) 18.216 33.316 ( 0.000 -5.545 -10.250) 11.654 33.316 ( 0.000 -5.545 10.250) 11.654 33.524 ( 0.000 0.839 -4.080) 4.165 33.524 ( 0.000 0.839 4.080) 4.165 34.343 ( 0.000 5.933 -12.691) 14.009 34.343 ( 0.000 5.933 12.691) 14.009 36.510 ( 0.000 10.764 -59.388) 60.356 36.510 ( 0.000 10.764 59.388) 60.356 ======================= Grid point 132 (44/54) ======================= q-point: ( 0.25 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 3.844 13.360 -16.375) 21.480 1.934 ( 3.844 13.360 16.375) 21.480 2.090 ( 7.449 10.609 -20.064) 23.888 2.090 ( 7.449 10.609 20.064) 23.888 2.414 ( -3.223 4.996 -8.150) 10.088 2.414 ( -3.223 4.996 8.150) 10.088 2.614 ( 0.982 4.057 -6.854) 8.025 2.614 ( 0.982 4.057 6.854) 8.025 2.796 ( -0.215 0.278 -8.345) 8.352 2.796 ( -0.215 0.278 8.345) 8.352 2.983 ( 6.435 3.110 -2.780) 7.668 2.983 ( 6.435 3.110 2.780) 7.668 3.110 ( 2.079 3.664 -5.285) 6.758 3.110 ( 2.079 3.664 5.285) 6.758 3.252 ( 2.107 -1.897 -2.300) 3.651 3.252 ( 2.107 -1.897 2.300) 3.651 3.329 ( 0.020 2.009 -2.338) 3.082 3.329 ( 0.020 2.009 2.338) 3.082 3.456 ( -1.505 1.223 -2.027) 2.806 3.456 ( -1.505 1.223 2.027) 2.806 3.503 ( 2.381 5.509 -6.612) 8.929 3.503 ( 2.381 5.509 6.612) 8.929 3.806 ( 0.149 1.554 -5.614) 5.827 3.806 ( 0.149 1.554 5.614) 5.827 4.129 ( -5.929 -1.046 -5.652) 8.258 4.129 ( -5.929 -1.046 5.652) 8.258 4.275 ( -7.259 -0.033 -2.573) 7.701 4.275 ( -7.259 -0.033 2.573) 7.701 4.507 ( -2.974 -5.881 -2.483) 7.042 4.507 ( -2.974 -5.881 2.483) 7.042 4.811 ( -7.420 -6.531 -1.882) 10.063 4.811 ( -7.420 -6.531 1.882) 10.063 5.203 ( 13.035 -1.277 -1.818) 13.223 5.203 ( 13.035 -1.277 1.818) 13.223 5.688 ( -5.230 -2.242 -3.776) 6.829 5.688 ( -5.230 -2.242 3.776) 6.829 6.316 ( 8.900 -0.391 -2.722) 9.315 6.316 ( 8.900 -0.391 2.722) 9.315 6.665 ( -2.483 -6.098 -5.972) 8.889 6.665 ( -2.483 -6.098 5.972) 8.889 6.830 ( 8.496 -1.452 -6.053) 10.532 6.830 ( 8.496 -1.452 6.053) 10.532 7.002 ( -7.748 -2.104 -4.561) 9.234 7.002 ( -7.748 -2.104 4.561) 9.234 7.165 ( 7.327 -4.652 -15.066) 17.386 7.165 ( 7.327 -4.652 15.066) 17.386 7.398 ( 6.932 -2.113 -3.179) 7.913 7.398 ( 6.932 -2.113 3.179) 7.913 7.555 ( -8.166 0.153 -23.106) 24.507 7.555 ( -8.166 0.153 23.106) 24.507 8.036 ( -0.294 2.881 -4.067) 4.993 8.036 ( -0.294 2.881 4.067) 4.993 8.133 ( 6.585 0.704 -9.826) 11.849 8.133 ( 6.585 0.704 9.826) 11.849 8.348 ( -8.509 1.335 -2.623) 9.004 8.348 ( -8.509 1.335 2.623) 9.004 8.546 ( -4.006 1.684 -4.859) 6.519 8.546 ( -4.006 1.684 4.859) 6.519 8.811 ( 7.291 -0.906 -5.668) 9.279 8.811 ( 7.291 -0.906 5.668) 9.279 8.951 ( -6.920 3.312 -4.214) 8.753 8.951 ( -6.920 3.312 4.214) 8.753 9.137 ( -3.039 0.909 -4.834) 5.782 9.137 ( -3.039 0.909 4.834) 5.782 9.615 ( 7.051 -0.474 -4.494) 8.374 9.615 ( 7.051 -0.474 4.494) 8.374 10.057 ( 2.665 -2.164 -9.995) 10.568 10.057 ( 2.665 -2.164 9.995) 10.568 10.072 ( -8.139 -0.226 -2.583) 8.542 10.072 ( -8.139 -0.226 2.583) 8.542 10.312 ( -16.140 -5.789 -9.436) 19.571 10.312 ( -16.140 -5.789 9.436) 19.571 10.739 ( -0.223 -4.202 -6.871) 8.058 10.739 ( -0.223 -4.202 6.871) 8.058 10.841 ( -0.808 -1.779 -4.540) 4.943 10.841 ( -0.808 -1.779 4.540) 4.943 11.049 ( -1.360 -2.793 -9.502) 9.997 11.049 ( -1.360 -2.793 9.502) 9.997 11.370 ( -1.321 -2.339 -1.610) 3.132 11.370 ( -1.321 -2.339 1.610) 3.132 11.575 ( 3.332 -6.130 -4.990) 8.578 11.575 ( 3.332 -6.130 4.990) 8.578 11.773 ( -4.436 -0.834 -11.467) 12.324 11.773 ( -4.436 -0.834 11.467) 12.324 12.107 ( -0.887 -0.145 -4.043) 4.142 12.107 ( -0.887 -0.145 4.043) 4.142 12.210 ( 6.524 1.238 -7.721) 10.184 12.210 ( 6.524 1.238 7.721) 10.184 12.332 ( 0.979 -0.041 -2.420) 2.611 12.332 ( 0.979 -0.041 2.420) 2.611 12.405 ( 5.430 1.944 -5.356) 7.871 12.405 ( 5.430 1.944 5.356) 7.871 12.570 ( 1.359 0.104 -9.815) 9.909 12.570 ( 1.359 0.104 9.815) 9.909 12.652 ( 1.644 -3.101 -6.081) 7.021 12.652 ( 1.644 -3.101 6.081) 7.021 12.916 ( -5.097 1.614 -4.006) 6.680 12.916 ( -5.097 1.614 4.006) 6.680 13.073 ( -1.309 2.505 -13.246) 13.544 13.073 ( -1.309 2.505 13.246) 13.544 13.252 ( 0.883 0.612 -8.397) 8.465 13.252 ( 0.883 0.612 8.397) 8.465 13.386 ( -1.024 -4.634 -2.909) 5.566 13.386 ( -1.024 -4.634 2.909) 5.566 13.656 ( 10.666 2.136 -7.715) 13.336 13.656 ( 10.666 2.136 7.715) 13.336 13.927 ( 8.870 2.933 -6.277) 11.255 13.927 ( 8.870 2.933 6.277) 11.255 14.268 ( 9.441 -1.733 -7.556) 12.216 14.268 ( 9.441 -1.733 7.556) 12.216 14.638 ( -8.257 0.405 -15.952) 17.967 14.638 ( -8.257 0.405 15.952) 17.967 14.862 ( 0.380 -1.416 -7.878) 8.013 14.862 ( 0.380 -1.416 7.878) 8.013 15.193 ( -1.469 0.081 -6.658) 6.818 15.193 ( -1.469 0.081 6.658) 6.818 15.282 ( 0.084 1.607 -2.742) 3.179 15.282 ( 0.084 1.607 2.742) 3.179 15.824 ( -3.259 3.994 -9.845) 11.113 15.824 ( -3.259 3.994 9.845) 11.113 15.999 ( -4.690 3.184 -0.576) 5.698 15.999 ( -4.690 3.184 0.576) 5.698 16.268 ( 3.368 2.191 -8.022) 8.972 16.268 ( 3.368 2.191 8.022) 8.972 16.787 ( -15.967 -0.152 -0.984) 15.998 16.787 ( -15.967 -0.152 0.984) 15.998 17.141 ( -10.543 -1.061 -13.018) 16.785 17.141 ( -10.543 -1.061 13.018) 16.785 17.819 ( 8.940 -0.592 -8.192) 12.140 17.819 ( 8.940 -0.592 8.192) 12.140 17.865 ( 0.868 -1.249 -15.056) 15.132 17.865 ( 0.868 -1.249 15.056) 15.132 18.037 ( 2.073 0.427 -9.219) 9.459 18.037 ( 2.073 0.427 9.219) 9.459 18.252 ( -5.883 -1.478 -1.736) 6.309 18.252 ( -5.883 -1.478 1.736) 6.309 18.374 ( 6.787 0.868 -2.988) 7.467 18.374 ( 6.787 0.868 2.988) 7.467 18.533 ( -0.379 1.889 -4.293) 4.706 18.533 ( -0.379 1.889 4.293) 4.706 18.665 ( 4.266 1.596 -3.343) 5.650 18.665 ( 4.266 1.596 3.343) 5.650 18.952 ( 1.006 -1.070 -5.838) 6.020 18.952 ( 1.006 -1.070 5.838) 6.020 19.052 ( 2.454 0.948 -3.674) 4.519 19.052 ( 2.454 0.948 3.674) 4.519 19.660 ( 8.632 0.907 -4.594) 9.820 19.660 ( 8.632 0.907 4.594) 9.820 19.875 ( 17.015 1.137 -9.355) 19.450 19.875 ( 17.015 1.137 9.355) 19.450 20.211 ( -8.353 0.332 -3.458) 9.047 20.211 ( -8.353 0.332 3.458) 9.047 20.648 ( -1.945 -1.266 -10.069) 10.332 20.648 ( -1.945 -1.266 10.069) 10.332 20.724 ( -7.153 -0.462 -2.769) 7.684 20.724 ( -7.153 -0.462 2.769) 7.684 20.970 ( -7.887 -0.223 -0.677) 7.919 20.970 ( -7.887 -0.223 0.677) 7.919 21.095 ( -0.380 -2.435 -5.043) 5.613 21.095 ( -0.380 -2.435 5.043) 5.613 21.302 ( 1.654 -1.458 -2.991) 3.716 21.302 ( 1.654 -1.458 2.991) 3.716 21.537 ( -6.474 -5.110 -3.859) 9.106 21.537 ( -6.474 -5.110 3.859) 9.106 22.227 ( 8.040 -1.534 -3.057) 8.737 22.227 ( 8.040 -1.534 3.057) 8.737 22.699 ( -5.805 -2.856 -9.492) 11.487 22.699 ( -5.805 -2.856 9.492) 11.487 22.882 ( -7.649 -0.041 -10.528) 13.013 22.882 ( -7.649 -0.041 10.528) 13.013 23.134 ( 5.310 -0.406 -7.917) 9.542 23.134 ( 5.310 -0.406 7.917) 9.542 23.330 ( 7.221 0.155 -1.238) 7.328 23.330 ( 7.221 0.155 1.238) 7.328 23.813 ( -6.025 1.212 -4.563) 7.655 23.813 ( -6.025 1.212 4.563) 7.655 23.917 ( 0.401 -0.858 -1.655) 1.907 23.917 ( 0.401 -0.858 1.655) 1.907 24.131 ( -6.527 -3.319 -13.975) 15.777 24.131 ( -6.527 -3.319 13.975) 15.777 24.434 ( -11.969 -1.873 -3.213) 12.533 24.434 ( -11.969 -1.873 3.213) 12.533 24.700 ( 7.018 1.196 -6.044) 9.339 24.700 ( 7.018 1.196 6.044) 9.339 25.177 ( -3.762 1.892 -13.250) 13.903 25.177 ( -3.762 1.892 13.250) 13.903 25.336 ( -0.965 -2.003 -7.964) 8.269 25.336 ( -0.965 -2.003 7.964) 8.269 25.853 ( 3.026 -0.302 -3.605) 4.716 25.853 ( 3.026 -0.302 3.605) 4.716 26.002 ( 37.068 -11.624 -3.339) 38.991 26.002 ( 37.068 -11.624 3.339) 38.991 26.232 ( 21.922 -3.613 -12.154) 25.325 26.232 ( 21.922 -3.613 12.154) 25.325 26.877 ( 0.137 -0.249 -1.361) 1.390 26.877 ( 0.137 -0.249 1.361) 1.390 27.101 ( -7.632 -1.574 -21.319) 22.699 27.101 ( -7.632 -1.574 21.319) 22.699 28.004 ( -26.480 -11.583 -12.759) 31.593 28.004 ( -26.480 -11.583 12.759) 31.593 28.286 ( -0.223 -4.542 -10.262) 11.224 28.286 ( -0.223 -4.542 10.262) 11.224 28.676 ( -5.599 -4.169 -4.429) 8.267 28.676 ( -5.599 -4.169 4.429) 8.267 28.877 ( 0.074 -9.635 -0.666) 9.658 28.877 ( 0.074 -9.635 0.666) 9.658 29.248 ( 5.972 -3.379 -2.233) 7.216 29.248 ( 5.972 -3.379 2.233) 7.216 29.436 ( -3.900 -1.595 -5.713) 7.099 29.436 ( -3.900 -1.595 5.713) 7.099 29.877 ( 7.283 -4.469 -1.541) 8.683 29.877 ( 7.283 -4.469 1.541) 8.683 30.285 ( 2.056 -5.663 -5.508) 8.162 30.285 ( 2.056 -5.663 5.508) 8.162 30.797 ( -4.466 -1.600 -2.242) 5.247 30.797 ( -4.466 -1.600 2.242) 5.247 30.946 ( -0.465 -2.134 -3.457) 4.089 30.946 ( -0.465 -2.134 3.457) 4.089 31.138 ( -2.164 -7.339 -3.909) 8.592 31.138 ( -2.164 -7.339 3.909) 8.592 31.400 ( 9.069 -2.817 -6.640) 11.588 31.400 ( 9.069 -2.817 6.640) 11.588 31.567 ( -3.858 -13.922 -6.679) 15.916 31.567 ( -3.858 -13.922 6.679) 15.916 31.844 ( 2.148 -4.337 -3.535) 5.994 31.844 ( 2.148 -4.337 3.535) 5.994 32.010 ( 0.556 -6.914 -4.645) 8.348 32.010 ( 0.556 -6.914 4.645) 8.348 32.411 ( -2.633 -7.221 -6.456) 10.038 32.411 ( -2.633 -7.221 6.456) 10.038 32.939 ( -12.113 0.471 -9.083) 15.148 32.939 ( -12.113 0.471 9.083) 15.148 33.391 ( 1.835 -3.614 -6.042) 7.276 33.391 ( 1.835 -3.614 6.042) 7.276 33.607 ( 3.928 1.703 -5.473) 6.949 33.607 ( 3.928 1.703 5.473) 6.949 34.614 ( 25.082 9.729 -18.864) 32.858 34.614 ( 25.082 9.729 18.864) 32.858 36.216 ( -26.635 13.163 -48.439) 56.824 36.216 ( -26.635 13.163 48.439) 56.824 ======================= Grid point 134 (45/54) ======================= q-point: (-0.50 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 8.990 -8.789) 12.573 2.003 ( 0.000 8.990 8.789) 12.573 2.170 ( 0.000 2.933 -15.967) 16.234 2.170 ( 0.000 2.933 15.967) 16.234 2.389 ( -0.000 8.603 -6.332) 10.682 2.389 ( 0.000 8.603 6.332) 10.682 2.618 ( 0.000 7.599 -12.617) 14.728 2.618 ( -0.000 7.599 12.617) 14.728 2.742 ( -0.000 2.744 -2.077) 3.441 2.742 ( -0.000 2.744 2.077) 3.441 3.070 ( -0.000 1.776 -1.284) 2.192 3.070 ( 0.000 1.776 1.284) 2.192 3.204 ( 0.000 0.697 -0.866) 1.112 3.204 ( 0.000 0.697 0.867) 1.112 3.249 ( 0.000 0.729 -2.085) 2.209 3.249 ( -0.000 0.729 2.085) 2.209 3.324 ( 0.000 1.198 -0.021) 1.198 3.324 ( 0.000 1.198 0.021) 1.198 3.429 ( 0.000 3.816 -0.825) 3.904 3.429 ( -0.000 3.816 0.825) 3.904 3.617 ( 0.000 2.984 -9.796) 10.240 3.617 ( 0.000 2.984 9.796) 10.240 3.742 ( 0.000 3.853 -9.021) 9.810 3.742 ( -0.000 3.853 9.021) 9.810 3.993 ( 0.000 4.526 -0.932) 4.621 3.993 ( 0.000 4.526 0.932) 4.621 4.215 ( 0.000 -3.869 -1.820) 4.276 4.215 ( 0.000 -3.869 1.820) 4.276 4.532 ( 0.000 -6.402 -1.428) 6.559 4.532 ( 0.000 -6.402 1.428) 6.559 4.698 ( 0.000 -5.836 -1.451) 6.014 4.698 ( -0.000 -5.836 1.451) 6.014 5.348 ( 0.000 -2.590 -4.248) 4.976 5.348 ( 0.000 -2.590 4.248) 4.976 5.619 ( 0.000 -2.179 -2.250) 3.132 5.619 ( 0.000 -2.179 2.250) 3.132 6.431 ( 0.000 -5.181 -1.175) 5.312 6.431 ( 0.000 -5.181 1.175) 5.312 6.650 ( 0.000 -4.997 -9.507) 10.740 6.650 ( 0.000 -4.997 9.507) 10.740 6.794 ( -0.000 1.138 -5.362) 5.481 6.794 ( 0.000 1.138 5.362) 5.481 7.002 ( 0.000 1.845 -10.075) 10.243 7.002 ( 0.000 1.845 10.075) 10.243 7.300 ( -0.000 -4.219 -18.810) 19.278 7.300 ( -0.000 -4.219 18.810) 19.278 7.419 ( 0.000 0.877 -2.897) 3.026 7.419 ( 0.000 0.877 2.897) 3.026 7.618 ( -0.000 -1.485 -2.131) 2.598 7.618 ( -0.000 -1.485 2.131) 2.598 7.896 ( 0.000 -2.633 -0.022) 2.633 7.896 ( 0.000 -2.633 0.022) 2.633 8.199 ( 0.000 2.684 -4.960) 5.640 8.199 ( 0.000 2.684 4.960) 5.640 8.279 ( 0.000 0.759 -1.230) 1.446 8.279 ( 0.000 0.759 1.230) 1.446 8.499 ( 0.000 2.011 -6.392) 6.701 8.499 ( 0.000 2.011 6.392) 6.701 8.767 ( 0.000 4.105 -0.309) 4.116 8.767 ( 0.000 4.105 0.309) 4.116 9.028 ( -0.000 -1.974 -8.669) 8.891 9.028 ( -0.000 -1.974 8.669) 8.891 9.129 ( 0.000 -1.076 -11.261) 11.312 9.129 ( 0.000 -1.076 11.261) 11.312 9.737 ( 0.000 -1.681 -7.763) 7.943 9.737 ( 0.000 -1.681 7.763) 7.943 9.772 ( -0.000 -1.462 -8.227) 8.356 9.772 ( -0.000 -1.462 8.227) 8.356 10.024 ( 0.000 -2.632 -7.576) 8.020 10.024 ( -0.000 -2.632 7.576) 8.020 10.250 ( 0.000 -3.203 -1.016) 3.361 10.250 ( 0.000 -3.203 1.016) 3.361 10.791 ( 0.000 -2.516 -3.014) 3.927 10.791 ( 0.000 -2.516 3.014) 3.927 10.833 ( -0.000 -2.083 -6.093) 6.439 10.833 ( 0.000 -2.083 6.093) 6.439 11.045 ( 0.000 -5.962 -4.731) 7.611 11.045 ( 0.000 -5.962 4.731) 7.611 11.350 ( 0.000 -2.051 -3.154) 3.762 11.350 ( -0.000 -2.051 3.154) 3.762 11.563 ( 0.000 -1.763 -4.928) 5.234 11.563 ( 0.000 -1.763 4.928) 5.234 11.733 ( 0.000 -0.863 -5.010) 5.084 11.733 ( 0.000 -0.863 5.010) 5.084 12.081 ( 0.000 -1.525 -6.640) 6.813 12.081 ( 0.000 -1.525 6.640) 6.813 12.263 ( 0.000 2.226 -3.624) 4.253 12.263 ( 0.000 2.226 3.624) 4.253 12.420 ( 0.000 0.632 -2.768) 2.840 12.420 ( 0.000 0.632 2.768) 2.840 12.453 ( -0.000 -1.745 -6.567) 6.795 12.453 ( 0.000 -1.745 6.567) 6.795 12.621 ( 0.000 -1.727 -1.819) 2.508 12.621 ( 0.000 -1.727 1.819) 2.508 12.662 ( 0.000 1.617 -1.744) 2.379 12.662 ( 0.000 1.617 1.744) 2.379 12.821 ( 0.000 1.182 -0.324) 1.226 12.821 ( 0.000 1.182 0.324) 1.226 13.066 ( 0.000 4.422 -5.003) 6.677 13.066 ( 0.000 4.422 5.003) 6.677 13.267 ( 0.000 -3.276 -6.459) 7.242 13.267 ( 0.000 -3.276 6.459) 7.242 13.377 ( 0.000 -2.362 -2.450) 3.403 13.377 ( -0.000 -2.362 2.450) 3.403 13.761 ( -0.000 4.252 -3.345) 5.410 13.761 ( 0.000 4.252 3.345) 5.410 13.998 ( 0.000 1.068 -1.596) 1.921 13.998 ( 0.000 1.068 1.596) 1.921 14.429 ( 0.000 -2.609 -1.235) 2.886 14.429 ( 0.000 -2.609 1.235) 2.886 14.553 ( -0.000 0.279 -4.715) 4.723 14.553 ( -0.000 0.279 4.715) 4.723 14.853 ( 0.000 -0.984 -2.597) 2.777 14.853 ( 0.000 -0.984 2.597) 2.777 15.151 ( 0.000 -0.013 -0.431) 0.431 15.151 ( -0.000 -0.013 0.431) 0.431 15.317 ( -0.000 3.048 -1.786) 3.533 15.317 ( 0.000 3.048 1.786) 3.533 15.785 ( 0.000 4.148 -11.429) 12.158 15.785 ( 0.000 4.148 11.429) 12.158 16.016 ( 0.000 2.093 -2.562) 3.308 16.016 ( 0.000 2.093 2.562) 3.308 16.179 ( -0.000 0.945 -5.186) 5.271 16.179 ( 0.000 0.945 5.186) 5.271 16.648 ( 0.000 0.256 -2.240) 2.255 16.648 ( 0.000 0.256 2.240) 2.255 17.013 ( 0.000 -0.044 -1.853) 1.854 17.013 ( 0.000 -0.044 1.853) 1.854 17.877 ( 0.000 -2.565 -10.580) 10.886 17.877 ( 0.000 -2.565 10.580) 10.886 17.950 ( -0.000 -0.914 -3.489) 3.606 17.950 ( -0.000 -0.914 3.489) 3.606 18.050 ( 0.000 -0.440 -3.840) 3.865 18.050 ( 0.000 -0.440 3.840) 3.865 18.128 ( 0.000 -0.239 -6.072) 6.077 18.128 ( -0.000 -0.239 6.072) 6.077 18.477 ( 0.000 1.717 -1.530) 2.300 18.477 ( -0.000 1.717 1.530) 2.300 18.523 ( 0.000 2.516 -5.579) 6.120 18.523 ( 0.000 2.516 5.579) 6.120 18.717 ( 0.000 0.962 -1.833) 2.070 18.717 ( 0.000 0.962 1.833) 2.070 18.969 ( 0.000 -2.185 -1.656) 2.742 18.969 ( 0.000 -2.185 1.656) 2.742 19.080 ( 0.000 1.857 -3.548) 4.005 19.080 ( 0.000 1.857 3.548) 4.005 19.821 ( 0.000 -0.940 -0.004) 0.940 19.821 ( -0.000 -0.940 0.004) 0.940 20.006 ( 0.000 0.996 -0.326) 1.048 20.006 ( 0.000 0.996 0.326) 1.048 20.255 ( -0.000 1.131 -3.150) 3.347 20.255 ( 0.000 1.131 3.150) 3.347 20.458 ( 0.000 -0.294 -4.533) 4.542 20.458 ( -0.000 -0.294 4.533) 4.542 20.639 ( 0.000 -0.996 -0.301) 1.040 20.639 ( 0.000 -0.996 0.301) 1.040 20.882 ( 0.000 -2.170 -2.902) 3.623 20.882 ( -0.000 -2.170 2.902) 3.623 21.197 ( 0.000 -0.798 -3.431) 3.523 21.197 ( 0.000 -0.798 3.431) 3.523 21.333 ( -0.000 -1.648 -6.113) 6.331 21.333 ( -0.000 -1.648 6.113) 6.331 21.368 ( 0.000 -2.540 -6.593) 7.065 21.368 ( 0.000 -2.540 6.593) 7.065 22.361 ( -0.000 -2.872 -5.164) 5.909 22.361 ( -0.000 -2.872 5.164) 5.909 22.571 ( 0.000 -0.080 -4.355) 4.356 22.571 ( 0.000 -0.080 4.355) 4.356 22.826 ( 0.000 -0.801 -0.858) 1.174 22.826 ( 0.000 -0.801 0.858) 1.174 23.211 ( 0.000 -0.726 -0.045) 0.728 23.211 ( -0.000 -0.726 0.045) 0.728 23.409 ( -0.000 -0.551 -0.896) 1.052 23.409 ( -0.000 -0.551 0.896) 1.052 23.728 ( 0.000 1.064 -0.938) 1.418 23.728 ( 0.000 1.064 0.938) 1.418 23.920 ( 0.000 -0.982 -1.938) 2.172 23.920 ( 0.000 -0.982 1.938) 2.172 24.065 ( 0.000 -1.378 -3.201) 3.485 24.065 ( 0.000 -1.378 3.201) 3.485 24.309 ( 0.000 -0.926 -1.387) 1.668 24.309 ( 0.000 -0.926 1.387) 1.668 24.790 ( -0.000 1.680 -0.954) 1.932 24.790 ( -0.000 1.680 0.954) 1.932 25.092 ( 0.000 2.451 -0.277) 2.466 25.092 ( 0.000 2.451 0.277) 2.466 25.347 ( 0.000 -1.558 -1.198) 1.965 25.347 ( 0.000 -1.558 1.198) 1.965 25.861 ( 0.000 0.167 -1.140) 1.153 25.861 ( 0.000 0.167 1.140) 1.153 26.516 ( 0.000 -0.974 -2.309) 2.506 26.516 ( -0.000 -0.974 2.309) 2.506 26.588 ( 0.000 -11.073 -16.666) 20.009 26.588 ( 0.000 -11.073 16.666) 20.009 26.855 ( -0.000 -3.196 -16.673) 16.977 26.855 ( -0.000 -3.196 16.673) 16.977 27.066 ( 0.000 -1.679 -3.184) 3.600 27.066 ( 0.000 -1.679 3.184) 3.600 27.459 ( 0.000 -22.305 -4.428) 22.741 27.459 ( 0.000 -22.305 4.428) 22.741 28.383 ( -0.000 -1.646 -8.233) 8.395 28.383 ( 0.000 -1.646 8.233) 8.395 28.568 ( -0.000 -2.387 -1.577) 2.861 28.568 ( 0.000 -2.387 1.577) 2.861 28.869 ( 0.000 -15.690 -3.327) 16.039 28.869 ( 0.000 -15.690 3.327) 16.039 29.317 ( 0.000 -2.084 -2.995) 3.649 29.317 ( 0.000 -2.084 2.995) 3.649 29.419 ( -0.000 -1.403 -4.658) 4.865 29.419 ( -0.000 -1.403 4.658) 4.865 29.881 ( -0.000 -5.592 -1.270) 5.734 29.881 ( -0.000 -5.592 1.270) 5.734 30.371 ( 0.000 -2.730 -2.530) 3.722 30.371 ( 0.000 -2.730 2.530) 3.722 30.755 ( 0.000 0.325 -0.422) 0.532 30.755 ( 0.000 0.325 0.422) 0.532 30.922 ( 0.000 -1.608 -0.655) 1.736 30.922 ( -0.000 -1.608 0.655) 1.736 31.112 ( 0.000 -9.613 -4.340) 10.548 31.112 ( -0.000 -9.613 4.340) 10.548 31.495 ( 0.000 -8.787 -7.596) 11.615 31.495 ( 0.000 -8.787 7.596) 11.615 31.541 ( 0.000 -9.605 -7.136) 11.966 31.541 ( 0.000 -9.605 7.136) 11.966 31.872 ( 0.000 -4.623 -2.193) 5.117 31.872 ( 0.000 -4.623 2.193) 5.117 32.005 ( 0.000 -4.871 -0.049) 4.871 32.005 ( 0.000 -4.871 0.049) 4.871 32.371 ( 0.000 -7.070 -0.759) 7.111 32.371 ( 0.000 -7.070 0.759) 7.111 32.819 ( 0.000 -2.166 -2.882) 3.605 32.819 ( 0.000 -2.166 2.882) 3.605 33.407 ( 0.000 -3.821 -6.164) 7.252 33.407 ( 0.000 -3.821 6.164) 7.252 33.638 ( 0.000 1.476 -3.515) 3.812 33.638 ( 0.000 1.476 3.515) 3.812 35.035 ( -0.000 12.571 -24.794) 27.799 35.035 ( 0.000 12.571 24.794) 27.799 35.776 ( 0.000 15.341 -19.021) 24.436 35.776 ( -0.000 15.341 19.021) 24.436 ======================= Grid point 140 (46/54) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.000 7.578 -12.617) 14.718 2.115 ( 0.000 7.578 12.617) 14.718 2.308 ( 0.000 9.343 -13.308) 16.260 2.308 ( 0.000 9.343 13.308) 16.260 2.533 ( 0.000 6.764 -9.501) 11.663 2.533 ( 0.000 6.764 9.501) 11.663 2.745 ( 0.000 7.898 -4.161) 8.927 2.745 ( 0.000 7.898 4.161) 8.927 2.874 ( 0.000 12.255 -12.171) 17.272 2.874 ( 0.000 12.255 12.171) 17.272 2.924 ( 0.000 1.056 -4.118) 4.251 2.924 ( 0.000 1.056 4.118) 4.251 3.127 ( 0.000 -0.772 -3.829) 3.906 3.127 ( 0.000 -0.772 3.829) 3.906 3.231 ( 0.000 2.453 -5.741) 6.243 3.231 ( 0.000 2.453 5.741) 6.243 3.356 ( 0.000 0.562 -3.339) 3.386 3.356 ( 0.000 0.562 3.339) 3.386 3.505 ( 0.000 1.730 -0.619) 1.838 3.505 ( 0.000 1.730 0.619) 1.838 3.672 ( 0.000 10.535 -4.430) 11.428 3.672 ( 0.000 10.535 4.430) 11.428 3.758 ( 0.000 -3.185 -6.047) 6.834 3.758 ( 0.000 -3.185 6.047) 6.834 4.062 ( 0.000 -4.250 -4.644) 6.295 4.062 ( 0.000 -4.250 4.644) 6.295 4.285 ( 0.000 -4.947 -1.542) 5.182 4.285 ( 0.000 -4.947 1.542) 5.182 4.535 ( 0.000 -7.220 -5.959) 9.361 4.535 ( 0.000 -7.220 5.959) 9.361 4.813 ( 0.000 -4.076 -6.095) 7.332 4.813 ( 0.000 -4.076 6.095) 7.332 4.992 ( 0.000 1.483 -4.629) 4.861 4.992 ( 0.000 1.483 4.629) 4.861 5.706 ( 0.000 -2.551 -2.397) 3.500 5.706 ( 0.000 -2.551 2.397) 3.500 6.222 ( 0.000 0.986 -8.983) 9.037 6.222 ( 0.000 0.986 8.983) 9.037 6.574 ( 0.000 -5.492 -9.431) 10.914 6.574 ( 0.000 -5.492 9.431) 10.914 6.740 ( 0.000 -1.832 -5.417) 5.718 6.740 ( 0.000 -1.832 5.417) 5.718 6.774 ( 0.000 -8.822 -17.205) 19.335 6.774 ( 0.000 -8.822 17.205) 19.335 7.105 ( 0.000 -6.594 -13.852) 15.341 7.105 ( 0.000 -6.594 13.852) 15.341 7.245 ( 0.000 -3.402 -14.969) 15.350 7.245 ( 0.000 -3.402 14.969) 15.350 7.819 ( 0.000 2.083 -15.346) 15.486 7.819 ( 0.000 2.083 15.346) 15.486 7.836 ( 0.000 0.617 -11.376) 11.393 7.836 ( 0.000 0.617 11.376) 11.393 8.226 ( 0.000 0.741 -4.172) 4.238 8.226 ( 0.000 0.741 4.172) 4.238 8.434 ( 0.000 -1.681 -2.422) 2.949 8.434 ( 0.000 -1.681 2.422) 2.949 8.561 ( 0.000 -0.845 -4.965) 5.037 8.561 ( 0.000 -0.845 4.965) 5.037 8.733 ( 0.000 -1.035 -4.733) 4.845 8.733 ( 0.000 -1.035 4.733) 4.845 9.033 ( 0.000 1.036 -10.396) 10.448 9.033 ( 0.000 1.036 10.396) 10.448 9.317 ( 0.000 -0.713 -5.472) 5.518 9.317 ( 0.000 -0.713 5.472) 5.518 9.467 ( 0.000 1.130 -2.409) 2.661 9.467 ( 0.000 1.130 2.409) 2.661 9.856 ( 0.000 -1.170 -2.241) 2.528 9.856 ( 0.000 -1.170 2.241) 2.528 10.204 ( 0.000 -1.603 -4.818) 5.077 10.204 ( 0.000 -1.603 4.818) 5.077 10.479 ( 0.000 -0.341 -6.599) 6.608 10.479 ( 0.000 -0.341 6.599) 6.608 10.689 ( 0.000 -6.278 -11.158) 12.803 10.689 ( 0.000 -6.278 11.158) 12.803 10.885 ( 0.000 1.517 -13.995) 14.077 10.885 ( 0.000 1.517 13.995) 14.077 11.013 ( 0.000 -5.155 -8.818) 10.215 11.013 ( 0.000 -5.155 8.818) 10.215 11.250 ( 0.000 -10.026 -4.161) 10.855 11.250 ( 0.000 -10.026 4.161) 10.855 11.372 ( 0.000 -0.838 -2.055) 2.219 11.372 ( 0.000 -0.838 2.055) 2.219 11.764 ( 0.000 -1.982 -16.852) 16.968 11.764 ( 0.000 -1.982 16.852) 16.968 12.131 ( 0.000 -1.040 -7.293) 7.367 12.131 ( 0.000 -1.040 7.293) 7.367 12.172 ( 0.000 -0.570 -8.702) 8.720 12.172 ( 0.000 -0.570 8.702) 8.720 12.246 ( 0.000 1.818 -2.568) 3.147 12.246 ( 0.000 1.818 2.568) 3.147 12.454 ( 0.000 -1.631 -5.916) 6.137 12.454 ( 0.000 -1.631 5.916) 6.137 12.560 ( 0.000 0.740 -12.928) 12.949 12.560 ( 0.000 0.740 12.928) 12.949 12.583 ( 0.000 0.639 -15.520) 15.534 12.583 ( 0.000 0.639 15.520) 15.534 12.927 ( 0.000 1.187 -5.749) 5.870 12.927 ( 0.000 1.187 5.749) 5.870 13.166 ( 0.000 -2.756 -7.499) 7.989 13.166 ( 0.000 -2.756 7.499) 7.989 13.290 ( 0.000 -2.289 -3.989) 4.599 13.290 ( 0.000 -2.289 3.989) 4.599 13.310 ( 0.000 2.256 -18.593) 18.730 13.310 ( 0.000 2.256 18.593) 18.730 13.471 ( 0.000 -1.223 -7.676) 7.773 13.471 ( 0.000 -1.223 7.676) 7.773 13.835 ( 0.000 2.878 -9.144) 9.587 13.835 ( 0.000 2.878 9.144) 9.587 14.240 ( 0.000 2.259 -7.404) 7.741 14.240 ( 0.000 2.259 7.404) 7.741 14.775 ( 0.000 -2.991 -16.921) 17.183 14.775 ( 0.000 -2.991 16.921) 17.183 14.779 ( 0.000 1.444 -20.192) 20.244 14.779 ( 0.000 1.444 20.192) 20.244 15.173 ( 0.000 -1.323 -13.102) 13.168 15.173 ( 0.000 -1.323 13.102) 13.168 15.334 ( 0.000 1.517 -5.523) 5.728 15.334 ( 0.000 1.517 5.523) 5.728 16.011 ( 0.000 1.435 -13.969) 14.043 16.011 ( 0.000 1.435 13.969) 14.043 16.055 ( 0.000 0.293 -1.357) 1.388 16.055 ( 0.000 0.293 1.357) 1.388 16.224 ( 0.000 4.704 -13.084) 13.904 16.224 ( 0.000 4.704 13.084) 13.904 17.130 ( 0.000 0.109 -1.650) 1.654 17.130 ( 0.000 0.109 1.650) 1.654 17.148 ( 0.000 -2.133 -14.808) 14.960 17.148 ( 0.000 -2.133 14.808) 14.960 17.670 ( 0.000 0.686 -15.706) 15.721 17.670 ( 0.000 0.686 15.706) 15.721 17.888 ( 0.000 -2.050 -19.398) 19.506 17.888 ( 0.000 -2.050 19.398) 19.506 17.992 ( 0.000 2.585 -10.589) 10.900 17.992 ( 0.000 2.585 10.589) 10.900 18.249 ( 0.000 -0.213 -4.064) 4.070 18.249 ( 0.000 -0.213 4.064) 4.070 18.349 ( 0.000 -1.284 -5.851) 5.990 18.349 ( 0.000 -1.284 5.851) 5.990 18.530 ( 0.000 0.549 -2.940) 2.991 18.530 ( 0.000 0.549 2.940) 2.991 18.662 ( 0.000 2.176 -2.919) 3.640 18.662 ( 0.000 2.176 2.919) 3.640 18.954 ( 0.000 0.292 -8.174) 8.179 18.954 ( 0.000 0.292 8.174) 8.179 19.014 ( 0.000 0.159 -4.296) 4.299 19.014 ( 0.000 0.159 4.296) 4.299 19.608 ( 0.000 2.021 -5.261) 5.636 19.608 ( 0.000 2.021 5.261) 5.636 19.713 ( 0.000 0.688 -6.784) 6.819 19.713 ( 0.000 0.688 6.784) 6.819 20.305 ( 0.000 0.322 -6.997) 7.005 20.305 ( 0.000 0.322 6.997) 7.005 20.629 ( 0.000 -0.319 -8.853) 8.858 20.629 ( 0.000 -0.319 8.853) 8.858 20.857 ( 0.000 0.132 -8.695) 8.696 20.857 ( 0.000 0.132 8.695) 8.696 20.880 ( 0.000 -3.642 -8.924) 9.639 20.880 ( 0.000 -3.642 8.924) 9.639 21.117 ( 0.000 -2.100 -5.270) 5.673 21.117 ( 0.000 -2.100 5.270) 5.673 21.358 ( 0.000 -3.639 -15.499) 15.920 21.358 ( 0.000 -3.639 15.499) 15.920 21.466 ( 0.000 0.227 -5.163) 5.168 21.466 ( 0.000 0.227 5.163) 5.168 22.047 ( 0.000 -3.393 -14.213) 14.612 22.047 ( 0.000 -3.393 14.213) 14.612 22.760 ( 0.000 1.852 -0.342) 1.884 22.760 ( 0.000 1.852 0.342) 1.884 23.029 ( 0.000 -0.842 -9.452) 9.489 23.029 ( 0.000 -0.842 9.452) 9.489 23.051 ( 0.000 0.070 -17.536) 17.536 23.051 ( 0.000 0.070 17.536) 17.536 23.240 ( 0.000 2.058 -5.069) 5.471 23.240 ( 0.000 2.058 5.069) 5.471 23.902 ( 0.000 0.112 -1.158) 1.164 23.902 ( 0.000 0.112 1.158) 1.164 23.913 ( 0.000 1.011 -3.926) 4.055 23.913 ( 0.000 1.011 3.926) 4.055 24.153 ( 0.000 -2.597 -21.263) 21.421 24.153 ( 0.000 -2.597 21.263) 21.421 24.523 ( 0.000 0.363 -5.983) 5.994 24.523 ( 0.000 0.363 5.983) 5.994 24.706 ( 0.000 -2.132 -6.706) 7.037 24.706 ( 0.000 -2.132 6.706) 7.037 25.004 ( 0.000 -0.105 -0.250) 0.271 25.004 ( 0.000 -0.105 0.250) 0.271 25.388 ( 0.000 0.706 -13.882) 13.900 25.388 ( 0.000 0.706 13.882) 13.900 25.628 ( 0.000 -0.345 -10.716) 10.721 25.628 ( 0.000 -0.345 10.716) 10.721 25.727 ( 0.000 0.230 -22.670) 22.671 25.727 ( 0.000 0.230 22.670) 22.671 26.001 ( 0.000 -0.103 -2.924) 2.926 26.001 ( 0.000 -0.103 2.924) 2.926 26.874 ( 0.000 0.001 -1.607) 1.607 26.874 ( 0.000 0.001 1.607) 1.607 27.155 ( 0.000 -1.679 -20.465) 20.534 27.155 ( 0.000 -1.679 20.465) 20.534 28.088 ( 0.000 -1.585 -11.388) 11.498 28.088 ( 0.000 -1.585 11.388) 11.498 28.384 ( 0.000 -6.336 -5.269) 8.241 28.384 ( 0.000 -6.336 5.269) 8.241 28.485 ( 0.000 -9.141 -2.411) 9.453 28.485 ( 0.000 -9.141 2.411) 9.453 28.851 ( 0.000 -0.852 -3.353) 3.459 28.851 ( 0.000 -0.852 3.353) 3.459 29.019 ( 0.000 -7.580 -1.967) 7.831 29.019 ( 0.000 -7.580 1.967) 7.831 29.577 ( 0.000 -0.374 -17.342) 17.346 29.577 ( 0.000 -0.374 17.342) 17.346 29.583 ( 0.000 -1.796 -9.070) 9.246 29.583 ( 0.000 -1.796 9.070) 9.246 30.155 ( 0.000 -6.452 -11.042) 12.789 30.155 ( 0.000 -6.452 11.042) 12.789 30.850 ( 0.000 -1.878 -5.904) 6.195 30.850 ( 0.000 -1.878 5.904) 6.195 30.853 ( 0.000 -2.446 -1.557) 2.899 30.853 ( 0.000 -2.446 1.557) 2.899 30.998 ( 0.000 -8.585 -2.268) 8.880 30.998 ( 0.000 -8.585 2.268) 8.880 31.261 ( 0.000 -0.271 -11.356) 11.359 31.261 ( 0.000 -0.271 11.356) 11.359 31.459 ( 0.000 -5.753 -8.932) 10.624 31.459 ( 0.000 -5.753 8.932) 10.624 31.752 ( 0.000 -3.113 -10.172) 10.638 31.752 ( 0.000 -3.113 10.172) 10.638 31.844 ( 0.000 -5.512 -4.773) 7.291 31.844 ( 0.000 -5.512 4.773) 7.291 32.318 ( 0.000 -4.683 -5.488) 7.214 32.318 ( 0.000 -4.683 5.488) 7.214 33.199 ( 0.000 -5.965 -12.872) 14.187 33.199 ( 0.000 -5.965 12.872) 14.187 33.232 ( 0.000 -1.096 -17.906) 17.940 33.232 ( 0.000 -1.096 17.906) 17.940 33.526 ( 0.000 -0.482 -3.357) 3.391 33.526 ( 0.000 -0.482 3.357) 3.391 34.398 ( 0.000 -0.250 -12.345) 12.347 34.398 ( 0.000 -0.250 12.345) 12.347 36.446 ( 0.000 -12.869 -46.735) 48.475 36.446 ( 0.000 -12.869 46.735) 48.475 ======================= Grid point 142 (47/54) ======================= q-point: ( 0.25 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 1.751 5.287 -10.958) 12.293 2.133 ( 1.751 5.287 10.958) 12.293 2.295 ( -1.403 10.217 -10.246) 14.537 2.295 ( -1.403 10.217 10.246) 14.537 2.553 ( 2.167 6.984 -7.960) 10.809 2.553 ( 2.167 6.984 7.960) 10.809 2.715 ( -3.594 6.678 -6.244) 9.823 2.715 ( -3.594 6.678 6.244) 9.823 2.877 ( 2.977 7.070 -1.465) 7.810 2.877 ( 2.977 7.070 1.465) 7.810 3.015 ( 5.319 1.475 -1.609) 5.750 3.015 ( 5.319 1.475 1.609) 5.750 3.214 ( -0.893 2.890 -5.999) 6.718 3.214 ( -0.893 2.890 5.999) 6.718 3.235 ( 8.537 3.325 -1.535) 9.290 3.235 ( 8.537 3.325 1.535) 9.290 3.356 ( -0.619 0.657 -2.892) 3.030 3.356 ( -0.619 0.657 2.892) 3.030 3.488 ( -0.715 1.887 -0.824) 2.179 3.488 ( -0.715 1.887 0.824) 2.179 3.634 ( -0.330 5.861 -5.847) 8.286 3.634 ( -0.330 5.861 5.847) 8.286 3.833 ( 3.688 2.070 -4.298) 6.030 3.833 ( 3.688 2.070 4.298) 6.030 4.044 ( -2.436 -5.248 -4.678) 7.441 4.044 ( -2.436 -5.248 4.678) 7.441 4.288 ( -1.033 -1.455 -3.222) 3.683 4.288 ( -1.033 -1.455 3.222) 3.683 4.412 ( -7.204 -2.267 -2.244) 7.879 4.412 ( -7.204 -2.267 2.244) 7.879 4.675 ( -7.958 -6.387 -1.621) 10.332 4.675 ( -7.958 -6.387 1.621) 10.332 5.173 ( 10.474 -1.858 -0.730) 10.663 5.173 ( 10.474 -1.858 0.730) 10.663 5.634 ( -5.695 -2.936 -3.016) 7.082 5.634 ( -5.695 -2.936 3.016) 7.082 6.296 ( 3.588 -1.694 -1.090) 4.114 6.296 ( 3.588 -1.694 1.090) 4.114 6.544 ( -1.617 -5.786 -6.999) 9.224 6.544 ( -1.617 -5.786 6.999) 9.224 6.793 ( 11.798 -2.342 -4.894) 12.985 6.793 ( 11.798 -2.342 4.894) 12.985 6.944 ( -2.201 -4.048 -1.829) 4.958 6.944 ( -2.201 -4.048 1.829) 4.958 7.051 ( 7.376 -5.457 -12.274) 15.324 7.051 ( 7.376 -5.457 12.274) 15.324 7.335 ( 7.980 -3.939 -5.475) 10.449 7.335 ( 7.980 -3.939 5.475) 10.449 7.557 ( -10.191 0.261 -20.218) 22.642 7.557 ( -10.191 0.261 20.218) 22.642 8.067 ( 0.755 0.112 -5.745) 5.795 8.067 ( 0.755 0.112 5.745) 5.795 8.143 ( -1.787 0.104 -7.668) 7.874 8.143 ( -1.787 0.104 7.668) 7.874 8.358 ( -5.555 -0.866 -6.568) 8.645 8.358 ( -5.555 -0.866 6.568) 8.645 8.552 ( -2.995 -0.850 -4.734) 5.666 8.552 ( -2.995 -0.850 4.734) 5.666 8.767 ( 6.072 -3.212 -9.621) 11.821 8.767 ( 6.072 -3.212 9.621) 11.821 9.036 ( -5.489 4.427 -4.918) 8.598 9.036 ( -5.489 4.427 4.918) 8.598 9.153 ( -3.181 0.917 -4.681) 5.734 9.153 ( -3.181 0.917 4.681) 5.734 9.601 ( 6.457 -0.923 -4.417) 7.877 9.601 ( 6.457 -0.923 4.417) 7.877 9.988 ( -8.127 -3.540 -10.585) 13.807 9.988 ( -8.127 -3.540 10.585) 13.807 10.069 ( -1.548 -0.338 -3.239) 3.606 10.069 ( -1.548 -0.338 3.239) 3.606 10.203 ( -14.698 -4.701 -10.454) 18.639 10.203 ( -14.698 -4.701 10.454) 18.639 10.659 ( 1.442 -3.654 -4.677) 6.108 10.659 ( 1.442 -3.654 4.677) 6.108 10.806 ( -2.049 -1.869 -4.873) 5.607 10.806 ( -2.049 -1.869 4.873) 5.607 10.992 ( -2.737 -2.693 -11.401) 12.030 10.992 ( -2.737 -2.693 11.401) 12.030 11.327 ( -0.487 -2.010 -2.609) 3.329 11.327 ( -0.487 -2.010 2.609) 3.329 11.462 ( 7.219 -4.736 -2.881) 9.102 11.462 ( 7.219 -4.736 2.881) 9.102 11.746 ( -2.419 -1.804 -12.082) 12.453 11.746 ( -2.419 -1.804 12.082) 12.453 12.100 ( -2.965 -0.617 -4.867) 5.733 12.100 ( -2.965 -0.617 4.867) 5.733 12.210 ( 5.909 -0.767 -4.333) 7.367 12.210 ( 5.909 -0.767 4.333) 7.367 12.340 ( 0.165 -0.151 -0.786) 0.817 12.340 ( 0.165 -0.151 0.786) 0.817 12.421 ( 7.352 0.891 -2.475) 7.809 12.421 ( 7.352 0.891 2.475) 7.809 12.568 ( -0.052 -0.396 -12.814) 12.821 12.568 ( -0.052 -0.396 12.814) 12.821 12.635 ( 2.292 1.041 -5.470) 6.021 12.635 ( 2.292 1.041 5.470) 6.021 12.922 ( -5.177 -1.027 -2.741) 5.948 12.922 ( -5.177 -1.027 2.741) 5.948 13.120 ( 2.549 1.736 -8.660) 9.193 13.120 ( 2.549 1.736 8.660) 9.193 13.269 ( -4.207 0.014 -9.760) 10.628 13.269 ( -4.207 0.014 9.760) 10.628 13.302 ( 1.507 -2.400 -4.579) 5.385 13.302 ( 1.507 -2.400 4.579) 5.385 13.679 ( 13.908 0.290 -7.244) 15.684 13.679 ( 13.908 0.290 7.244) 15.684 13.985 ( 7.713 2.599 -5.117) 9.614 13.985 ( 7.713 2.599 5.117) 9.614 14.243 ( 5.162 -0.476 -7.744) 9.319 14.243 ( 5.162 -0.476 7.744) 9.319 14.641 ( -8.051 -0.183 -19.679) 21.263 14.641 ( -8.051 -0.183 19.679) 21.263 14.833 ( 0.764 -1.328 -11.175) 11.280 14.833 ( 0.764 -1.328 11.175) 11.280 15.196 ( -0.319 0.262 -4.932) 4.949 15.196 ( -0.319 0.262 4.932) 4.949 15.302 ( 0.038 0.389 -1.797) 1.839 15.302 ( 0.038 0.389 1.797) 1.839 15.891 ( -0.221 2.598 -6.935) 7.408 15.891 ( -0.221 2.598 6.935) 7.408 16.064 ( -7.731 3.085 -2.349) 8.649 16.064 ( -7.731 3.085 2.349) 8.649 16.305 ( 3.009 1.392 -6.223) 7.051 16.305 ( 3.009 1.392 6.223) 7.051 16.780 ( -16.006 -0.447 -1.659) 16.098 16.780 ( -16.006 -0.447 1.659) 16.098 17.123 ( -9.307 -0.688 -9.221) 13.120 17.123 ( -9.307 -0.688 9.221) 13.120 17.805 ( 5.696 -0.747 -8.672) 10.402 17.805 ( 5.696 -0.747 8.672) 10.402 17.837 ( 2.336 -1.329 -15.134) 15.370 17.837 ( 2.336 -1.329 15.134) 15.370 18.046 ( 0.460 0.383 -8.294) 8.316 18.046 ( 0.460 0.383 8.294) 8.316 18.222 ( -6.306 -1.367 -0.436) 6.468 18.222 ( -6.306 -1.367 0.436) 6.468 18.396 ( 9.043 1.280 -2.972) 9.604 18.396 ( 9.043 1.280 2.972) 9.604 18.570 ( 1.342 1.686 -3.095) 3.771 18.570 ( 1.342 1.686 3.095) 3.771 18.694 ( 2.964 1.202 -2.722) 4.200 18.694 ( 2.964 1.202 2.722) 4.200 18.930 ( -0.926 -1.048 -4.859) 5.056 18.930 ( -0.926 -1.048 4.859) 5.056 19.073 ( 3.694 1.018 -3.282) 5.045 19.073 ( 3.694 1.018 3.282) 5.045 19.680 ( 6.822 0.979 -4.835) 8.419 19.680 ( 6.822 0.979 4.835) 8.419 19.899 ( 17.032 1.143 -9.886) 19.727 19.899 ( 17.032 1.143 9.886) 19.727 20.217 ( -8.282 0.248 -3.673) 9.064 20.217 ( -8.282 0.248 3.673) 9.064 20.624 ( -3.206 -1.082 -9.466) 10.053 20.624 ( -3.206 -1.082 9.466) 10.053 20.716 ( -5.103 -0.292 -1.691) 5.383 20.716 ( -5.103 -0.292 1.691) 5.383 20.964 ( -8.576 -0.339 -0.742) 8.615 20.964 ( -8.576 -0.339 0.742) 8.615 21.043 ( 0.468 -2.529 -4.037) 4.786 21.043 ( 0.468 -2.529 4.037) 4.786 21.269 ( 2.387 -1.677 -1.681) 3.367 21.269 ( 2.387 -1.677 1.681) 3.367 21.448 ( -5.438 -3.382 -4.382) 7.760 21.448 ( -5.438 -3.382 4.382) 7.760 22.208 ( 10.605 -0.365 -3.879) 11.298 22.208 ( 10.605 -0.365 3.879) 11.298 22.664 ( -7.759 -0.740 -8.040) 11.198 22.664 ( -7.759 -0.740 8.040) 11.198 22.888 ( -6.819 0.627 -10.364) 12.421 22.888 ( -6.819 0.627 10.364) 12.421 23.128 ( 4.877 -0.243 -6.614) 8.221 23.128 ( 4.877 -0.243 6.614) 8.221 23.351 ( 6.751 1.937 -1.446) 7.171 23.351 ( 6.751 1.937 1.446) 7.171 23.832 ( -6.571 0.555 -7.513) 9.997 23.832 ( -6.571 0.555 7.513) 9.997 23.908 ( 0.332 0.097 -2.307) 2.333 23.908 ( 0.332 0.097 2.307) 2.333 24.095 ( -3.337 -0.294 -10.914) 11.416 24.095 ( -3.337 -0.294 10.914) 11.416 24.406 ( -10.577 -0.983 -3.212) 11.097 24.406 ( -10.577 -0.983 3.212) 11.097 24.726 ( 7.905 1.388 -6.466) 10.307 24.726 ( 7.905 1.388 6.466) 10.307 25.214 ( 1.212 1.494 -11.043) 11.209 25.214 ( 1.212 1.494 11.043) 11.209 25.305 ( -2.817 -0.740 -5.045) 5.825 25.305 ( -2.817 -0.740 5.045) 5.825 25.802 ( 27.333 -5.220 -2.578) 27.946 25.802 ( 27.333 -5.220 2.578) 27.946 25.867 ( 4.824 -0.977 -4.274) 6.519 25.867 ( 4.824 -0.977 4.274) 6.519 26.202 ( 19.887 -0.623 -15.340) 25.123 26.202 ( 19.887 -0.623 15.340) 25.123 26.873 ( -0.507 -0.190 -1.211) 1.327 26.873 ( -0.507 -0.190 1.211) 1.327 27.064 ( -8.307 -1.994 -19.946) 21.698 27.064 ( -8.307 -1.994 19.946) 21.698 27.767 ( -37.183 -10.893 -9.488) 39.891 27.767 ( -37.183 -10.893 9.488) 39.891 28.233 ( 5.153 -1.536 -10.587) 11.874 28.233 ( 5.153 -1.536 10.587) 11.874 28.561 ( -0.262 -6.376 -7.879) 10.139 28.561 ( -0.262 -6.376 7.879) 10.139 28.751 ( -8.862 -3.747 -1.539) 9.744 28.751 ( -8.862 -3.747 1.539) 9.744 29.177 ( 10.249 -3.488 -2.756) 11.171 29.177 ( 10.249 -3.488 2.756) 11.171 29.409 ( -4.284 -1.135 -5.241) 6.864 29.409 ( -4.284 -1.135 5.241) 6.864 29.801 ( 3.800 -3.180 -2.091) 5.378 29.801 ( 3.800 -3.180 2.091) 5.378 30.180 ( 6.848 -4.494 -3.711) 8.992 30.180 ( 6.848 -4.494 3.711) 8.992 30.767 ( -2.441 -1.300 -1.109) 2.979 30.767 ( -2.441 -1.300 1.109) 2.979 30.906 ( -0.043 -1.961 -3.762) 4.243 30.906 ( -0.043 -1.961 3.762) 4.243 31.001 ( -1.155 -6.039 -1.973) 6.457 31.001 ( -1.155 -6.039 1.973) 6.457 31.306 ( -0.025 -6.400 -4.285) 7.702 31.306 ( -0.025 -6.400 4.285) 7.702 31.401 ( 0.682 -3.319 -6.605) 7.424 31.401 ( 0.682 -3.319 6.605) 7.424 31.766 ( 1.749 -3.410 -4.389) 5.827 31.766 ( 1.749 -3.410 4.389) 5.827 31.901 ( 2.812 -4.666 -2.542) 6.011 31.901 ( 2.812 -4.666 2.542) 6.011 32.295 ( -2.181 -4.305 -4.087) 6.324 32.295 ( -2.181 -4.305 4.087) 6.324 32.899 ( -14.724 -3.880 -9.900) 18.162 32.899 ( -14.724 -3.880 9.900) 18.162 33.316 ( 1.348 -3.913 -6.080) 7.355 33.316 ( 1.348 -3.913 6.080) 7.355 33.618 ( 3.957 -0.363 -4.410) 5.936 33.618 ( 3.957 -0.363 4.410) 5.936 34.684 ( 25.286 -1.873 -17.581) 30.854 34.684 ( 25.286 -1.873 17.581) 30.854 36.218 ( -20.928 -9.318 -39.571) 45.724 36.218 ( -20.928 -9.318 39.571) 45.724 ======================= Grid point 144 (48/54) ======================= q-point: (-0.50 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 2.406 -9.859) 10.148 2.160 ( 0.000 2.406 9.859) 10.148 2.273 ( 0.000 11.282 -8.609) 14.192 2.273 ( 0.000 11.282 8.609) 14.192 2.596 ( -0.000 8.514 -8.813) 12.254 2.596 ( 0.000 8.514 8.813) 12.254 2.657 ( 0.000 2.702 -1.364) 3.027 2.657 ( 0.000 2.702 1.364) 3.027 2.908 ( -0.000 8.594 -3.984) 9.473 2.908 ( -0.000 8.594 3.984) 9.473 3.105 ( 0.000 2.693 -1.556) 3.111 3.105 ( -0.000 2.693 1.556) 3.111 3.194 ( 0.000 -0.046 -1.737) 1.737 3.194 ( 0.000 -0.046 1.737) 1.737 3.321 ( -0.000 1.603 -0.938) 1.858 3.321 ( -0.000 1.603 0.938) 1.858 3.340 ( 0.000 3.379 -0.309) 3.393 3.340 ( 0.000 3.379 0.309) 3.393 3.501 ( 0.000 2.958 -0.997) 3.122 3.501 ( 0.000 2.958 0.997) 3.122 3.671 ( -0.000 1.904 -6.637) 6.904 3.671 ( -0.000 1.904 6.637) 6.904 3.866 ( 0.000 7.624 -5.004) 9.119 3.866 ( -0.000 7.624 5.004) 9.119 3.973 ( 0.000 -5.262 -7.271) 8.975 3.973 ( 0.000 -5.262 7.271) 8.975 4.230 ( 0.000 5.118 -3.628) 6.274 4.230 ( 0.000 5.118 3.628) 6.274 4.404 ( 0.000 -6.030 -0.287) 6.037 4.404 ( 0.000 -6.030 0.287) 6.037 4.566 ( 0.000 -7.051 -1.931) 7.311 4.566 ( -0.000 -7.051 1.931) 7.311 5.295 ( 0.000 -2.820 -3.666) 4.625 5.295 ( 0.000 -2.820 3.666) 4.625 5.556 ( -0.000 -3.854 -2.324) 4.500 5.556 ( -0.000 -3.854 2.324) 4.500 6.319 ( 0.000 -5.931 -1.435) 6.102 6.319 ( 0.000 -5.931 1.435) 6.102 6.561 ( 0.000 -4.005 -8.081) 9.019 6.561 ( 0.000 -4.005 8.081) 9.019 6.796 ( -0.000 -0.746 -1.283) 1.484 6.796 ( 0.000 -0.746 1.283) 1.484 7.013 ( 0.000 -0.963 -8.576) 8.630 7.013 ( 0.000 -0.963 8.576) 8.630 7.184 ( -0.000 -6.513 -13.298) 14.808 7.184 ( -0.000 -6.513 13.298) 14.808 7.434 ( 0.000 0.523 -5.180) 5.206 7.434 ( 0.000 0.523 5.180) 5.206 7.559 ( -0.000 -3.812 -1.898) 4.258 7.559 ( -0.000 -3.812 1.898) 4.258 7.866 ( 0.000 -0.695 -1.078) 1.282 7.866 ( 0.000 -0.695 1.078) 1.282 8.177 ( 0.000 -4.419 -3.889) 5.887 8.177 ( 0.000 -4.419 3.889) 5.887 8.310 ( 0.000 2.064 -7.045) 7.341 8.310 ( 0.000 2.064 7.045) 7.341 8.540 ( 0.000 1.719 -6.958) 7.167 8.540 ( 0.000 1.719 6.958) 7.167 8.826 ( 0.000 1.426 -1.226) 1.881 8.826 ( 0.000 1.426 1.226) 1.881 8.984 ( -0.000 -2.301 -1.087) 2.545 8.984 ( -0.000 -2.301 1.087) 2.545 9.098 ( 0.000 -2.269 -3.636) 4.286 9.098 ( 0.000 -2.269 3.636) 4.286 9.666 ( 0.000 -3.010 -4.228) 5.190 9.666 ( 0.000 -3.010 4.228) 5.190 9.771 ( -0.000 0.564 -3.149) 3.199 9.771 ( -0.000 0.564 3.149) 3.199 9.995 ( -0.000 -0.941 -6.778) 6.843 9.995 ( -0.000 -0.941 6.778) 6.843 10.192 ( 0.000 -2.301 -0.844) 2.451 10.192 ( 0.000 -2.301 0.844) 2.451 10.712 ( 0.000 -4.621 -7.638) 8.928 10.712 ( 0.000 -4.621 7.638) 8.928 10.810 ( -0.000 -0.946 -3.378) 3.508 10.810 ( 0.000 -0.946 3.378) 3.508 10.935 ( 0.000 -4.722 -5.816) 7.492 10.935 ( 0.000 -4.722 5.816) 7.492 11.313 ( 0.000 -1.701 -3.762) 4.129 11.313 ( -0.000 -1.701 3.762) 4.129 11.520 ( 0.000 -1.995 -5.683) 6.022 11.520 ( 0.000 -1.995 5.683) 6.022 11.708 ( -0.000 -1.927 -5.218) 5.563 11.708 ( -0.000 -1.927 5.218) 5.563 12.061 ( 0.000 -0.311 -7.612) 7.618 12.061 ( 0.000 -0.311 7.612) 7.618 12.296 ( 0.000 1.032 -0.317) 1.080 12.296 ( 0.000 1.032 0.317) 1.080 12.391 ( 0.000 -2.792 -8.500) 8.947 12.391 ( 0.000 -2.792 8.500) 8.947 12.444 ( -0.000 0.779 -2.398) 2.521 12.444 ( -0.000 0.779 2.398) 2.521 12.580 ( 0.000 -2.315 -4.240) 4.830 12.580 ( 0.000 -2.315 4.240) 4.830 12.690 ( 0.000 0.960 -2.510) 2.688 12.690 ( 0.000 0.960 2.510) 2.688 12.839 ( -0.000 0.359 -2.574) 2.598 12.839 ( 0.000 0.359 2.574) 2.598 13.149 ( 0.000 2.943 -3.369) 4.474 13.149 ( 0.000 2.943 3.369) 4.474 13.237 ( 0.000 0.965 -5.939) 6.017 13.237 ( 0.000 0.965 5.939) 6.017 13.327 ( 0.000 -2.516 -2.007) 3.219 13.327 ( -0.000 -2.516 2.007) 3.219 13.821 ( -0.000 1.693 -3.031) 3.472 13.821 ( -0.000 1.693 3.031) 3.472 14.018 ( 0.000 1.042 -0.797) 1.312 14.018 ( 0.000 1.042 0.797) 1.312 14.378 ( 0.000 -2.308 -1.103) 2.558 14.378 ( 0.000 -2.308 1.103) 2.558 14.552 ( -0.000 -0.369 -6.228) 6.239 14.552 ( -0.000 -0.369 6.228) 6.239 14.839 ( 0.000 -0.369 -7.731) 7.740 14.839 ( -0.000 -0.369 7.731) 7.740 15.142 ( -0.000 -0.793 -1.469) 1.669 15.142 ( 0.000 -0.793 1.469) 1.669 15.364 ( -0.000 1.668 -0.801) 1.850 15.364 ( 0.000 1.668 0.801) 1.850 15.867 ( 0.000 3.800 -11.520) 12.131 15.867 ( 0.000 3.800 11.520) 12.131 16.057 ( 0.000 1.882 -2.136) 2.847 16.057 ( 0.000 1.882 2.136) 2.847 16.193 ( -0.000 0.494 -5.647) 5.669 16.193 ( -0.000 0.494 5.647) 5.669 16.652 ( 0.000 0.064 -1.756) 1.757 16.652 ( 0.000 0.064 1.756) 1.757 17.012 ( 0.000 -0.098 -1.574) 1.577 17.012 ( 0.000 -0.098 1.574) 1.577 17.823 ( 0.000 -2.617 -11.087) 11.391 17.823 ( 0.000 -2.617 11.087) 11.391 17.936 ( 0.000 -0.540 -1.986) 2.058 17.936 ( -0.000 -0.540 1.986) 2.058 18.036 ( -0.000 -0.832 -3.971) 4.058 18.036 ( 0.000 -0.832 3.971) 4.058 18.117 ( 0.000 -0.695 -4.769) 4.819 18.117 ( 0.000 -0.695 4.769) 4.819 18.520 ( 0.000 2.425 -2.116) 3.218 18.520 ( -0.000 2.425 2.116) 3.218 18.577 ( -0.000 2.733 -5.161) 5.840 18.577 ( 0.000 2.733 5.161) 5.840 18.732 ( -0.000 0.472 -0.861) 0.982 18.732 ( 0.000 0.472 0.861) 0.982 18.919 ( 0.000 -2.668 -0.364) 2.693 18.919 ( 0.000 -2.668 0.364) 2.693 19.119 ( 0.000 1.923 -4.595) 4.981 19.119 ( 0.000 1.923 4.595) 4.981 19.802 ( 0.000 -0.894 -0.686) 1.126 19.802 ( -0.000 -0.894 0.686) 1.126 20.028 ( 0.000 1.147 -0.027) 1.148 20.028 ( 0.000 1.147 0.027) 1.148 20.286 ( -0.000 1.961 -2.978) 3.566 20.286 ( 0.000 1.961 2.978) 3.566 20.448 ( 0.000 -0.667 -4.955) 5.000 20.448 ( -0.000 -0.667 4.955) 5.000 20.618 ( 0.000 -1.108 -0.176) 1.121 20.618 ( 0.000 -1.108 0.176) 1.121 20.840 ( 0.000 -1.911 -2.748) 3.347 20.840 ( 0.000 -1.911 2.748) 3.347 21.176 ( 0.000 -1.074 -3.582) 3.739 21.176 ( 0.000 -1.074 3.582) 3.739 21.303 ( 0.000 -1.361 -4.392) 4.598 21.303 ( -0.000 -1.361 4.392) 4.598 21.322 ( -0.000 -1.824 -5.354) 5.656 21.322 ( 0.000 -1.824 5.354) 5.656 22.310 ( -0.000 -2.013 -4.656) 5.073 22.310 ( -0.000 -2.013 4.656) 5.073 22.577 ( 0.000 0.755 -3.700) 3.776 22.577 ( 0.000 0.755 3.700) 3.776 22.830 ( 0.000 0.979 -0.797) 1.263 22.830 ( 0.000 0.979 0.797) 1.263 23.186 ( 0.000 -1.668 -0.434) 1.724 23.186 ( -0.000 -1.668 0.434) 1.724 23.426 ( -0.000 2.095 -0.362) 2.126 23.426 ( -0.000 2.095 0.362) 2.126 23.746 ( 0.000 0.725 -0.462) 0.860 23.746 ( 0.000 0.725 0.462) 0.860 23.912 ( 0.000 0.108 -2.482) 2.484 23.912 ( 0.000 0.108 2.482) 2.484 24.060 ( 0.000 0.788 -3.015) 3.116 24.060 ( 0.000 0.788 3.015) 3.116 24.291 ( 0.000 -0.798 -1.614) 1.801 24.291 ( 0.000 -0.798 1.614) 1.801 24.829 ( 0.000 2.111 -1.078) 2.370 24.829 ( -0.000 2.111 1.078) 2.370 25.146 ( 0.000 2.758 -0.643) 2.832 25.146 ( 0.000 2.758 0.643) 2.832 25.317 ( 0.000 -1.373 -1.277) 1.875 25.317 ( 0.000 -1.373 1.277) 1.875 25.863 ( 0.000 0.076 -1.094) 1.097 25.863 ( 0.000 0.076 1.094) 1.097 26.364 ( 0.000 -9.053 -8.516) 12.429 26.364 ( 0.000 -9.053 8.516) 12.429 26.511 ( 0.000 -0.575 -0.233) 0.621 26.511 ( -0.000 -0.575 0.233) 0.621 26.814 ( -0.000 -1.528 -10.689) 10.798 26.814 ( 0.000 -1.528 10.689) 10.798 27.017 ( 0.000 -6.206 -2.263) 6.605 27.017 ( -0.000 -6.206 2.263) 6.605 27.099 ( -0.000 -9.988 -2.098) 10.206 27.099 ( 0.000 -9.988 2.098) 10.206 28.356 ( -0.000 -1.069 -9.990) 10.047 28.356 ( -0.000 -1.069 9.990) 10.047 28.515 ( 0.000 -2.677 -1.263) 2.960 28.515 ( 0.000 -2.677 1.263) 2.960 28.627 ( 0.000 -8.869 -3.692) 9.607 28.627 ( 0.000 -8.869 3.692) 9.607 29.288 ( 0.000 -0.882 -2.990) 3.117 29.288 ( 0.000 -0.882 2.990) 3.117 29.389 ( -0.000 -1.655 -4.339) 4.644 29.389 ( -0.000 -1.655 4.339) 4.644 29.776 ( -0.000 -4.647 -1.319) 4.830 29.776 ( -0.000 -4.647 1.319) 4.830 30.323 ( 0.000 -2.148 -1.893) 2.863 30.323 ( 0.000 -2.148 1.893) 2.863 30.762 ( 0.000 0.218 -0.853) 0.880 30.762 ( 0.000 0.218 0.853) 0.880 30.868 ( 0.000 -3.703 -1.752) 4.097 30.868 ( -0.000 -3.703 1.752) 4.097 30.969 ( -0.000 -4.433 -1.458) 4.667 30.969 ( 0.000 -4.433 1.458) 4.667 31.269 ( 0.000 -9.340 -3.258) 9.892 31.269 ( 0.000 -9.340 3.258) 9.892 31.474 ( -0.000 -2.151 -4.403) 4.900 31.474 ( -0.000 -2.151 4.403) 4.900 31.788 ( 0.000 -3.588 -1.110) 3.756 31.788 ( 0.000 -3.588 1.110) 3.756 31.919 ( 0.000 -4.389 -6.621) 7.944 31.919 ( 0.000 -4.389 6.621) 7.944 32.262 ( 0.000 -3.634 -1.177) 3.820 32.262 ( -0.000 -3.634 1.177) 3.820 32.746 ( 0.000 -4.783 -0.522) 4.811 32.746 ( 0.000 -4.783 0.522) 4.811 33.328 ( 0.000 -4.100 -4.632) 6.186 33.328 ( 0.000 -4.100 4.632) 6.186 33.650 ( 0.000 -0.117 -2.543) 2.546 33.650 ( 0.000 -0.117 2.543) 2.546 35.078 ( -0.000 -5.932 -16.318) 17.363 35.078 ( 0.000 -5.932 16.318) 17.363 35.875 ( 0.000 -3.379 -11.498) 11.984 35.875 ( -0.000 -3.379 11.498) 11.984 ======================= Grid point 150 (49/54) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.000 3.593 -4.164) 5.500 2.222 ( 0.000 3.593 4.164) 5.500 2.403 ( 0.000 2.109 -13.617) 13.780 2.403 ( 0.000 2.109 13.617) 13.780 2.667 ( 0.000 6.202 -6.749) 9.166 2.667 ( 0.000 6.202 6.749) 9.166 2.867 ( 0.000 2.587 -3.276) 4.174 2.867 ( 0.000 2.587 3.276) 4.174 2.961 ( 0.000 2.095 -4.386) 4.860 2.961 ( 0.000 2.095 4.386) 4.860 3.157 ( 0.000 4.399 -2.357) 4.991 3.157 ( 0.000 4.399 2.357) 4.991 3.175 ( 0.000 14.021 -2.754) 14.289 3.175 ( 0.000 14.021 2.754) 14.289 3.296 ( 0.000 4.737 -8.351) 9.601 3.296 ( 0.000 4.737 8.351) 9.601 3.336 ( 0.000 -2.087 -3.286) 3.893 3.336 ( 0.000 -2.087 3.286) 3.893 3.525 ( 0.000 -0.365 -2.420) 2.448 3.525 ( 0.000 -0.365 2.420) 2.448 3.699 ( 0.000 -1.545 -5.957) 6.154 3.699 ( 0.000 -1.545 5.957) 6.154 3.867 ( 0.000 6.236 -4.196) 7.516 3.867 ( 0.000 6.236 4.196) 7.516 4.018 ( 0.000 -0.272 -3.094) 3.106 4.018 ( 0.000 -0.272 3.094) 3.106 4.188 ( 0.000 -2.203 -5.426) 5.856 4.188 ( 0.000 -2.203 5.426) 5.856 4.398 ( 0.000 -5.727 -6.961) 9.014 4.398 ( 0.000 -5.727 6.961) 9.014 4.741 ( 0.000 -3.535 -6.069) 7.024 4.741 ( 0.000 -3.535 6.069) 7.024 5.006 ( 0.000 -0.196 -2.938) 2.945 5.006 ( 0.000 -0.196 2.938) 2.945 5.661 ( 0.000 -1.730 -1.617) 2.368 5.661 ( 0.000 -1.730 1.617) 2.368 6.233 ( 0.000 0.254 -10.591) 10.594 6.233 ( 0.000 0.254 10.591) 10.594 6.438 ( 0.000 -7.863 -3.697) 8.689 6.438 ( 0.000 -7.863 3.698) 8.689 6.633 ( 0.000 -4.641 -19.659) 20.200 6.633 ( 0.000 -4.641 19.659) 20.200 6.709 ( 0.000 -1.226 -4.827) 4.980 6.709 ( 0.000 -1.226 4.827) 4.980 6.984 ( 0.000 -5.300 -15.597) 16.473 6.984 ( 0.000 -5.300 15.597) 16.473 7.174 ( 0.000 -3.358 -15.936) 16.286 7.174 ( 0.000 -3.358 15.936) 16.286 7.844 ( 0.000 -0.179 -7.461) 7.463 7.844 ( 0.000 -0.179 7.461) 7.463 7.861 ( 0.000 1.906 -14.070) 14.198 7.861 ( 0.000 1.906 14.070) 14.198 8.125 ( 0.000 -9.233 -7.312) 11.778 8.125 ( 0.000 -9.233 7.312) 11.778 8.433 ( 0.000 1.699 -14.582) 14.681 8.433 ( 0.000 1.699 14.582) 14.681 8.540 ( 0.000 -1.111 -4.691) 4.821 8.540 ( 0.000 -1.111 4.691) 4.821 8.690 ( 0.000 -2.602 -12.443) 12.713 8.690 ( 0.000 -2.602 12.443) 12.713 9.063 ( 0.000 1.788 -10.700) 10.848 9.063 ( 0.000 1.788 10.700) 10.848 9.297 ( 0.000 -1.155 -6.294) 6.399 9.297 ( 0.000 -1.155 6.294) 6.399 9.511 ( 0.000 2.708 -2.521) 3.700 9.511 ( 0.000 2.708 2.521) 3.700 9.835 ( 0.000 -0.855 -1.171) 1.450 9.835 ( 0.000 -0.855 1.171) 1.450 10.184 ( 0.000 -0.259 -3.638) 3.647 10.184 ( 0.000 -0.259 3.638) 3.647 10.474 ( 0.000 -0.176 -7.523) 7.525 10.474 ( 0.000 -0.177 7.523) 7.525 10.576 ( 0.000 -4.773 -9.521) 10.650 10.576 ( 0.000 -4.773 9.521) 10.650 10.905 ( 0.000 0.382 -14.883) 14.888 10.905 ( 0.000 0.382 14.883) 14.888 10.922 ( 0.000 -3.822 -8.917) 9.702 10.922 ( 0.000 -3.822 8.917) 9.702 11.081 ( 0.000 -6.385 -5.118) 8.183 11.081 ( 0.000 -6.385 5.118) 8.183 11.360 ( 0.000 -0.345 -3.010) 3.030 11.360 ( 0.000 -0.345 3.010) 3.030 11.738 ( 0.000 -0.680 -14.797) 14.813 11.738 ( 0.000 -0.680 14.797) 14.813 12.104 ( 0.000 -1.349 -10.500) 10.586 12.104 ( 0.000 -1.349 10.500) 10.586 12.132 ( 0.000 -2.712 -8.303) 8.735 12.132 ( 0.000 -2.712 8.303) 8.735 12.284 ( 0.000 1.698 -4.552) 4.858 12.284 ( 0.000 1.698 4.552) 4.858 12.452 ( 0.000 0.821 -7.524) 7.569 12.452 ( 0.000 0.821 7.524) 7.569 12.567 ( 0.000 0.042 -15.663) 15.663 12.567 ( 0.000 0.042 15.663) 15.663 12.595 ( 0.000 0.501 -13.918) 13.927 12.595 ( 0.000 0.501 13.918) 13.927 12.961 ( 0.000 2.235 -6.661) 7.026 12.961 ( 0.000 2.235 6.661) 7.026 13.092 ( 0.000 -3.854 -6.292) 7.378 13.092 ( 0.000 -3.854 6.292) 7.378 13.225 ( 0.000 -3.970 -2.776) 4.844 13.225 ( 0.000 -3.970 2.776) 4.844 13.360 ( 0.000 2.643 -11.309) 11.614 13.360 ( 0.000 2.643 11.309) 11.614 13.462 ( 0.000 -0.202 -1.370) 1.385 13.462 ( 0.000 -0.202 1.370) 1.385 13.880 ( 0.000 1.678 -11.221) 11.346 13.880 ( 0.000 1.678 11.221) 11.346 14.296 ( 0.000 2.936 -10.701) 11.096 14.296 ( 0.000 2.936 10.701) 11.096 14.717 ( 0.000 -2.615 -21.511) 21.670 14.717 ( 0.000 -2.615 21.511) 21.670 14.805 ( 0.000 1.034 -19.885) 19.912 14.805 ( 0.000 1.034 19.885) 19.912 15.146 ( 0.000 -1.214 -11.573) 11.636 15.146 ( 0.000 -1.214 11.573) 11.636 15.359 ( 0.000 0.994 -8.992) 9.047 15.359 ( 0.000 0.994 8.992) 9.047 16.034 ( 0.000 0.879 -15.900) 15.925 16.034 ( 0.000 0.879 15.900) 15.925 16.048 ( 0.000 -0.715 -0.542) 0.897 16.048 ( 0.000 -0.715 0.542) 0.897 16.304 ( 0.000 3.076 -11.423) 11.830 16.304 ( 0.000 3.076 11.423) 11.830 17.113 ( 0.000 -1.289 -12.874) 12.938 17.113 ( 0.000 -1.289 12.874) 12.938 17.132 ( 0.000 0.103 -3.255) 3.256 17.132 ( 0.000 0.103 3.255) 3.256 17.680 ( 0.000 0.359 -17.435) 17.438 17.680 ( 0.000 0.359 17.435) 17.438 17.853 ( 0.000 -1.430 -18.875) 18.929 17.853 ( 0.000 -1.430 18.875) 18.929 18.044 ( 0.000 2.402 -9.006) 9.320 18.044 ( 0.000 2.402 9.006) 9.320 18.246 ( 0.000 -0.055 -2.451) 2.451 18.246 ( 0.000 -0.055 2.451) 2.451 18.320 ( 0.000 -1.542 -6.749) 6.922 18.320 ( 0.000 -1.542 6.749) 6.922 18.538 ( 0.000 0.210 -2.240) 2.250 18.538 ( 0.000 0.210 2.240) 2.250 18.698 ( 0.000 1.359 -1.884) 2.323 18.698 ( 0.000 1.359 1.884) 2.323 18.961 ( 0.000 0.363 -8.134) 8.143 18.961 ( 0.000 0.363 8.134) 8.143 19.018 ( 0.000 0.244 -4.671) 4.678 19.018 ( 0.000 0.244 4.671) 4.678 19.644 ( 0.000 1.516 -5.255) 5.469 19.644 ( 0.000 1.516 5.255) 5.469 19.721 ( 0.000 0.135 -7.831) 7.832 19.721 ( 0.000 0.135 7.831) 7.832 20.309 ( 0.000 0.128 -7.853) 7.854 20.309 ( 0.000 0.128 7.853) 7.854 20.623 ( 0.000 -0.271 -8.476) 8.480 20.623 ( 0.000 -0.271 8.476) 8.480 20.823 ( 0.000 -1.994 -10.392) 10.582 20.823 ( 0.000 -1.994 10.392) 10.582 20.860 ( 0.000 0.146 -7.925) 7.926 20.860 ( 0.000 0.146 7.925) 7.926 21.077 ( 0.000 -1.723 -5.513) 5.776 21.077 ( 0.000 -1.723 5.513) 5.776 21.302 ( 0.000 -1.970 -14.338) 14.473 21.302 ( 0.000 -1.970 14.338) 14.473 21.470 ( 0.000 0.149 -4.612) 4.615 21.470 ( 0.000 0.149 4.612) 4.615 22.011 ( 0.000 -0.653 -11.876) 11.894 22.011 ( 0.000 -0.653 11.876) 11.894 22.791 ( 0.000 1.066 -1.176) 1.587 22.791 ( 0.000 1.066 1.176) 1.587 23.024 ( 0.000 0.240 -6.976) 6.980 23.024 ( 0.000 0.240 6.976) 6.980 23.059 ( 0.000 0.529 -15.839) 15.848 23.059 ( 0.000 0.529 15.839) 15.848 23.282 ( 0.000 2.029 -3.540) 4.081 23.282 ( 0.000 2.029 3.540) 4.081 23.907 ( 0.000 0.346 -1.348) 1.391 23.907 ( 0.000 0.346 1.348) 1.391 23.927 ( 0.000 0.428 -11.896) 11.904 23.927 ( 0.000 0.428 11.896) 11.904 24.136 ( 0.000 0.421 -12.923) 12.929 24.136 ( 0.000 0.421 12.923) 12.929 24.532 ( 0.000 0.459 -6.045) 6.063 24.532 ( 0.000 0.459 6.045) 6.063 24.682 ( 0.000 -0.574 -5.733) 5.762 24.682 ( 0.000 -0.574 5.733) 5.762 25.002 ( 0.000 -0.062 -0.290) 0.297 25.002 ( 0.000 -0.062 0.290) 0.297 25.413 ( 0.000 1.385 -15.899) 15.959 25.413 ( 0.000 1.385 15.899) 15.959 25.626 ( 0.000 0.088 -12.034) 12.034 25.626 ( 0.000 0.088 12.034) 12.034 25.732 ( 0.000 0.176 -22.278) 22.279 25.732 ( 0.000 0.176 22.278) 22.279 26.000 ( 0.000 -0.053 -2.017) 2.017 26.000 ( 0.000 -0.053 2.017) 2.017 26.874 ( 0.000 -0.001 -1.696) 1.696 26.874 ( 0.000 -0.001 1.696) 1.696 27.123 ( 0.000 -1.367 -19.338) 19.386 27.123 ( 0.000 -1.367 19.338) 19.386 28.049 ( 0.000 -2.196 -10.354) 10.584 28.049 ( 0.000 -2.196 10.354) 10.584 28.284 ( 0.000 -3.681 -2.612) 4.514 28.284 ( 0.000 -3.681 2.612) 4.514 28.338 ( 0.000 -5.216 -0.648) 5.256 28.338 ( 0.000 -5.216 0.648) 5.256 28.837 ( 0.000 -0.565 -2.878) 2.932 28.837 ( 0.000 -0.565 2.878) 2.932 28.882 ( 0.000 -5.729 -2.004) 6.069 28.882 ( 0.000 -5.729 2.004) 6.069 29.555 ( 0.000 -0.979 -8.380) 8.437 29.555 ( 0.000 -0.979 8.380) 8.437 29.570 ( 0.000 -0.262 -17.341) 17.343 29.570 ( 0.000 -0.262 17.341) 17.343 30.054 ( 0.000 -3.627 -10.240) 10.863 30.054 ( 0.000 -3.627 10.240) 10.863 30.804 ( 0.000 -2.858 -4.078) 4.980 30.804 ( 0.000 -2.858 4.078) 4.980 30.818 ( 0.000 -1.144 -2.361) 2.624 30.818 ( 0.000 -1.144 2.361) 2.624 30.869 ( 0.000 -3.820 -2.220) 4.419 30.869 ( 0.000 -3.820 2.220) 4.419 31.252 ( 0.000 -0.528 -11.725) 11.737 31.252 ( 0.000 -0.528 11.725) 11.737 31.370 ( 0.000 -3.333 -7.865) 8.542 31.370 ( 0.000 -3.333 7.865) 8.542 31.699 ( 0.000 -2.089 -11.748) 11.932 31.699 ( 0.000 -2.089 11.748) 11.932 31.759 ( 0.000 -3.152 -2.645) 4.115 31.759 ( 0.000 -3.152 2.645) 4.115 32.247 ( 0.000 -2.474 -4.113) 4.799 32.247 ( 0.000 -2.474 4.113) 4.799 33.087 ( 0.000 -4.948 -14.153) 14.993 33.087 ( 0.000 -4.948 14.153) 14.993 33.171 ( 0.000 -3.990 -17.139) 17.598 33.171 ( 0.000 -3.990 17.139) 17.598 33.510 ( 0.000 -0.946 -2.746) 2.905 33.510 ( 0.000 -0.946 2.746) 2.905 34.356 ( 0.000 -3.124 -10.271) 10.736 34.356 ( 0.000 -3.124 10.271) 10.736 36.134 ( 0.000 -15.602 -34.610) 37.964 36.134 ( 0.000 -15.602 34.610) 37.964 ======================= Grid point 152 (50/54) ======================= q-point: ( 0.25 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -0.854 3.209 -5.965) 6.827 2.204 ( -0.854 3.209 5.965) 6.827 2.439 ( 2.352 2.899 -7.498) 8.376 2.439 ( 2.352 2.899 7.498) 8.376 2.667 ( 0.260 5.790 -5.264) 7.830 2.667 ( 0.260 5.790 5.264) 7.830 2.868 ( -3.075 5.406 -7.490) 9.736 2.868 ( -3.075 5.406 7.490) 9.736 2.971 ( 2.306 1.318 -2.061) 3.362 2.971 ( 2.306 1.318 2.061) 3.362 3.118 ( 2.827 9.297 -2.048) 9.931 3.118 ( 2.827 9.297 2.048) 9.931 3.239 ( -0.386 1.779 -2.263) 2.904 3.239 ( -0.386 1.779 2.263) 2.904 3.318 ( 1.706 1.451 -1.360) 2.621 3.318 ( 1.706 1.451 1.360) 2.621 3.398 ( 5.642 4.757 -1.995) 7.645 3.398 ( 5.642 4.757 1.995) 7.645 3.515 ( -0.158 0.739 -2.282) 2.404 3.515 ( -0.158 0.739 2.282) 2.404 3.688 ( -0.035 0.277 -5.762) 5.768 3.688 ( -0.035 0.277 5.762) 5.768 3.891 ( -0.949 1.002 -4.560) 4.764 3.891 ( -0.949 1.002 4.560) 4.764 3.992 ( 0.755 0.552 -2.128) 2.324 3.992 ( 0.755 0.552 2.128) 2.324 4.236 ( 3.767 -0.425 -4.660) 6.008 4.236 ( 3.767 -0.425 4.660) 6.008 4.385 ( -1.407 -1.916 -5.799) 6.267 4.385 ( -1.407 -1.916 5.799) 6.267 4.582 ( -11.312 -2.797 -4.400) 12.456 4.582 ( -11.312 -2.797 4.400) 12.456 5.124 ( 7.998 -2.919 -0.418) 8.524 5.124 ( 7.998 -2.919 0.418) 8.524 5.579 ( -6.745 -2.233 -2.048) 7.394 5.579 ( -6.745 -2.233 2.048) 7.394 6.242 ( -2.448 -3.615 -0.682) 4.419 6.242 ( -2.448 -3.615 0.682) 4.419 6.444 ( 1.976 -3.913 -10.429) 11.313 6.444 ( 1.976 -3.913 10.429) 11.313 6.741 ( 14.591 -2.633 -2.590) 15.051 6.741 ( 14.591 -2.633 2.590) 15.051 6.845 ( 0.889 -5.073 -5.344) 7.422 6.845 ( 0.889 -5.073 5.344) 7.422 6.972 ( 5.548 -2.599 -7.705) 9.844 6.972 ( 5.548 -2.599 7.705) 9.844 7.254 ( 8.220 -3.669 -5.683) 10.645 7.254 ( 8.220 -3.669 5.683) 10.645 7.565 ( -11.092 0.389 -15.781) 19.293 7.565 ( -11.092 0.389 15.781) 19.293 8.008 ( -1.045 -6.273 -3.686) 7.351 8.008 ( -1.045 -6.273 3.686) 7.351 8.147 ( -4.209 0.593 -5.526) 6.972 8.147 ( -4.209 0.593 5.526) 6.972 8.335 ( -1.885 -0.447 -11.497) 11.659 8.335 ( -1.885 -0.447 11.497) 11.659 8.527 ( -2.047 -1.309 -3.187) 4.008 8.527 ( -2.047 -1.309 3.187) 4.008 8.700 ( 5.210 -3.152 -12.978) 14.335 8.700 ( 5.210 -3.152 12.978) 14.335 9.099 ( -4.199 1.522 -2.965) 5.361 9.099 ( -4.199 1.522 2.965) 5.361 9.184 ( -5.307 2.103 -3.063) 6.479 9.184 ( -5.307 2.103 3.063) 6.479 9.581 ( 3.456 -0.959 -3.644) 5.113 9.581 ( 3.456 -0.959 3.644) 5.113 9.941 ( -11.900 -1.057 -7.620) 14.170 9.941 ( -11.900 -1.057 7.620) 14.170 10.055 ( 1.552 -1.103 -4.835) 5.197 10.055 ( 1.552 -1.103 4.835) 5.197 10.136 ( -10.793 -1.818 -6.931) 12.955 10.136 ( -10.793 -1.818 6.931) 12.955 10.595 ( 0.852 -2.607 -3.230) 4.238 10.595 ( 0.852 -2.607 3.230) 4.238 10.766 ( -2.131 -1.921 -4.032) 4.949 10.766 ( -2.131 -1.921 4.032) 4.949 10.946 ( -4.518 -1.820 -12.484) 13.400 10.946 ( -4.518 -1.820 12.484) 13.400 11.284 ( 3.865 -2.221 -4.819) 6.564 11.284 ( 3.865 -2.221 4.819) 6.564 11.397 ( 7.343 -1.792 -3.675) 8.405 11.397 ( 7.343 -1.792 3.675) 8.405 11.707 ( -3.271 -1.920 -12.077) 12.659 11.707 ( -3.271 -1.920 12.077) 12.659 12.086 ( -0.904 -0.651 -4.535) 4.670 12.086 ( -0.904 -0.651 4.535) 4.670 12.199 ( 5.272 -0.188 -2.958) 6.048 12.199 ( 5.272 -0.188 2.958) 6.048 12.312 ( 1.499 -1.886 -3.103) 3.928 12.312 ( 1.499 -1.886 3.103) 3.928 12.461 ( 3.759 2.406 -5.446) 7.041 12.461 ( 3.759 2.406 5.446) 7.041 12.556 ( 0.339 -0.705 -12.436) 12.461 12.556 ( 0.339 -0.705 12.436) 12.461 12.667 ( 1.552 1.761 -3.277) 4.031 12.667 ( 1.552 1.761 3.277) 4.031 12.886 ( -5.728 -2.168 -3.593) 7.100 12.886 ( -5.728 -2.168 3.593) 7.100 13.132 ( 4.854 -0.458 -6.770) 8.343 13.132 ( 4.854 -0.458 6.770) 8.343 13.230 ( 2.104 -1.587 -4.796) 5.472 13.230 ( 2.104 -1.587 4.796) 5.472 13.319 ( -3.841 1.755 -13.045) 13.712 13.319 ( -3.841 1.755 13.045) 13.712 13.675 ( 15.222 -0.488 -7.805) 17.113 13.675 ( 15.222 -0.488 7.805) 17.113 14.024 ( 9.019 1.266 -4.690) 10.244 14.024 ( 9.019 1.266 4.690) 10.244 14.250 ( -1.137 0.994 -6.050) 6.236 14.250 ( -1.137 0.994 6.050) 6.236 14.631 ( -6.605 -0.782 -23.662) 24.579 14.631 ( -6.605 -0.782 23.662) 24.579 14.813 ( 0.330 -0.618 -12.097) 12.117 14.813 ( 0.330 -0.618 12.097) 12.117 15.203 ( 1.565 0.368 -5.158) 5.403 15.203 ( 1.565 0.368 5.158) 5.403 15.301 ( -1.513 -0.335 -4.786) 5.031 15.301 ( -1.513 -0.335 4.786) 5.031 15.928 ( 2.161 1.168 -4.101) 4.781 15.928 ( 2.161 1.168 4.101) 4.781 16.117 ( -8.829 2.111 -3.293) 9.657 16.117 ( -8.829 2.111 3.293) 9.657 16.325 ( 2.520 0.664 -5.659) 6.230 16.325 ( 2.520 0.664 5.659) 6.230 16.771 ( -16.143 -0.452 -2.506) 16.343 16.771 ( -16.143 -0.452 2.506) 16.343 17.113 ( -8.616 -0.317 -6.213) 10.627 17.113 ( -8.616 -0.317 6.213) 10.627 17.789 ( 0.563 -0.757 -7.714) 7.772 17.789 ( 0.563 -0.757 7.714) 7.772 17.816 ( 6.313 -0.744 -11.128) 12.815 17.816 ( 6.313 -0.744 11.128) 12.815 18.051 ( -1.675 0.156 -6.685) 6.893 18.051 ( -1.675 0.156 6.685) 6.893 18.200 ( -6.633 -0.862 -1.550) 6.866 18.200 ( -6.633 -0.862 1.550) 6.866 18.421 ( 11.483 1.106 -3.272) 11.991 18.421 ( 11.483 1.106 3.272) 11.991 18.598 ( 3.393 1.014 -1.744) 3.948 18.598 ( 3.393 1.014 1.744) 3.948 18.712 ( 1.395 0.617 -2.041) 2.548 18.712 ( 1.395 0.617 2.041) 2.548 18.913 ( -2.945 -0.583 -3.989) 4.993 18.913 ( -2.945 -0.583 3.989) 4.993 19.091 ( 4.722 0.751 -2.253) 5.286 19.091 ( 4.722 0.751 2.253) 5.286 19.697 ( 5.242 0.678 -4.470) 6.922 19.697 ( 5.242 0.678 4.470) 6.922 19.919 ( 17.588 0.815 -9.758) 20.130 19.919 ( 17.588 0.815 9.758) 20.130 20.220 ( -8.091 0.098 -3.606) 8.859 20.220 ( -8.091 0.098 3.606) 8.859 20.606 ( -3.643 -0.695 -7.675) 8.524 20.606 ( -3.643 -0.695 7.675) 8.524 20.714 ( -3.692 0.076 -0.646) 3.749 20.714 ( -3.692 0.076 0.646) 3.749 20.953 ( -13.162 -0.788 -2.290) 13.383 20.953 ( -13.162 -0.788 2.290) 13.383 21.002 ( 5.845 -1.304 -1.737) 6.235 21.002 ( 5.845 -1.304 1.737) 6.235 21.239 ( 1.860 -1.176 -1.151) 2.483 21.239 ( 1.860 -1.176 1.151) 2.483 21.401 ( -4.766 -1.444 -4.902) 6.987 21.401 ( -4.766 -1.444 4.902) 6.987 22.208 ( 11.074 0.252 -4.155) 11.830 22.208 ( 11.074 0.252 4.155) 11.830 22.660 ( -8.533 0.071 -5.449) 10.125 22.660 ( -8.533 0.071 5.449) 10.125 22.905 ( -6.034 0.952 -8.728) 10.653 22.905 ( -6.034 0.952 8.728) 10.653 23.124 ( 3.425 -0.094 -5.475) 6.459 23.124 ( 3.425 -0.094 5.475) 6.459 23.398 ( 7.191 2.345 -1.746) 7.763 23.398 ( 7.191 2.345 1.746) 7.763 23.837 ( -6.475 0.119 -9.371) 11.391 23.837 ( -6.475 0.119 9.371) 11.391 23.917 ( 0.304 0.647 -2.206) 2.319 23.917 ( 0.304 0.647 2.206) 2.319 24.109 ( -1.800 1.277 -6.015) 6.407 24.109 ( -1.800 1.277 6.015) 6.407 24.392 ( -10.429 -0.436 -2.918) 10.838 24.392 ( -10.429 -0.436 2.918) 10.838 24.753 ( 8.904 1.170 -6.712) 11.212 24.753 ( 8.904 1.170 6.712) 11.212 25.226 ( 8.030 -0.090 -7.013) 10.662 25.226 ( 8.030 -0.090 7.013) 10.662 25.313 ( -8.028 1.210 -8.216) 11.551 25.313 ( -8.028 1.210 8.216) 11.551 25.725 ( 23.592 -2.465 -5.150) 24.273 25.725 ( 23.592 -2.465 5.150) 24.273 25.861 ( 1.760 -0.083 -3.929) 4.306 25.861 ( 1.760 -0.083 3.929) 4.306 26.194 ( 19.334 -0.263 -15.458) 24.755 26.194 ( 19.334 -0.263 15.458) 24.755 26.870 ( -0.929 -0.142 -1.147) 1.483 26.870 ( -0.929 -0.142 1.147) 1.483 27.026 ( -9.454 -1.692 -18.431) 20.784 27.026 ( -9.454 -1.692 18.431) 20.784 27.588 ( -39.207 -6.736 -6.371) 40.289 27.588 ( -39.207 -6.736 6.371) 40.289 28.211 ( 5.941 -0.733 -10.746) 12.300 28.211 ( 5.941 -0.733 10.746) 12.300 28.450 ( 0.948 -4.358 -9.157) 10.185 28.450 ( 0.948 -4.358 9.157) 10.185 28.696 ( -11.203 -1.955 -2.192) 11.582 28.696 ( -11.203 -1.955 2.192) 11.582 29.115 ( 14.123 -2.602 -2.959) 14.662 29.115 ( 14.123 -2.602 2.959) 14.662 29.390 ( -4.803 -0.708 -4.655) 6.726 29.390 ( -4.803 -0.708 4.655) 6.726 29.749 ( 1.055 -1.986 -1.822) 2.894 29.749 ( 1.055 -1.986 1.822) 2.894 30.110 ( 9.843 -2.538 -2.223) 10.405 30.110 ( 9.843 -2.538 2.223) 10.405 30.747 ( -1.223 -0.590 -1.533) 2.048 30.747 ( -1.223 -0.590 1.533) 2.048 30.855 ( -0.986 -3.337 -2.699) 4.404 30.855 ( -0.986 -3.337 2.699) 4.404 30.915 ( 2.424 -2.220 -2.291) 4.006 30.915 ( 2.424 -2.220 2.291) 4.006 31.201 ( -7.134 -3.844 -5.502) 9.796 31.201 ( -7.134 -3.844 5.502) 9.796 31.358 ( 4.009 -1.497 -9.255) 10.196 31.358 ( 4.009 -1.497 9.255) 10.196 31.711 ( 1.845 -2.028 -4.789) 5.519 31.711 ( 1.845 -2.028 4.789) 5.519 31.817 ( 2.409 -3.556 -2.778) 5.115 31.817 ( 2.409 -3.556 2.778) 5.115 32.235 ( -1.005 -1.854 -3.208) 3.839 32.235 ( -1.005 -1.854 3.208) 3.839 32.809 ( -15.301 -4.534 -10.975) 19.368 32.809 ( -15.301 -4.534 10.975) 19.368 33.237 ( 1.335 -3.747 -6.876) 7.944 33.237 ( 1.335 -3.747 6.876) 7.944 33.601 ( 4.375 -1.071 -2.595) 5.198 33.601 ( 4.375 -1.071 2.595) 5.198 34.592 ( 20.541 -5.913 -13.422) 25.239 34.592 ( 20.541 -5.913 13.422) 25.239 35.969 ( -15.037 -13.045 -29.231) 35.366 35.969 ( -15.037 -13.045 29.231) 35.366 ======================= Grid point 154 (51/54) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.000 2.904 -5.737) 6.430 2.198 ( 0.000 2.904 5.737) 6.430 2.467 ( 0.000 3.865 -3.971) 5.542 2.467 ( 0.000 3.865 3.971) 5.542 2.674 ( 0.000 6.074 -1.094) 6.172 2.674 ( 0.000 6.074 1.094) 6.172 2.811 ( 0.000 6.608 -6.593) 9.335 2.811 ( 0.000 6.608 6.593) 9.335 2.997 ( 0.000 0.678 -0.771) 1.027 2.997 ( -0.000 0.678 0.771) 1.027 3.204 ( -0.000 5.592 -0.826) 5.653 3.204 ( -0.000 5.592 0.826) 5.653 3.222 ( 0.000 2.280 -3.278) 3.993 3.222 ( -0.000 2.280 3.278) 3.993 3.306 ( 0.000 0.991 -0.155) 1.003 3.306 ( 0.000 0.991 0.155) 1.003 3.460 ( 0.000 6.199 -0.100) 6.200 3.460 ( 0.000 6.199 0.100) 6.200 3.542 ( 0.000 1.351 -3.157) 3.434 3.542 ( 0.000 1.351 3.157) 3.434 3.690 ( -0.000 -0.128 -4.724) 4.726 3.690 ( 0.000 -0.128 4.724) 4.726 3.848 ( 0.000 -3.918 -2.335) 4.561 3.848 ( 0.000 -3.918 2.335) 4.561 4.043 ( -0.000 6.116 -0.813) 6.170 4.043 ( -0.000 6.116 0.813) 6.170 4.287 ( 0.000 -1.655 -1.373) 2.150 4.287 ( 0.000 -1.655 1.373) 2.150 4.352 ( -0.000 2.056 -5.363) 5.744 4.352 ( -0.000 2.056 5.363) 5.744 4.439 ( -0.000 -4.053 -4.352) 5.947 4.439 ( 0.000 -4.053 4.352) 5.947 5.231 ( 0.000 -3.576 -1.900) 4.049 5.231 ( 0.000 -3.576 1.900) 4.049 5.480 ( -0.000 -3.290 -1.573) 3.647 5.480 ( -0.000 -3.290 1.573) 3.647 6.200 ( 0.000 -5.577 -0.317) 5.586 6.200 ( 0.000 -5.577 0.317) 5.586 6.487 ( 0.000 -3.271 -4.217) 5.337 6.487 ( 0.000 -3.271 4.217) 5.337 6.775 ( 0.000 -1.543 -3.225) 3.575 6.775 ( -0.000 -1.543 3.225) 3.575 6.956 ( 0.000 -4.102 -2.364) 4.734 6.956 ( 0.000 -4.102 2.364) 4.734 7.074 ( -0.000 -3.898 -2.412) 4.584 7.074 ( -0.000 -3.898 2.412) 4.584 7.440 ( 0.000 0.103 -5.003) 5.004 7.440 ( 0.000 0.103 5.003) 5.004 7.490 ( 0.000 -2.673 -2.180) 3.449 7.490 ( 0.000 -2.673 2.180) 3.449 7.857 ( 0.000 -0.242 -3.119) 3.129 7.857 ( 0.000 -0.242 3.119) 3.129 8.049 ( 0.000 -7.611 -0.297) 7.617 8.049 ( 0.000 -7.611 0.297) 7.617 8.359 ( 0.000 2.921 -10.577) 10.973 8.359 ( 0.000 2.921 10.577) 10.973 8.553 ( 0.000 -0.726 -8.545) 8.576 8.553 ( 0.000 -0.726 8.545) 8.576 8.826 ( 0.000 -0.712 -5.650) 5.695 8.826 ( 0.000 -0.712 5.650) 5.695 8.939 ( -0.000 -2.445 -4.621) 5.228 8.939 ( -0.000 -2.445 4.621) 5.228 9.044 ( 0.000 -2.578 -2.710) 3.740 9.044 ( 0.000 -2.578 2.710) 3.740 9.650 ( 0.000 1.099 -3.164) 3.350 9.650 ( 0.000 1.099 3.164) 3.350 9.789 ( -0.000 1.136 -1.531) 1.906 9.789 ( -0.000 1.136 1.531) 1.906 9.975 ( -0.000 -1.057 -4.620) 4.740 9.975 ( -0.000 -1.057 4.620) 4.740 10.158 ( 0.000 -1.193 -0.747) 1.408 10.158 ( 0.000 -1.193 0.747) 1.408 10.629 ( 0.000 -3.242 -7.827) 8.472 10.629 ( 0.000 -3.242 7.827) 8.472 10.775 ( -0.000 -2.737 -4.020) 4.863 10.775 ( -0.000 -2.737 4.020) 4.863 10.870 ( 0.000 -1.585 -0.759) 1.758 10.870 ( 0.000 -1.585 0.759) 1.758 11.282 ( 0.000 -1.358 -3.683) 3.925 11.282 ( -0.000 -1.358 3.683) 3.925 11.497 ( 0.000 -0.229 -4.684) 4.690 11.497 ( 0.000 -0.229 4.684) 4.690 11.654 ( -0.000 -3.298 -4.220) 5.356 11.654 ( -0.000 -3.298 4.220) 5.356 12.070 ( 0.000 1.089 -6.249) 6.343 12.070 ( 0.000 1.089 6.249) 6.343 12.310 ( 0.000 0.575 -2.160) 2.235 12.310 ( 0.000 0.575 2.160) 2.235 12.343 ( -0.000 -1.865 -6.645) 6.902 12.343 ( -0.000 -1.865 6.645) 6.902 12.459 ( -0.000 0.390 -2.596) 2.625 12.459 ( -0.000 0.390 2.596) 2.625 12.534 ( 0.000 -1.818 -4.830) 5.161 12.534 ( 0.000 -1.818 4.830) 5.161 12.689 ( 0.000 -1.225 -3.470) 3.680 12.689 ( -0.000 -1.225 3.470) 3.680 12.842 ( 0.000 0.259 -2.014) 2.030 12.842 ( 0.000 0.259 2.014) 2.030 13.181 ( 0.000 1.117 -3.480) 3.655 13.181 ( 0.000 1.117 3.480) 3.655 13.270 ( 0.000 -1.218 -0.308) 1.256 13.270 ( 0.000 -1.218 0.308) 1.256 13.302 ( 0.000 2.396 -4.038) 4.695 13.302 ( -0.000 2.396 4.038) 4.695 13.836 ( 0.000 0.108 -1.977) 1.980 13.836 ( 0.000 0.108 1.977) 1.980 14.039 ( 0.000 0.903 -1.013) 1.358 14.039 ( 0.000 0.903 1.013) 1.358 14.340 ( 0.000 -1.452 -0.491) 1.533 14.340 ( 0.000 -1.452 0.491) 1.533 14.541 ( -0.000 -0.613 -5.505) 5.539 14.541 ( -0.000 -0.613 5.505) 5.539 14.839 ( 0.000 0.305 -8.676) 8.681 14.839 ( -0.000 0.305 8.676) 8.681 15.122 ( -0.000 -1.155 -2.807) 3.036 15.122 ( 0.000 -1.155 2.807) 3.036 15.387 ( -0.000 0.774 -0.518) 0.931 15.387 ( 0.000 0.774 0.518) 0.931 15.930 ( 0.000 2.391 -7.818) 8.175 15.930 ( 0.000 2.391 7.818) 8.175 16.089 ( 0.000 1.342 -0.257) 1.366 16.089 ( 0.000 1.342 0.257) 1.366 16.199 ( -0.000 0.149 -5.322) 5.324 16.199 ( -0.000 0.149 5.322) 5.324 16.650 ( 0.000 -0.211 -0.855) 0.880 16.650 ( 0.000 -0.211 0.855) 0.880 17.010 ( 0.000 -0.059 -0.927) 0.929 17.010 ( 0.000 -0.059 0.927) 0.929 17.776 ( 0.000 -1.953 -7.865) 8.104 17.776 ( 0.000 -1.953 7.865) 8.104 17.927 ( 0.000 -0.326 -1.286) 1.326 17.927 ( 0.000 -0.326 1.286) 1.326 18.020 ( -0.000 -0.708 -3.373) 3.446 18.020 ( 0.000 -0.708 3.373) 3.446 18.104 ( 0.000 -0.482 -2.517) 2.563 18.104 ( 0.000 -0.482 2.517) 2.563 18.567 ( 0.000 2.112 -2.087) 2.969 18.567 ( -0.000 2.112 2.087) 2.969 18.629 ( -0.000 2.397 -3.440) 4.192 18.629 ( 0.000 2.397 3.440) 4.192 18.735 ( -0.000 -0.224 -0.215) 0.310 18.735 ( -0.000 -0.224 0.215) 0.310 18.869 ( 0.000 -2.111 -0.758) 2.243 18.869 ( 0.000 -2.111 0.758) 2.243 19.153 ( 0.000 1.339 -3.336) 3.595 19.153 ( 0.000 1.339 3.336) 3.595 19.786 ( 0.000 -0.583 -0.888) 1.062 19.786 ( -0.000 -0.583 0.888) 1.062 20.050 ( 0.000 0.938 -0.152) 0.951 20.050 ( 0.000 0.938 0.152) 0.951 20.329 ( -0.000 2.159 -2.556) 3.346 20.329 ( 0.000 2.159 2.556) 3.346 20.431 ( 0.000 -1.052 -4.259) 4.387 20.431 ( -0.000 -1.052 4.259) 4.387 20.597 ( 0.000 -0.886 -0.404) 0.974 20.597 ( 0.000 -0.886 0.404) 0.974 20.809 ( 0.000 -1.141 -1.828) 2.155 20.809 ( 0.000 -1.141 1.828) 2.155 21.159 ( 0.000 -0.574 -2.583) 2.646 21.159 ( 0.000 -0.574 2.583) 2.646 21.277 ( 0.000 -1.120 -0.782) 1.366 21.277 ( 0.000 -1.120 0.782) 1.366 21.297 ( -0.000 -0.812 -1.687) 1.872 21.297 ( -0.000 -0.812 1.687) 1.872 22.281 ( -0.000 -0.936 -3.018) 3.160 22.281 ( -0.000 -0.936 3.018) 3.160 22.598 ( 0.000 1.131 -2.270) 2.536 22.598 ( 0.000 1.131 2.270) 2.536 22.856 ( 0.000 1.349 -0.518) 1.445 22.856 ( 0.000 1.349 0.518) 1.445 23.153 ( 0.000 -1.416 -0.394) 1.470 23.153 ( -0.000 -1.416 0.394) 1.470 23.478 ( 0.000 2.651 -0.177) 2.657 23.478 ( -0.000 2.651 0.177) 2.657 23.757 ( 0.000 0.436 -1.097) 1.181 23.757 ( 0.000 0.436 1.097) 1.181 23.921 ( 0.000 0.668 -1.933) 2.045 23.921 ( 0.000 0.668 1.933) 2.045 24.088 ( 0.000 1.718 -1.869) 2.539 24.088 ( 0.000 1.718 1.869) 2.539 24.277 ( 0.000 -0.534 -1.274) 1.381 24.277 ( 0.000 -0.534 1.274) 1.381 24.870 ( 0.000 1.865 -0.814) 2.035 24.870 ( 0.000 1.865 0.814) 2.035 25.195 ( 0.000 1.928 -0.511) 1.994 25.195 ( 0.000 1.928 0.511) 1.994 25.296 ( 0.000 -0.665 -0.833) 1.066 25.296 ( 0.000 -0.665 0.833) 1.066 25.864 ( 0.000 -0.038 -0.733) 0.734 25.864 ( -0.000 -0.038 0.733) 0.734 26.226 ( 0.000 -4.820 -4.956) 6.913 26.226 ( 0.000 -4.820 4.956) 6.913 26.502 ( -0.000 -0.328 -0.833) 0.895 26.502 ( -0.000 -0.328 0.833) 0.895 26.771 ( -0.000 -3.713 -5.456) 6.600 26.771 ( 0.000 -3.713 5.456) 6.600 26.848 ( -0.000 -5.127 -2.676) 5.783 26.848 ( -0.000 -5.127 2.676) 5.783 27.039 ( 0.000 -0.920 -2.581) 2.740 27.039 ( 0.000 -0.920 2.581) 2.740 28.342 ( -0.000 -0.289 -10.521) 10.525 28.342 ( -0.000 -0.289 10.521) 10.525 28.462 ( 0.000 -2.873 -7.586) 8.112 28.462 ( 0.000 -2.873 7.586) 8.112 28.496 ( 0.000 -4.185 -0.221) 4.191 28.496 ( 0.000 -4.185 0.221) 4.191 29.280 ( 0.000 0.025 -2.607) 2.607 29.280 ( 0.000 0.025 2.607) 2.607 29.353 ( -0.000 -1.813 -3.458) 3.904 29.353 ( -0.000 -1.813 3.458) 3.904 29.699 ( 0.000 -2.994 -0.997) 3.156 29.699 ( -0.000 -2.994 0.997) 3.156 30.287 ( 0.000 -1.405 -1.124) 1.799 30.287 ( 0.000 -1.405 1.124) 1.799 30.754 ( -0.000 -1.367 -1.655) 2.147 30.754 ( 0.000 -1.367 1.655) 2.147 30.809 ( 0.000 -1.238 -0.275) 1.269 30.809 ( 0.000 -1.238 0.275) 1.269 30.909 ( -0.000 -2.123 -0.518) 2.185 30.909 ( 0.000 -2.123 0.518) 2.185 31.122 ( 0.000 -5.445 -1.899) 5.766 31.122 ( 0.000 -5.445 1.899) 5.766 31.438 ( -0.000 -1.360 -2.922) 3.223 31.438 ( -0.000 -1.360 2.922) 3.223 31.733 ( 0.000 -1.872 -2.379) 3.028 31.733 ( 0.000 -1.872 2.379) 3.028 31.828 ( 0.000 -4.452 -6.325) 7.735 31.828 ( 0.000 -4.452 6.325) 7.735 32.222 ( 0.000 -0.654 -2.320) 2.411 32.222 ( -0.000 -0.654 2.320) 2.411 32.643 ( 0.000 -5.065 -2.333) 5.576 32.643 ( 0.000 -5.065 2.333) 5.576 33.248 ( 0.000 -3.653 -2.641) 4.508 33.248 ( 0.000 -3.653 2.641) 4.508 33.640 ( 0.000 -0.763 -1.355) 1.554 33.640 ( 0.000 -0.763 1.355) 1.554 34.894 ( 0.000 -10.213 -8.094) 13.031 34.894 ( 0.000 -10.213 8.094) 13.031 35.732 ( 0.000 -8.692 -5.089) 10.072 35.732 ( -0.000 -8.692 5.089) 10.072 ======================= Grid point 160 (52/54) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 1.300 -3.349) 3.593 2.271 ( 0.000 1.300 3.349) 3.593 2.427 ( 0.000 0.518 -6.330) 6.351 2.427 ( 0.000 0.518 6.330) 6.351 2.765 ( 0.000 2.971 -2.869) 4.130 2.765 ( 0.000 2.971 2.869) 4.130 2.886 ( 0.000 0.211 -1.665) 1.678 2.886 ( 0.000 0.211 1.665) 1.678 2.971 ( 0.000 -0.394 -3.187) 3.211 2.971 ( 0.000 -0.394 3.187) 3.211 3.228 ( 0.000 0.338 -1.394) 1.434 3.228 ( 0.000 0.338 1.394) 1.434 3.318 ( 0.000 2.513 -2.692) 3.682 3.318 ( 0.000 2.513 2.692) 3.682 3.332 ( 0.000 2.578 -0.703) 2.673 3.332 ( 0.000 2.578 0.703) 2.673 3.448 ( 0.000 6.182 -1.875) 6.460 3.448 ( 0.000 6.182 1.875) 6.460 3.502 ( 0.000 -1.263 -1.809) 2.207 3.502 ( 0.000 -1.263 1.809) 2.207 3.691 ( 0.000 0.020 -7.403) 7.403 3.691 ( 0.000 0.020 7.403) 7.403 3.865 ( 0.000 -2.781 -6.843) 7.387 3.865 ( 0.000 -2.781 6.843) 7.387 4.029 ( 0.000 0.743 -8.780) 8.811 4.029 ( 0.000 0.743 8.780) 8.811 4.206 ( 0.000 0.030 -4.473) 4.473 4.206 ( 0.000 0.030 4.473) 4.473 4.364 ( 0.000 2.739 -2.571) 3.757 4.364 ( 0.000 2.739 2.571) 3.757 4.670 ( 0.000 -2.864 -4.364) 5.220 4.670 ( 0.000 -2.864 4.364) 5.220 4.992 ( 0.000 -0.690 -1.799) 1.927 4.992 ( 0.000 -0.690 1.799) 1.927 5.640 ( 0.000 -0.366 -0.740) 0.826 5.640 ( 0.000 -0.366 0.740) 0.826 6.235 ( 0.000 -0.017 -11.370) 11.370 6.235 ( 0.000 -0.017 11.370) 11.370 6.304 ( 0.000 -4.154 -0.656) 4.206 6.304 ( 0.000 -4.154 0.656) 4.206 6.578 ( 0.000 -1.212 -18.152) 18.193 6.578 ( 0.000 -1.212 18.153) 18.193 6.692 ( 0.000 -0.434 -4.453) 4.474 6.692 ( 0.000 -0.434 4.453) 4.474 6.904 ( 0.000 -2.279 -13.089) 13.286 6.904 ( 0.000 -2.279 13.089) 13.286 7.124 ( 0.000 -1.396 -15.805) 15.867 7.124 ( 0.000 -1.396 15.805) 15.867 7.816 ( 0.000 -2.145 -2.603) 3.373 7.816 ( 0.000 -2.145 2.603) 3.373 7.890 ( 0.000 0.828 -12.809) 12.836 7.890 ( 0.000 0.828 12.809) 12.836 7.980 ( 0.000 -3.360 -9.368) 9.953 7.980 ( 0.000 -3.360 9.368) 9.953 8.471 ( 0.000 1.416 -9.237) 9.345 8.471 ( 0.000 1.416 9.237) 9.345 8.521 ( 0.000 -0.586 -4.589) 4.626 8.521 ( 0.000 -0.586 4.589) 4.626 8.645 ( 0.000 -1.501 -10.103) 10.214 8.645 ( 0.000 -1.501 10.103) 10.214 9.092 ( 0.000 0.817 -10.742) 10.773 9.092 ( 0.000 0.817 10.742) 10.773 9.278 ( 0.000 -0.526 -6.707) 6.727 9.278 ( 0.000 -0.526 6.707) 6.727 9.554 ( 0.000 1.217 -2.968) 3.208 9.554 ( 0.000 1.217 2.968) 3.208 9.824 ( 0.000 -0.294 -0.269) 0.398 9.824 ( 0.000 -0.294 0.269) 0.398 10.188 ( 0.000 0.366 -2.619) 2.644 10.188 ( 0.000 0.366 2.619) 2.644 10.472 ( 0.000 -0.053 -8.386) 8.386 10.472 ( 0.000 -0.053 8.386) 8.386 10.506 ( 0.000 -1.929 -8.990) 9.195 10.506 ( 0.000 -1.929 8.990) 9.195 10.867 ( 0.000 -1.490 -9.134) 9.254 10.867 ( 0.000 -1.490 9.134) 9.254 10.900 ( 0.000 -0.582 -15.419) 15.430 10.900 ( 0.000 -0.582 15.419) 15.430 11.003 ( 0.000 -1.549 -10.224) 10.340 11.003 ( 0.000 -1.549 10.223) 10.340 11.356 ( 0.000 -0.083 -3.530) 3.531 11.356 ( 0.000 -0.083 3.530) 3.531 11.732 ( 0.000 -0.046 -14.328) 14.328 11.732 ( 0.000 -0.046 14.328) 14.328 12.084 ( 0.000 -0.525 -11.618) 11.630 12.084 ( 0.000 -0.525 11.618) 11.630 12.088 ( 0.000 -1.285 -6.186) 6.318 12.088 ( 0.000 -1.285 6.186) 6.318 12.308 ( 0.000 0.654 -4.952) 4.996 12.308 ( 0.000 0.654 4.952) 4.996 12.467 ( 0.000 0.476 -3.753) 3.783 12.467 ( 0.000 0.476 3.753) 3.783 12.566 ( 0.000 -0.056 -17.238) 17.238 12.566 ( 0.000 -0.056 17.238) 17.238 12.602 ( 0.000 0.164 -6.195) 6.197 12.602 ( 0.000 0.164 6.195) 6.197 13.012 ( 0.000 2.410 -12.306) 12.540 13.012 ( 0.000 2.410 12.306) 12.540 13.034 ( 0.000 -1.603 -5.799) 6.016 13.034 ( 0.000 -1.603 5.799) 6.016 13.146 ( 0.000 -3.211 -3.832) 5.000 13.146 ( 0.000 -3.211 3.832) 5.000 13.409 ( 0.000 2.057 -6.616) 6.929 13.409 ( 0.000 2.057 6.616) 6.929 13.450 ( 0.000 -0.986 -8.769) 8.824 13.450 ( 0.000 -0.986 8.769) 8.824 13.903 ( 0.000 0.593 -12.895) 12.908 13.903 ( 0.000 0.593 12.895) 12.909 14.343 ( 0.000 1.400 -14.856) 14.922 14.343 ( 0.000 1.400 14.856) 14.922 14.677 ( 0.000 -1.157 -26.225) 26.250 14.677 ( 0.000 -1.157 26.225) 26.250 14.819 ( 0.000 0.374 -19.712) 19.716 14.819 ( 0.000 0.374 19.712) 19.716 15.128 ( 0.000 -0.480 -10.701) 10.712 15.128 ( 0.000 -0.480 10.701) 10.712 15.373 ( 0.000 0.348 -10.981) 10.986 15.373 ( 0.000 0.348 10.981) 10.986 16.035 ( 0.000 -0.393 -1.077) 1.146 16.035 ( 0.000 -0.393 1.077) 1.146 16.046 ( 0.000 0.283 -17.308) 17.310 16.046 ( 0.000 0.283 17.308) 17.310 16.345 ( 0.000 1.054 -10.287) 10.341 16.345 ( 0.000 1.054 10.287) 10.341 17.096 ( 0.000 -0.417 -11.607) 11.614 17.096 ( 0.000 -0.417 11.607) 11.614 17.134 ( 0.000 0.043 -4.249) 4.250 17.134 ( 0.000 0.043 4.249) 4.250 17.685 ( 0.000 0.110 -18.070) 18.071 17.685 ( 0.000 0.110 18.070) 18.071 17.833 ( 0.000 -0.521 -18.512) 18.519 17.833 ( 0.000 -0.521 18.512) 18.519 18.082 ( 0.000 1.134 -5.898) 6.006 18.082 ( 0.000 1.134 5.898) 6.006 18.246 ( 0.000 -0.004 -0.911) 0.911 18.246 ( 0.000 -0.004 0.911) 0.911 18.293 ( 0.000 -0.839 -7.947) 7.991 18.293 ( 0.000 -0.839 7.947) 7.991 18.540 ( 0.000 0.040 -1.470) 1.470 18.540 ( 0.000 0.040 1.470) 1.470 18.716 ( 0.000 0.441 -1.040) 1.129 18.716 ( 0.000 0.441 1.040) 1.129 18.966 ( 0.000 0.160 -8.039) 8.041 18.966 ( 0.000 0.160 8.039) 8.041 19.022 ( 0.000 0.124 -4.862) 4.864 19.022 ( 0.000 0.124 4.862) 4.864 19.665 ( 0.000 0.558 -5.016) 5.047 19.665 ( 0.000 0.558 5.016) 5.047 19.721 ( 0.000 -0.030 -8.366) 8.366 19.721 ( 0.000 -0.030 8.366) 8.366 20.310 ( 0.000 0.021 -8.447) 8.447 20.310 ( 0.000 0.021 8.447) 8.447 20.619 ( 0.000 -0.138 -7.700) 7.701 20.619 ( 0.000 -0.138 7.700) 7.701 20.799 ( 0.000 -0.533 -10.354) 10.368 20.799 ( 0.000 -0.533 10.354) 10.368 20.862 ( 0.000 0.063 -7.453) 7.453 20.862 ( 0.000 0.063 7.453) 7.453 21.052 ( 0.000 -0.672 -4.665) 4.713 21.052 ( 0.000 -0.672 4.665) 4.713 21.277 ( 0.000 -0.592 -13.298) 13.311 21.277 ( 0.000 -0.592 13.298) 13.311 21.472 ( 0.000 0.055 -4.250) 4.250 21.472 ( 0.000 0.055 4.250) 4.250 22.006 ( 0.000 -0.001 -10.761) 10.761 22.006 ( 0.000 -0.001 10.761) 10.761 22.803 ( 0.000 0.271 -1.933) 1.952 22.803 ( 0.000 0.271 1.933) 1.952 23.031 ( 0.000 0.314 -5.415) 5.424 23.031 ( 0.000 0.314 5.415) 5.424 23.068 ( 0.000 0.224 -14.424) 14.425 23.068 ( 0.000 0.224 14.424) 14.425 23.313 ( 0.000 0.870 -1.688) 1.899 23.313 ( 0.000 0.870 1.688) 1.899 23.913 ( 0.000 0.180 -1.248) 1.260 23.913 ( 0.000 0.180 1.248) 1.260 23.933 ( 0.000 0.126 -16.500) 16.501 23.933 ( 0.000 0.126 16.500) 16.501 24.150 ( 0.000 0.520 -7.682) 7.699 24.150 ( 0.000 0.520 7.682) 7.699 24.540 ( 0.000 0.216 -6.062) 6.066 24.540 ( 0.000 0.216 6.062) 6.066 24.676 ( 0.000 -0.094 -4.527) 4.528 24.676 ( 0.000 -0.094 4.527) 4.528 25.001 ( 0.000 -0.019 -0.319) 0.319 25.001 ( 0.000 -0.019 0.319) 0.319 25.434 ( 0.000 0.612 -16.667) 16.678 25.434 ( 0.000 0.612 16.667) 16.678 25.628 ( 0.000 0.092 -12.662) 12.662 25.628 ( 0.000 0.092 12.662) 12.662 25.734 ( 0.000 0.065 -22.032) 22.032 25.734 ( 0.000 0.065 22.032) 22.032 25.999 ( 0.000 -0.031 -1.288) 1.289 25.999 ( 0.000 -0.031 1.288) 1.289 26.874 ( 0.000 -0.001 -1.748) 1.748 26.874 ( 0.000 -0.001 1.748) 1.748 27.104 ( 0.000 -0.529 -18.602) 18.609 27.104 ( 0.000 -0.529 18.602) 18.609 28.012 ( 0.000 -1.132 -8.583) 8.658 28.012 ( 0.000 -1.132 8.583) 8.658 28.235 ( 0.000 -1.238 -0.820) 1.485 28.235 ( 0.000 -1.238 0.820) 1.485 28.273 ( 0.000 -1.469 -1.544) 2.131 28.273 ( 0.000 -1.469 1.544) 2.131 28.802 ( 0.000 -2.093 -2.873) 3.555 28.802 ( 0.000 -2.093 2.873) 3.555 28.829 ( 0.000 -0.203 -2.567) 2.575 28.829 ( 0.000 -0.203 2.567) 2.575 29.542 ( 0.000 -0.309 -8.002) 8.008 29.542 ( 0.000 -0.309 8.002) 8.008 29.567 ( 0.000 -0.092 -17.345) 17.345 29.567 ( 0.000 -0.092 17.345) 17.345 30.006 ( 0.000 -1.144 -9.749) 9.815 30.006 ( 0.000 -1.144 9.749) 9.815 30.753 ( 0.000 -1.526 -3.959) 4.242 30.753 ( 0.000 -1.526 3.959) 4.242 30.804 ( 0.000 -0.329 -2.849) 2.868 30.804 ( 0.000 -0.329 2.849) 2.868 30.830 ( 0.000 -0.743 -5.889) 5.935 30.830 ( 0.000 -0.743 5.889) 5.935 31.243 ( 0.000 -0.258 -11.562) 11.565 31.243 ( 0.000 -0.258 11.562) 11.565 31.325 ( 0.000 -1.151 -7.158) 7.250 31.325 ( 0.000 -1.151 7.158) 7.250 31.671 ( 0.000 -0.718 -12.315) 12.336 31.671 ( 0.000 -0.718 12.315) 12.336 31.716 ( 0.000 -1.076 -1.014) 1.479 31.716 ( 0.000 -1.076 1.014) 1.479 32.216 ( 0.000 -0.724 -3.763) 3.832 32.216 ( 0.000 -0.724 3.763) 3.832 33.014 ( 0.000 -1.975 -14.345) 14.480 33.014 ( 0.000 -1.975 14.345) 14.480 33.105 ( 0.000 -1.973 -16.198) 16.317 33.105 ( 0.000 -1.973 16.198) 16.317 33.495 ( 0.000 -0.485 -2.517) 2.564 33.495 ( 0.000 -0.485 2.517) 2.564 34.302 ( 0.000 -1.670 -8.421) 8.585 34.302 ( 0.000 -1.670 8.421) 8.585 35.900 ( 0.000 -6.447 -27.719) 28.459 35.900 ( 0.000 -6.447 27.719) 28.459 ======================= Grid point 162 (53/54) ======================= q-point: ( 0.25 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.792 3.449 -2.610) 4.397 2.277 ( 0.792 3.449 2.610) 4.397 2.432 ( 0.128 -2.141 -4.190) 4.707 2.432 ( 0.128 -2.141 4.190) 4.707 2.772 ( 1.284 3.459 -3.389) 5.010 2.772 ( 1.284 3.459 3.389) 5.010 2.917 ( 0.763 0.622 -2.649) 2.826 2.917 ( 0.763 0.622 2.649) 2.826 2.964 ( -0.238 -1.060 -1.817) 2.117 2.964 ( -0.238 -1.060 1.817) 2.117 3.236 ( 0.117 0.567 -0.402) 0.705 3.236 ( 0.117 0.567 0.402) 0.705 3.322 ( 0.257 5.893 -2.078) 6.254 3.322 ( 0.257 5.893 2.078) 6.254 3.355 ( 1.650 1.820 -1.341) 2.799 3.355 ( 1.650 1.820 1.341) 2.799 3.485 ( 4.179 3.315 -1.145) 5.455 3.485 ( 4.179 3.315 1.145) 5.455 3.528 ( 2.444 0.257 -1.951) 3.137 3.528 ( 2.444 0.257 1.951) 3.137 3.660 ( -1.556 -2.450 -5.460) 6.184 3.660 ( -1.556 -2.450 5.460) 6.184 3.893 ( -1.874 0.114 -3.994) 4.413 3.893 ( -1.874 0.114 3.994) 4.413 3.976 ( 1.496 -1.424 -2.154) 2.984 3.976 ( 1.496 -1.424 2.154) 2.984 4.284 ( 4.704 1.544 -4.024) 6.380 4.284 ( 4.704 1.544 4.024) 6.380 4.369 ( -0.887 1.525 -3.983) 4.356 4.369 ( -0.887 1.525 3.983) 4.356 4.541 ( -9.526 -1.454 -5.886) 11.292 4.541 ( -9.526 -1.454 5.886) 11.292 5.071 ( 6.315 -1.814 -0.799) 6.619 5.071 ( 6.315 -1.814 0.800) 6.619 5.551 ( -7.608 -0.648 -1.056) 7.708 5.551 ( -7.608 -0.648 1.056) 7.708 6.173 ( -4.839 -2.366 -0.157) 5.388 6.173 ( -4.839 -2.366 0.157) 5.388 6.392 ( 3.889 -1.242 -10.378) 11.152 6.392 ( 3.889 -1.242 10.378) 11.152 6.697 ( 14.622 -1.482 -6.719) 16.160 6.697 ( 14.622 -1.482 6.719) 16.160 6.770 ( 1.187 -1.911 -4.394) 4.937 6.770 ( 1.187 -1.911 4.394) 4.937 6.938 ( 5.730 -0.857 -2.613) 6.356 6.938 ( 5.730 -0.857 2.613) 6.356 7.202 ( 8.781 -1.353 -4.009) 9.747 7.202 ( 8.781 -1.353 4.009) 9.747 7.571 ( -11.454 0.208 -12.318) 16.821 7.571 ( -11.454 0.208 12.318) 16.821 7.880 ( -0.028 -4.392 -4.742) 6.464 7.880 ( -0.028 -4.392 4.742) 6.464 8.160 ( -5.998 0.440 -7.419) 9.551 8.160 ( -5.998 0.440 7.419) 9.551 8.341 ( 0.258 0.494 -6.268) 6.293 8.341 ( 0.258 0.494 6.268) 6.293 8.508 ( -1.499 -0.533 -5.083) 5.326 8.508 ( -1.499 -0.533 5.082) 5.326 8.651 ( 4.245 -1.435 -11.903) 12.719 8.651 ( 4.245 -1.435 11.903) 12.719 9.111 ( -3.640 0.077 -4.260) 5.604 9.111 ( -3.640 0.077 4.260) 5.604 9.219 ( -7.949 1.021 -2.153) 8.298 9.219 ( -7.949 1.021 2.153) 8.298 9.567 ( 1.249 -0.389 -2.636) 2.943 9.567 ( 1.249 -0.389 2.636) 2.943 9.935 ( -12.049 0.081 -2.882) 12.389 9.935 ( -12.049 0.081 2.882) 12.389 10.033 ( 2.890 -0.727 -2.508) 3.895 10.033 ( 2.890 -0.727 2.508) 3.895 10.122 ( -8.216 -0.041 -2.241) 8.516 10.122 ( -8.216 -0.041 2.241) 8.516 10.558 ( 0.535 -0.986 -1.541) 1.905 10.558 ( 0.535 -0.986 1.541) 1.906 10.736 ( -2.281 -0.889 -1.692) 2.976 10.736 ( -2.281 -0.889 1.692) 2.976 10.921 ( -5.440 -0.689 -11.965) 13.162 10.921 ( -5.440 -0.689 11.965) 13.162 11.250 ( 7.772 -0.966 -2.307) 8.165 11.250 ( 7.772 -0.966 2.307) 8.165 11.379 ( 6.017 -0.311 -2.735) 6.617 11.379 ( 6.017 -0.311 2.735) 6.617 11.678 ( -4.872 -0.809 -12.376) 13.325 11.678 ( -4.872 -0.809 12.376) 13.325 12.077 ( 1.612 -0.181 -4.793) 5.060 12.077 ( 1.612 -0.181 4.793) 5.060 12.200 ( 6.319 0.170 -2.908) 6.958 12.200 ( 6.319 0.170 2.908) 6.958 12.282 ( 0.068 -0.913 -4.052) 4.154 12.282 ( 0.068 -0.913 4.052) 4.154 12.500 ( 1.844 1.303 -8.620) 8.911 12.500 ( 1.844 1.303 8.620) 8.911 12.541 ( 0.656 -0.682 -10.515) 10.558 12.541 ( 0.656 -0.682 10.515) 10.558 12.694 ( -0.078 0.748 -1.695) 1.855 12.694 ( -0.078 0.748 1.696) 1.855 12.851 ( -5.153 -1.007 -6.630) 8.457 12.851 ( -5.153 -1.007 6.630) 8.457 13.118 ( 5.192 -0.499 -6.733) 8.517 13.118 ( 5.192 -0.499 6.733) 8.517 13.212 ( 4.668 -0.378 -6.893) 8.334 13.212 ( 4.668 -0.378 6.893) 8.334 13.346 ( -4.551 0.758 -13.333) 14.108 13.346 ( -4.551 0.758 13.333) 14.108 13.666 ( 15.883 -0.294 -8.637) 18.082 13.666 ( 15.883 -0.294 8.637) 18.082 14.039 ( 9.711 0.335 -4.847) 10.858 14.039 ( 9.711 0.335 4.847) 10.858 14.270 ( -5.295 0.685 -3.582) 6.430 14.270 ( -5.295 0.685 3.582) 6.430 14.617 ( -4.847 -0.471 -26.245) 26.693 14.617 ( -4.847 -0.471 26.245) 26.693 14.806 ( -0.330 -0.126 -11.562) 11.568 14.806 ( -0.330 -0.126 11.562) 11.568 15.209 ( 3.379 0.197 -7.122) 7.886 15.209 ( 3.379 0.197 7.122) 7.886 15.294 ( -3.335 -0.244 -7.521) 8.231 15.294 ( -3.335 -0.244 7.521) 8.231 15.942 ( 3.337 0.299 -2.600) 4.241 15.942 ( 3.337 0.299 2.600) 4.241 16.146 ( -8.616 0.729 -3.229) 9.230 16.146 ( -8.616 0.729 3.229) 9.230 16.333 ( 1.898 0.200 -5.847) 6.151 16.333 ( 1.898 0.200 5.847) 6.151 16.764 ( -16.311 -0.179 -2.909) 16.569 16.764 ( -16.311 -0.179 2.909) 16.569 17.109 ( -8.325 -0.086 -4.639) 9.531 17.109 ( -8.325 -0.086 4.639) 9.531 17.778 ( -2.286 -0.331 -7.750) 8.087 17.778 ( -2.286 -0.331 7.750) 8.087 17.807 ( 8.553 -0.209 -7.674) 11.493 17.807 ( 8.553 -0.209 7.674) 11.493 18.053 ( -3.119 0.027 -5.103) 5.981 18.053 ( -3.119 0.027 5.103) 5.981 18.188 ( -6.649 -0.279 -2.322) 7.048 18.188 ( -6.649 -0.279 2.322) 7.048 18.437 ( 13.039 0.434 -3.461) 13.497 18.437 ( 13.039 0.434 3.461) 13.497 18.611 ( 4.865 0.324 -0.565) 4.908 18.611 ( 4.865 0.324 0.565) 4.908 18.719 ( 0.155 0.144 -1.097) 1.117 18.719 ( 0.155 0.144 1.097) 1.117 18.906 ( -4.087 -0.141 -3.465) 5.360 18.906 ( -4.087 -0.141 3.465) 5.360 19.101 ( 5.235 0.273 -0.836) 5.309 19.101 ( 5.235 0.273 0.836) 5.309 19.706 ( 4.391 0.231 -3.997) 5.942 19.706 ( 4.391 0.231 3.997) 5.942 19.930 ( 18.122 0.297 -9.237) 20.342 19.930 ( 18.122 0.297 9.237) 20.342 20.221 ( -7.982 0.010 -3.284) 8.631 20.221 ( -7.982 0.010 3.284) 8.631 20.596 ( -3.685 -0.248 -6.130) 7.157 20.596 ( -3.685 -0.248 6.130) 7.157 20.717 ( -2.994 0.121 -0.532) 3.044 20.717 ( -2.994 0.121 0.532) 3.044 20.938 ( -15.585 -0.524 -4.121) 16.129 20.938 ( -15.585 -0.524 4.121) 16.129 20.989 ( 8.922 -0.243 -0.393) 8.934 20.989 ( 8.922 -0.243 0.393) 8.934 21.224 ( 1.121 -0.398 -1.258) 1.732 21.224 ( 1.121 -0.398 1.258) 1.732 21.384 ( -4.512 -0.379 -5.098) 6.819 21.384 ( -4.512 -0.379 5.098) 6.819 22.213 ( 10.945 0.172 -4.233) 11.737 22.213 ( 10.945 0.172 4.233) 11.737 22.662 ( -8.480 0.074 -3.614) 9.218 22.662 ( -8.480 0.074 3.614) 9.218 22.921 ( -5.749 0.459 -7.127) 9.169 22.921 ( -5.749 0.459 7.127) 9.169 23.123 ( 2.435 -0.013 -4.626) 5.228 23.123 ( 2.435 -0.013 4.626) 5.228 23.434 ( 7.578 1.014 -1.705) 7.833 23.434 ( 7.578 1.014 1.705) 7.833 23.839 ( -6.259 0.042 -10.151) 11.926 23.839 ( -6.259 0.042 10.151) 11.926 23.928 ( 0.349 0.328 -3.039) 3.077 23.928 ( 0.349 0.328 3.039) 3.077 24.131 ( -1.274 0.717 -3.229) 3.544 24.131 ( -1.274 0.717 3.229) 3.544 24.387 ( -10.560 -0.112 -2.439) 10.838 24.387 ( -10.560 -0.112 2.439) 10.838 24.770 ( 9.556 0.471 -6.766) 11.718 24.770 ( 9.556 0.471 6.766) 11.718 25.222 ( 9.274 -0.157 -6.078) 11.089 25.222 ( 9.274 -0.157 6.078) 11.089 25.335 ( -8.743 0.680 -10.558) 13.725 25.335 ( -8.743 0.680 10.558) 13.725 25.695 ( 20.630 -0.689 -6.805) 21.734 25.695 ( 20.630 -0.689 6.805) 21.734 25.860 ( 1.574 -0.020 -3.876) 4.184 25.860 ( 1.574 -0.020 3.876) 4.184 26.190 ( 19.062 -0.084 -15.389) 24.499 26.190 ( 19.062 -0.084 15.389) 24.499 26.868 ( -1.164 -0.054 -1.122) 1.618 26.868 ( -1.164 -0.054 1.122) 1.618 27.001 ( -10.455 -0.672 -17.390) 20.302 27.001 ( -10.455 -0.672 17.390) 20.302 27.499 ( -38.837 -2.217 -4.912) 39.209 27.499 ( -38.837 -2.217 4.912) 39.209 28.202 ( 6.276 -0.208 -10.557) 12.283 28.202 ( 6.276 -0.208 10.557) 12.283 28.391 ( 0.952 -1.511 -9.046) 9.221 28.391 ( 0.952 -1.511 9.047) 9.221 28.669 ( -11.564 -0.700 -2.714) 11.899 28.669 ( -11.564 -0.700 2.714) 11.899 29.078 ( 16.108 -0.949 -2.988) 16.411 29.078 ( 16.108 -0.949 2.988) 16.411 29.381 ( -5.143 -0.238 -4.301) 6.708 29.381 ( -5.143 -0.238 4.301) 6.708 29.722 ( -0.338 -0.676 -1.035) 1.282 29.722 ( -0.338 -0.676 1.035) 1.282 30.077 ( 11.090 -0.794 -1.206) 11.183 30.077 ( 11.090 -0.794 1.206) 11.183 30.744 ( -0.401 0.126 -2.429) 2.465 30.744 ( -0.401 0.126 2.429) 2.465 30.797 ( -0.329 -1.846 -2.393) 3.040 30.797 ( -0.329 -1.846 2.393) 3.040 30.893 ( 2.904 -0.402 -4.043) 4.994 30.893 ( 2.904 -0.402 4.043) 4.994 31.150 ( -9.474 -1.276 -5.202) 10.884 31.150 ( -9.474 -1.276 5.202) 10.884 31.337 ( 4.586 -0.514 -9.544) 10.601 31.337 ( 4.586 -0.514 9.544) 10.601 31.685 ( 2.195 -0.613 -4.897) 5.401 31.685 ( 2.195 -0.613 4.897) 5.401 31.765 ( 1.319 -1.417 -2.445) 3.119 31.765 ( 1.319 -1.417 2.445) 3.119 32.214 ( 0.144 -0.404 -3.365) 3.392 32.214 ( 0.144 -0.404 3.365) 3.392 32.739 ( -15.571 -1.982 -11.494) 19.455 32.739 ( -15.571 -1.982 11.494) 19.455 33.180 ( 1.663 -1.627 -7.415) 7.771 33.180 ( 1.663 -1.627 7.415) 7.771 33.583 ( 4.667 -0.554 -1.448) 4.918 33.583 ( 4.667 -0.554 1.448) 4.918 34.495 ( 16.776 -2.865 -10.237) 19.860 34.495 ( 16.776 -2.865 10.237) 19.860 35.770 ( -11.678 -5.536 -23.104) 26.473 35.770 ( -11.678 -5.536 23.104) 26.473 ======================= Grid point 164 (54/54) ======================= q-point: (-0.50 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.000 5.696 -1.034) 5.789 2.289 ( 0.000 5.696 1.034) 5.789 2.433 ( 0.000 -4.901 -2.805) 5.646 2.433 ( 0.000 -4.901 2.805) 5.646 2.807 ( 0.000 4.476 -0.535) 4.508 2.807 ( 0.000 4.476 0.535) 4.508 2.885 ( -0.000 1.334 -4.074) 4.287 2.885 ( -0.000 1.334 4.074) 4.287 2.975 ( -0.000 -1.656 -0.236) 1.672 2.975 ( -0.000 -1.656 0.236) 1.672 3.233 ( 0.000 0.239 -0.230) 0.332 3.233 ( 0.000 0.239 0.230) 0.332 3.318 ( -0.000 5.089 -1.973) 5.458 3.318 ( -0.000 5.089 1.973) 5.458 3.375 ( 0.000 2.313 -0.639) 2.400 3.375 ( 0.000 2.313 0.639) 2.400 3.556 ( 0.000 1.874 -2.357) 3.011 3.556 ( 0.000 1.874 2.358) 3.011 3.576 ( 0.000 3.126 -0.093) 3.127 3.576 ( 0.000 3.126 0.093) 3.127 3.646 ( -0.000 -3.651 -3.330) 4.941 3.646 ( -0.000 -3.651 3.330) 4.941 3.813 ( 0.000 -0.165 -0.387) 0.420 3.813 ( 0.000 -0.165 0.387) 0.420 4.087 ( -0.000 -0.253 -2.494) 2.507 4.087 ( -0.000 -0.253 2.494) 2.507 4.269 ( 0.000 -1.207 -1.209) 1.708 4.269 ( 0.000 -1.207 1.209) 1.708 4.345 ( 0.000 0.311 -0.797) 0.855 4.345 ( 0.000 0.311 0.797) 0.855 4.455 ( 0.000 1.974 -3.924) 4.393 4.455 ( 0.000 1.974 3.924) 4.393 5.168 ( 0.000 -2.047 -0.365) 2.079 5.168 ( 0.000 -2.047 0.365) 2.079 5.434 ( -0.000 -1.128 -0.467) 1.221 5.434 ( -0.000 -1.128 0.467) 1.221 6.114 ( 0.000 -2.508 -0.134) 2.511 6.114 ( 0.000 -2.508 0.134) 2.511 6.440 ( 0.000 -1.231 -1.178) 1.704 6.440 ( 0.000 -1.231 1.178) 1.704 6.725 ( -0.000 -2.479 -1.373) 2.834 6.725 ( -0.000 -2.479 1.373) 2.834 6.912 ( 0.000 -0.106 -2.632) 2.634 6.912 ( 0.000 -0.106 2.632) 2.634 7.017 ( -0.000 -1.860 -0.990) 2.106 7.017 ( -0.000 -1.860 0.990) 2.106 7.440 ( 0.000 -0.100 -3.536) 3.537 7.440 ( 0.000 -0.100 3.536) 3.537 7.458 ( 0.000 -0.620 -2.382) 2.462 7.458 ( 0.000 -0.620 2.382) 2.462 7.860 ( 0.000 0.718 -5.552) 5.598 7.860 ( 0.000 0.718 5.552) 5.598 7.913 ( 0.000 -4.849 -4.514) 6.625 7.913 ( 0.000 -4.849 4.514) 6.625 8.428 ( 0.000 3.756 -12.013) 12.586 8.428 ( 0.000 3.756 12.013) 12.586 8.509 ( 0.000 -3.318 -11.093) 11.579 8.509 ( 0.000 -3.318 11.093) 11.579 8.828 ( 0.000 1.010 -7.470) 7.538 8.828 ( -0.000 1.010 7.470) 7.538 8.884 ( -0.000 -2.575 -7.933) 8.341 8.884 ( -0.000 -2.575 7.933) 8.341 9.011 ( 0.000 -0.732 -1.834) 1.975 9.011 ( 0.000 -0.732 1.834) 1.975 9.679 ( 0.000 1.090 -1.174) 1.602 9.679 ( 0.000 1.090 1.174) 1.602 9.809 ( 0.000 0.626 -0.402) 0.744 9.809 ( -0.000 0.626 0.402) 0.744 9.958 ( -0.000 -0.498 -1.600) 1.676 9.958 ( -0.000 -0.498 1.600) 1.676 10.142 ( 0.000 -0.384 -0.309) 0.493 10.142 ( 0.000 -0.384 0.309) 0.493 10.589 ( 0.000 -0.805 -3.742) 3.828 10.589 ( 0.000 -0.805 3.742) 3.828 10.721 ( -0.000 -1.846 -3.402) 3.871 10.721 ( -0.000 -1.846 3.402) 3.871 10.857 ( 0.000 -0.172 -1.552) 1.561 10.857 ( 0.000 -0.172 1.552) 1.561 11.263 ( 0.000 -0.487 -1.661) 1.731 11.263 ( -0.000 -0.487 1.661) 1.731 11.507 ( 0.000 0.892 -2.705) 2.848 11.507 ( 0.000 0.892 2.705) 2.848 11.592 ( -0.000 -2.337 -2.566) 3.471 11.592 ( -0.000 -2.337 2.566) 3.471 12.093 ( 0.000 0.795 -2.553) 2.674 12.093 ( 0.000 0.795 2.553) 2.674 12.314 ( 0.000 -0.548 -1.033) 1.169 12.314 ( 0.000 -0.548 1.032) 1.169 12.326 ( -0.000 0.425 -0.016) 0.425 12.326 ( -0.000 0.425 0.016) 0.425 12.447 ( -0.000 -1.048 -2.060) 2.311 12.447 ( 0.000 -1.048 2.060) 2.311 12.526 ( 0.000 0.531 -1.982) 2.052 12.526 ( 0.000 0.531 1.982) 2.052 12.654 ( -0.000 -1.544 -2.185) 2.676 12.654 ( -0.000 -1.544 2.185) 2.676 12.850 ( 0.000 0.361 -0.558) 0.664 12.850 ( 0.000 0.361 0.558) 0.664 13.205 ( 0.000 1.153 -3.258) 3.456 13.205 ( -0.000 1.153 3.258) 3.456 13.238 ( 0.000 -1.404 -2.127) 2.549 13.238 ( 0.000 -1.404 2.127) 2.549 13.348 ( 0.000 1.294 -1.388) 1.898 13.348 ( -0.000 1.294 1.388) 1.898 13.835 ( 0.000 -0.119 -0.696) 0.706 13.835 ( 0.000 -0.119 0.696) 0.706 14.051 ( -0.000 0.285 -0.515) 0.588 14.051 ( -0.000 0.285 0.515) 0.588 14.321 ( 0.000 -0.436 -0.100) 0.448 14.321 ( 0.000 -0.436 0.100) 0.448 14.531 ( -0.000 -0.291 -2.160) 2.179 14.531 ( -0.000 -0.291 2.160) 2.179 14.846 ( 0.000 0.313 -3.855) 3.868 14.846 ( -0.000 0.313 3.855) 3.868 15.102 ( -0.000 -0.621 -1.541) 1.661 15.102 ( 0.000 -0.621 1.541) 1.661 15.397 ( -0.000 0.253 -0.201) 0.323 15.397 ( -0.000 0.253 0.201) 0.323 15.961 ( 0.000 0.735 -2.484) 2.591 15.961 ( 0.000 0.736 2.484) 2.591 16.110 ( 0.000 0.639 -1.248) 1.402 16.110 ( 0.000 0.639 1.248) 1.402 16.200 ( -0.000 -0.065 -2.715) 2.716 16.200 ( -0.000 -0.065 2.715) 2.716 16.646 ( 0.000 -0.138 -0.215) 0.256 16.646 ( 0.000 -0.138 0.216) 0.256 17.010 ( 0.000 -0.012 -0.292) 0.292 17.010 ( 0.000 -0.012 0.292) 0.292 17.749 ( -0.000 -0.733 -2.795) 2.889 17.749 ( 0.000 -0.733 2.795) 2.889 17.923 ( 0.000 -0.101 -0.498) 0.508 17.923 ( 0.000 -0.101 0.498) 0.508 18.010 ( -0.000 -0.270 -1.351) 1.377 18.010 ( -0.000 -0.270 1.351) 1.377 18.098 ( 0.000 -0.148 -0.733) 0.748 18.098 ( 0.000 -0.148 0.733) 0.748 18.598 ( -0.000 0.830 -0.810) 1.160 18.598 ( 0.000 0.830 0.810) 1.160 18.671 ( -0.000 1.614 -0.803) 1.803 18.671 ( -0.000 1.614 0.803) 1.803 18.722 ( 0.000 -0.888 -0.686) 1.122 18.722 ( 0.000 -0.888 0.686) 1.122 18.839 ( 0.000 -0.749 -0.213) 0.778 18.839 ( 0.000 -0.749 0.213) 0.778 19.171 ( 0.000 0.465 -1.177) 1.266 19.171 ( 0.000 0.465 1.177) 1.266 19.779 ( 0.000 -0.195 -0.397) 0.442 19.779 ( -0.000 -0.195 0.397) 0.442 20.063 ( 0.000 0.368 -0.088) 0.378 20.063 ( 0.000 0.368 0.088) 0.378 20.369 ( -0.000 1.778 -2.393) 2.981 20.369 ( 0.000 1.778 2.393) 2.981 20.406 ( 0.000 -1.371 -3.054) 3.348 20.406 ( -0.000 -1.371 3.054) 3.348 20.584 ( 0.000 -0.339 -0.194) 0.391 20.584 ( -0.000 -0.339 0.194) 0.391 20.794 ( 0.000 -0.359 -0.629) 0.724 20.794 ( 0.000 -0.359 0.629) 0.724 21.153 ( 0.000 -0.141 -0.942) 0.953 21.153 ( 0.000 -0.141 0.942) 0.953 21.261 ( 0.000 -0.408 -0.006) 0.408 21.261 ( 0.000 -0.408 0.006) 0.408 21.286 ( -0.000 -0.255 -0.359) 0.440 21.286 ( -0.000 -0.255 0.359) 0.440 22.270 ( -0.000 -0.242 -1.030) 1.058 22.270 ( -0.000 -0.242 1.030) 1.058 22.615 ( 0.000 0.508 -0.753) 0.908 22.615 ( 0.000 0.508 0.753) 0.908 22.877 ( 0.000 0.587 -0.177) 0.613 22.877 ( 0.000 0.587 0.177) 0.613 23.133 ( 0.000 -0.518 -0.147) 0.538 23.133 ( -0.000 -0.518 0.147) 0.538 23.518 ( 0.000 1.119 -0.057) 1.121 23.518 ( -0.000 1.119 0.057) 1.121 23.764 ( -0.000 0.160 -0.531) 0.554 23.764 ( -0.000 0.160 0.531) 0.554 23.933 ( 0.000 0.374 -0.703) 0.796 23.933 ( 0.000 0.374 0.703) 0.796 24.116 ( 0.000 0.851 -0.606) 1.045 24.116 ( 0.000 0.851 0.605) 1.045 24.270 ( 0.000 -0.196 -0.474) 0.512 24.270 ( 0.000 -0.196 0.474) 0.512 24.898 ( 0.000 0.771 -0.297) 0.826 24.898 ( 0.000 0.771 0.297) 0.826 25.219 ( 0.000 0.499 -0.049) 0.502 25.219 ( 0.000 0.499 0.049) 0.502 25.290 ( 0.000 0.001 -0.147) 0.147 25.290 ( 0.000 0.001 0.147) 0.147 25.862 ( 0.000 -0.041 -0.250) 0.254 25.862 ( -0.000 -0.041 0.250) 0.254 26.164 ( 0.000 -1.473 -1.619) 2.188 26.164 ( 0.000 -1.473 1.619) 2.188 26.498 ( -0.000 -0.071 -0.433) 0.439 26.498 ( -0.000 -0.071 0.433) 0.439 26.694 ( -0.000 -2.347 -0.882) 2.508 26.694 ( 0.000 -2.347 0.882) 2.508 26.807 ( 0.000 -0.543 -1.564) 1.655 26.807 ( -0.000 -0.543 1.564) 1.655 27.028 ( 0.000 -0.274 -0.808) 0.854 27.028 ( 0.000 -0.274 0.808) 0.854 28.347 ( -0.000 0.741 -8.436) 8.468 28.347 ( -0.000 0.741 8.436) 8.468 28.400 ( 0.000 -2.438 -8.340) 8.689 28.400 ( 0.000 -2.438 8.340) 8.689 28.454 ( 0.000 -0.772 -0.977) 1.245 28.454 ( 0.000 -0.772 0.977) 1.245 29.288 ( 0.000 0.664 -2.032) 2.138 29.288 ( 0.000 0.664 2.032) 2.138 29.320 ( -0.000 -1.339 -2.310) 2.669 29.320 ( -0.000 -1.339 2.310) 2.669 29.658 ( 0.000 -1.017 -0.375) 1.084 29.658 ( 0.000 -1.017 0.375) 1.084 30.267 ( 0.000 -0.483 -0.369) 0.608 30.267 ( 0.000 -0.483 0.369) 0.608 30.725 ( -0.000 -0.908 -0.633) 1.107 30.725 ( -0.000 -0.908 0.633) 1.107 30.805 ( 0.000 0.198 -0.008) 0.198 30.805 ( 0.000 0.198 0.008) 0.198 30.879 ( -0.000 -0.832 -0.234) 0.865 30.879 ( 0.000 -0.832 0.234) 0.865 31.048 ( 0.000 -1.897 -0.694) 2.020 31.048 ( -0.000 -1.897 0.694) 2.020 31.420 ( -0.000 -0.429 -1.057) 1.141 31.420 ( -0.000 -0.429 1.057) 1.141 31.716 ( 0.000 0.122 -2.889) 2.892 31.716 ( 0.000 0.122 2.889) 2.892 31.754 ( 0.000 -2.546 -4.225) 4.933 31.754 ( 0.000 -2.546 4.225) 4.933 32.222 ( -0.000 0.274 -1.417) 1.443 32.222 ( -0.000 0.274 1.417) 1.443 32.564 ( 0.000 -2.321 -1.432) 2.727 32.564 ( 0.000 -2.321 1.432) 2.727 33.193 ( 0.000 -1.536 -0.808) 1.735 33.193 ( 0.000 -1.536 0.808) 1.735 33.626 ( 0.000 -0.429 -0.422) 0.602 33.626 ( 0.000 -0.429 0.422) 0.602 34.735 ( 0.000 -4.521 -2.346) 5.093 34.735 ( 0.000 -4.521 2.346) 5.093 35.593 ( 0.000 -4.051 -1.349) 4.269 35.593 ( -0.000 -4.051 1.349) 4.269 =================== 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 3/42240 10.0 2842.012 1650.646 2734.218 0.000 0.000 -0.000 3/42240 20.0 438.371 193.325 501.914 0.000 0.000 -0.000 3/42240 30.0 167.999 83.838 194.184 0.000 0.000 -0.000 3/42240 40.0 91.591 49.068 106.450 0.000 0.000 -0.000 3/42240 50.0 59.137 32.645 68.733 0.000 0.000 -0.000 3/42240 60.0 42.095 23.545 48.828 0.000 0.000 -0.000 3/42240 70.0 31.928 17.966 36.961 0.000 0.000 -0.000 3/42240 80.0 25.331 14.292 29.286 0.000 0.000 -0.000 3/42240 90.0 20.787 11.737 24.019 0.000 0.000 -0.000 3/42240 100.0 17.514 9.884 20.239 0.000 0.000 -0.000 3/42240 110.0 15.071 8.494 17.425 0.000 0.000 -0.000 3/42240 120.0 13.194 7.422 15.267 0.000 0.000 -0.000 3/42240 130.0 11.715 6.574 13.570 0.000 0.000 -0.000 3/42240 140.0 10.526 5.890 12.206 0.000 0.000 -0.000 3/42240 150.0 9.551 5.329 11.089 0.000 0.000 -0.000 3/42240 160.0 8.741 4.862 10.160 0.000 0.000 -0.000 3/42240 170.0 8.057 4.468 9.377 0.000 0.000 -0.000 3/42240 180.0 7.474 4.131 8.707 0.000 0.000 -0.000 3/42240 190.0 6.970 3.840 8.130 0.000 0.000 -0.000 3/42240 200.0 6.532 3.588 7.626 0.000 0.000 -0.000 3/42240 210.0 6.147 3.366 7.183 0.000 0.000 -0.000 3/42240 220.0 5.807 3.170 6.790 0.000 0.000 -0.000 3/42240 230.0 5.504 2.996 6.440 0.000 0.000 -0.000 3/42240 240.0 5.233 2.840 6.126 0.000 0.000 -0.000 3/42240 250.0 4.988 2.700 5.843 0.000 0.000 -0.000 3/42240 260.0 4.767 2.574 5.586 0.000 0.000 -0.000 3/42240 270.0 4.566 2.459 5.352 0.000 0.000 -0.000 3/42240 280.0 4.382 2.355 5.138 0.000 0.000 -0.000 3/42240 290.0 4.214 2.260 4.942 0.000 0.000 -0.000 3/42240 300.0 4.059 2.172 4.761 0.000 0.000 -0.000 3/42240 310.0 3.916 2.091 4.593 0.000 0.000 -0.000 3/42240 320.0 3.783 2.017 4.438 0.000 0.000 -0.000 3/42240 330.0 3.660 1.948 4.294 0.000 0.000 -0.000 3/42240 340.0 3.545 1.884 4.159 0.000 0.000 -0.000 3/42240 350.0 3.438 1.825 4.033 0.000 0.000 -0.000 3/42240 360.0 3.338 1.769 3.915 0.000 0.000 -0.000 3/42240 370.0 3.244 1.717 3.804 0.000 0.000 -0.000 3/42240 380.0 3.156 1.668 3.700 0.000 0.000 -0.000 3/42240 390.0 3.072 1.622 3.602 0.000 0.000 -0.000 3/42240 400.0 2.994 1.579 3.509 0.000 0.000 -0.000 3/42240 410.0 2.919 1.538 3.421 0.000 0.000 -0.000 3/42240 420.0 2.849 1.500 3.338 0.000 0.000 -0.000 3/42240 430.0 2.782 1.464 3.259 0.000 0.000 -0.000 3/42240 440.0 2.718 1.429 3.184 0.000 0.000 -0.000 3/42240 450.0 2.658 1.396 3.112 0.000 0.000 -0.000 3/42240 460.0 2.600 1.365 3.044 0.000 0.000 -0.000 3/42240 470.0 2.545 1.336 2.979 0.000 0.000 -0.000 3/42240 480.0 2.492 1.307 2.917 0.000 0.000 -0.000 3/42240 490.0 2.442 1.280 2.857 0.000 0.000 -0.000 3/42240 500.0 2.394 1.254 2.800 0.000 0.000 -0.000 3/42240 510.0 2.347 1.230 2.746 0.000 0.000 -0.000 3/42240 520.0 2.303 1.206 2.693 0.000 0.000 -0.000 3/42240 530.0 2.260 1.183 2.643 0.000 0.000 -0.000 3/42240 540.0 2.219 1.161 2.595 0.000 0.000 -0.000 3/42240 550.0 2.180 1.140 2.548 0.000 0.000 -0.000 3/42240 560.0 2.142 1.120 2.503 0.000 0.000 -0.000 3/42240 570.0 2.105 1.101 2.460 0.000 0.000 -0.000 3/42240 580.0 2.070 1.082 2.418 0.000 0.000 -0.000 3/42240 590.0 2.036 1.064 2.378 0.000 0.000 -0.000 3/42240 600.0 2.003 1.047 2.339 0.000 0.000 -0.000 3/42240 610.0 1.971 1.030 2.301 0.000 0.000 -0.000 3/42240 620.0 1.940 1.014 2.265 0.000 0.000 -0.000 3/42240 630.0 1.910 0.998 2.230 0.000 0.000 -0.000 3/42240 640.0 1.881 0.983 2.196 0.000 0.000 -0.000 3/42240 650.0 1.853 0.968 2.163 0.000 0.000 -0.000 3/42240 660.0 1.826 0.954 2.131 0.000 0.000 -0.000 3/42240 670.0 1.800 0.940 2.100 0.000 0.000 -0.000 3/42240 680.0 1.774 0.926 2.069 0.000 0.000 -0.000 3/42240 690.0 1.749 0.913 2.040 0.000 0.000 -0.000 3/42240 700.0 1.725 0.901 2.012 0.000 0.000 -0.000 3/42240 710.0 1.701 0.888 1.984 0.000 0.000 -0.000 3/42240 720.0 1.679 0.876 1.957 0.000 0.000 -0.000 3/42240 730.0 1.656 0.865 1.931 0.000 0.000 -0.000 3/42240 740.0 1.635 0.853 1.906 0.000 0.000 -0.000 3/42240 750.0 1.614 0.842 1.881 0.000 0.000 -0.000 3/42240 760.0 1.593 0.832 1.857 0.000 0.000 -0.000 3/42240 770.0 1.573 0.821 1.833 0.000 0.000 -0.000 3/42240 780.0 1.554 0.811 1.810 0.000 0.000 -0.000 3/42240 790.0 1.535 0.801 1.788 0.000 0.000 -0.000 3/42240 800.0 1.516 0.792 1.766 0.000 0.000 -0.000 3/42240 810.0 1.498 0.782 1.745 0.000 0.000 -0.000 3/42240 820.0 1.480 0.773 1.724 0.000 0.000 -0.000 3/42240 830.0 1.463 0.764 1.704 0.000 0.000 -0.000 3/42240 840.0 1.446 0.755 1.684 0.000 0.000 -0.000 3/42240 850.0 1.430 0.747 1.665 0.000 0.000 -0.000 3/42240 860.0 1.414 0.738 1.646 0.000 0.000 -0.000 3/42240 870.0 1.398 0.730 1.628 0.000 0.000 -0.000 3/42240 880.0 1.383 0.722 1.610 0.000 0.000 -0.000 3/42240 890.0 1.368 0.714 1.592 0.000 0.000 -0.000 3/42240 900.0 1.353 0.706 1.575 0.000 0.000 -0.000 3/42240 910.0 1.339 0.699 1.558 0.000 0.000 -0.000 3/42240 920.0 1.324 0.692 1.542 0.000 0.000 -0.000 3/42240 930.0 1.311 0.684 1.526 0.000 0.000 -0.000 3/42240 940.0 1.297 0.677 1.510 0.000 0.000 -0.000 3/42240 950.0 1.284 0.671 1.494 0.000 0.000 -0.000 3/42240 960.0 1.271 0.664 1.479 0.000 0.000 -0.000 3/42240 970.0 1.258 0.657 1.464 0.000 0.000 -0.000 3/42240 980.0 1.246 0.651 1.450 0.000 0.000 -0.000 3/42240 990.0 1.234 0.644 1.435 0.000 0.000 -0.000 3/42240 1000.0 1.222 0.638 1.421 0.000 0.000 -0.000 3/42240 Thermal conductivity related properties were written into "kappa-m4114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:02:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|