----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:00:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.499204990000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.526622190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.750123680000000 Atomic positions (fractional): *1 Sr 0.72565853970843 0.64514039903877 0.62615537939351 87.620 *2 Sr 0.96214783135648 0.73681421224894 0.47881640369384 87.620 3 Sr 0.77434146029157 0.14514039903877 0.62615537939351 87.620 *4 Sr 0.50000000000000 0.93700731316655 0.25000000000000 87.620 *5 Sr 0.29476006708069 0.60773748024656 0.12264403146771 87.620 6 Sr 0.46214783135648 0.23681421224894 0.02118359630616 87.620 7 Sr 0.50000000000000 0.06299268683345 0.75000000000000 87.620 8 Sr 0.03785216864352 0.73681421224894 0.02118359630616 87.620 9 Sr 0.70523993291931 0.60773748024656 0.37735596853229 87.620 10 Sr 0.00000000000000 0.56299268683345 0.75000000000000 87.620 11 Sr 0.27434146029157 0.35485960096122 0.37384462060649 87.620 12 Sr 0.77434146029157 0.85485960096123 0.12615537939351 87.620 13 Sr 0.20523993291931 0.89226251975344 0.62264403146771 87.620 14 Sr 0.79476006708069 0.10773748024656 0.37735596853229 87.620 15 Sr 0.53785216864352 0.23681421224894 0.47881640369384 87.620 16 Sr 0.27434146029157 0.64514039903877 0.87384462060649 87.620 17 Sr 0.96214783135648 0.26318578775106 0.97881640369384 87.620 18 Sr 0.22565853970843 0.14514039903877 0.87384462060649 87.620 19 Sr 0.03785216864352 0.26318578775106 0.52118359630616 87.620 20 Sr 0.00000000000000 0.43700731316655 0.25000000000000 87.620 21 Sr 0.79476006708069 0.89226251975344 0.87735596853229 87.620 22 Sr 0.22565853970843 0.85485960096123 0.37384462060649 87.620 23 Sr 0.72565853970843 0.35485960096122 0.12615537939351 87.620 24 Sr 0.70523993291931 0.39226251975344 0.87735596853229 87.620 25 Sr 0.53785216864352 0.76318578775106 0.97881640369384 87.620 26 Sr 0.29476006708069 0.39226251975344 0.62264403146771 87.620 27 Sr 0.20523993291931 0.10773748024656 0.12264403146771 87.620 28 Sr 0.46214783135648 0.76318578775106 0.52118359630616 87.620 *29 Ge 0.50000000000000 0.57260407850069 0.75000000000000 72.640 30 Ge 0.00000000000000 0.92739592149931 0.25000000000000 72.640 31 Ge 0.50000000000000 0.42739592149931 0.25000000000000 72.640 32 Ge 0.00000000000000 0.07260407850069 0.75000000000000 72.640 *33 N 0.04551129366561 0.90356101646483 0.85659792833356 14.007 *34 N 0.62685951600918 0.74379355074684 0.79149295817641 14.007 35 N 0.54551129366561 0.40356101646483 0.64340207166644 14.007 36 N 0.87314048399082 0.24379355074684 0.79149295817641 14.007 *37 N 0.83372783133254 0.59440432790308 0.00255229074284 14.007 38 N 0.16627216866746 0.59440432790308 0.49744770925716 14.007 39 N 0.95448870633439 0.90356101646483 0.64340207166644 14.007 40 N 0.33372783133254 0.90559567209692 0.99744770925716 14.007 41 N 0.83372783133254 0.40559567209692 0.50255229074284 14.007 42 N 0.12685951600918 0.75620644925316 0.20850704182359 14.007 43 N 0.37314048399082 0.74379355074684 0.70850704182359 14.007 44 N 0.16627216866746 0.40559567209692 0.99744770925716 14.007 45 N 0.54551129366561 0.59643898353517 0.14340207166644 14.007 46 N 0.45448870633439 0.59643898353517 0.35659792833356 14.007 47 N 0.62685951600918 0.25620644925316 0.29149295817641 14.007 48 N 0.87314048399082 0.75620644925316 0.29149295817641 14.007 49 N 0.66627216866746 0.09440432790308 0.00255229074284 14.007 50 N 0.04551129366561 0.09643898353517 0.35659792833356 14.007 51 N 0.12685951600918 0.24379355074684 0.70850704182359 14.007 52 N 0.95448870633439 0.09643898353517 0.14340207166644 14.007 53 N 0.66627216866746 0.90559567209692 0.50255229074284 14.007 54 N 0.33372783133254 0.09440432790308 0.49744770925716 14.007 55 N 0.45448870633439 0.40356101646483 0.85659792833356 14.007 56 N 0.37314048399082 0.25620644925316 0.20850704182359 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.499204990000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.526622190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.750123680000000 Atomic positions (fractional): *1 Sr 0.72565853970843 0.64514039903877 0.62615537939351 87.620 > 1 *2 Sr 0.96214783135648 0.73681421224894 0.47881640369384 87.620 > 2 3 Sr 0.77434146029157 0.14514039903877 0.62615537939351 87.620 > 3 *4 Sr 0.50000000000000 0.93700731316655 0.25000000000000 87.620 > 4 *5 Sr 0.29476006708069 0.60773748024656 0.12264403146771 87.620 > 5 6 Sr 0.46214783135648 0.23681421224894 0.02118359630616 87.620 > 6 7 Sr 0.50000000000000 0.06299268683345 0.75000000000000 87.620 > 7 8 Sr 0.03785216864352 0.73681421224894 0.02118359630616 87.620 > 8 9 Sr 0.70523993291931 0.60773748024656 0.37735596853229 87.620 > 9 10 Sr 0.00000000000000 0.56299268683345 0.75000000000000 87.620 > 10 11 Sr 0.27434146029157 0.35485960096122 0.37384462060649 87.620 > 11 12 Sr 0.77434146029157 0.85485960096123 0.12615537939351 87.620 > 12 13 Sr 0.20523993291931 0.89226251975344 0.62264403146771 87.620 > 13 14 Sr 0.79476006708069 0.10773748024656 0.37735596853229 87.620 > 14 15 Sr 0.53785216864352 0.23681421224894 0.47881640369384 87.620 > 15 16 Sr 0.27434146029157 0.64514039903877 0.87384462060649 87.620 > 16 17 Sr 0.96214783135648 0.26318578775106 0.97881640369384 87.620 > 17 18 Sr 0.22565853970843 0.14514039903877 0.87384462060649 87.620 > 18 19 Sr 0.03785216864352 0.26318578775106 0.52118359630616 87.620 > 19 20 Sr 0.00000000000000 0.43700731316655 0.25000000000000 87.620 > 20 21 Sr 0.79476006708069 0.89226251975344 0.87735596853229 87.620 > 21 22 Sr 0.22565853970843 0.85485960096123 0.37384462060649 87.620 > 22 23 Sr 0.72565853970843 0.35485960096122 0.12615537939351 87.620 > 23 24 Sr 0.70523993291931 0.39226251975344 0.87735596853229 87.620 > 24 25 Sr 0.53785216864352 0.76318578775106 0.97881640369384 87.620 > 25 26 Sr 0.29476006708069 0.39226251975344 0.62264403146771 87.620 > 26 27 Sr 0.20523993291931 0.10773748024656 0.12264403146771 87.620 > 27 28 Sr 0.46214783135648 0.76318578775106 0.52118359630616 87.620 > 28 *29 Ge 0.50000000000000 0.57260407850069 0.75000000000000 72.640 > 29 30 Ge 0.00000000000000 0.92739592149931 0.25000000000000 72.640 > 30 31 Ge 0.50000000000000 0.42739592149931 0.25000000000000 72.640 > 31 32 Ge 0.00000000000000 0.07260407850069 0.75000000000000 72.640 > 32 *33 N 0.04551129366561 0.90356101646483 0.85659792833356 14.007 > 33 *34 N 0.62685951600918 0.74379355074684 0.79149295817641 14.007 > 34 35 N 0.54551129366561 0.40356101646483 0.64340207166644 14.007 > 35 36 N 0.87314048399082 0.24379355074684 0.79149295817641 14.007 > 36 *37 N 0.83372783133254 0.59440432790308 0.00255229074284 14.007 > 37 38 N 0.16627216866746 0.59440432790308 0.49744770925716 14.007 > 38 39 N 0.95448870633439 0.90356101646483 0.64340207166644 14.007 > 39 40 N 0.33372783133254 0.90559567209692 0.99744770925716 14.007 > 40 41 N 0.83372783133254 0.40559567209692 0.50255229074284 14.007 > 41 42 N 0.12685951600918 0.75620644925316 0.20850704182359 14.007 > 42 43 N 0.37314048399082 0.74379355074684 0.70850704182359 14.007 > 43 44 N 0.16627216866746 0.40559567209692 0.99744770925716 14.007 > 44 45 N 0.54551129366561 0.59643898353517 0.14340207166644 14.007 > 45 46 N 0.45448870633439 0.59643898353517 0.35659792833356 14.007 > 46 47 N 0.62685951600918 0.25620644925316 0.29149295817641 14.007 > 47 48 N 0.87314048399082 0.75620644925316 0.29149295817641 14.007 > 48 49 N 0.66627216866746 0.09440432790308 0.00255229074284 14.007 > 49 50 N 0.04551129366561 0.09643898353517 0.35659792833356 14.007 > 50 51 N 0.12685951600918 0.24379355074684 0.70850704182359 14.007 > 51 52 N 0.95448870633439 0.09643898353517 0.14340207166644 14.007 > 52 53 N 0.66627216866746 0.90559567209692 0.50255229074284 14.007 > 53 54 N 0.33372783133254 0.09440432790308 0.49744770925716 14.007 > 54 55 N 0.45448870633439 0.40356101646483 0.85659792833356 14.007 > 55 56 N 0.37314048399082 0.25620644925316 0.20850704182359 14.007 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.499204990000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.053244380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.750123680000000 Atomic positions (fractional): *1 Sr 0.72565853970843 0.32257019951939 0.62615537939351 87.620 > 1 2 Sr 0.72565853970843 0.82257019951939 0.62615537939351 87.620 > 1 *3 Sr 0.96214783135648 0.36840710612447 0.47881640369384 87.620 > 2 4 Sr 0.96214783135648 0.86840710612447 0.47881640369384 87.620 > 2 5 Sr 0.77434146029157 0.07257019951939 0.62615537939351 87.620 > 3 6 Sr 0.77434146029157 0.57257019951939 0.62615537939351 87.620 > 3 *7 Sr 0.50000000000000 0.46850365658327 0.25000000000000 87.620 > 4 8 Sr 0.50000000000000 0.96850365658327 0.25000000000000 87.620 > 4 *9 Sr 0.29476006708069 0.30386874012328 0.12264403146771 87.620 > 5 10 Sr 0.29476006708069 0.80386874012328 0.12264403146771 87.620 > 5 11 Sr 0.46214783135648 0.11840710612447 0.02118359630616 87.620 > 6 12 Sr 0.46214783135648 0.61840710612447 0.02118359630616 87.620 > 6 13 Sr 0.50000000000000 0.03149634341673 0.75000000000000 87.620 > 7 14 Sr 0.50000000000000 0.53149634341673 0.75000000000000 87.620 > 7 15 Sr 0.03785216864352 0.36840710612447 0.02118359630616 87.620 > 8 16 Sr 0.03785216864352 0.86840710612447 0.02118359630616 87.620 > 8 17 Sr 0.70523993291931 0.30386874012328 0.37735596853229 87.620 > 9 18 Sr 0.70523993291931 0.80386874012328 0.37735596853229 87.620 > 9 19 Sr 0.00000000000000 0.28149634341673 0.75000000000000 87.620 > 10 20 Sr 0.00000000000000 0.78149634341673 0.75000000000000 87.620 > 10 21 Sr 0.27434146029157 0.17742980048061 0.37384462060649 87.620 > 11 22 Sr 0.27434146029157 0.67742980048061 0.37384462060649 87.620 > 11 23 Sr 0.77434146029157 0.42742980048061 0.12615537939351 87.620 > 12 24 Sr 0.77434146029157 0.92742980048061 0.12615537939351 87.620 > 12 25 Sr 0.20523993291931 0.44613125987672 0.62264403146771 87.620 > 13 26 Sr 0.20523993291931 0.94613125987672 0.62264403146771 87.620 > 13 27 Sr 0.79476006708069 0.05386874012328 0.37735596853229 87.620 > 14 28 Sr 0.79476006708069 0.55386874012328 0.37735596853229 87.620 > 14 29 Sr 0.53785216864352 0.11840710612447 0.47881640369384 87.620 > 15 30 Sr 0.53785216864352 0.61840710612447 0.47881640369384 87.620 > 15 31 Sr 0.27434146029157 0.32257019951939 0.87384462060649 87.620 > 16 32 Sr 0.27434146029157 0.82257019951939 0.87384462060649 87.620 > 16 33 Sr 0.96214783135648 0.13159289387553 0.97881640369384 87.620 > 17 34 Sr 0.96214783135648 0.63159289387553 0.97881640369384 87.620 > 17 35 Sr 0.22565853970843 0.07257019951939 0.87384462060649 87.620 > 18 36 Sr 0.22565853970843 0.57257019951939 0.87384462060649 87.620 > 18 37 Sr 0.03785216864352 0.13159289387553 0.52118359630616 87.620 > 19 38 Sr 0.03785216864352 0.63159289387553 0.52118359630616 87.620 > 19 39 Sr 0.00000000000000 0.21850365658327 0.25000000000000 87.620 > 20 40 Sr 0.00000000000000 0.71850365658327 0.25000000000000 87.620 > 20 41 Sr 0.79476006708069 0.44613125987672 0.87735596853229 87.620 > 21 42 Sr 0.79476006708069 0.94613125987672 0.87735596853229 87.620 > 21 43 Sr 0.22565853970843 0.42742980048061 0.37384462060649 87.620 > 22 44 Sr 0.22565853970843 0.92742980048061 0.37384462060649 87.620 > 22 45 Sr 0.72565853970843 0.17742980048061 0.12615537939351 87.620 > 23 46 Sr 0.72565853970843 0.67742980048061 0.12615537939351 87.620 > 23 47 Sr 0.70523993291931 0.19613125987672 0.87735596853229 87.620 > 24 48 Sr 0.70523993291931 0.69613125987672 0.87735596853229 87.620 > 24 49 Sr 0.53785216864352 0.38159289387553 0.97881640369384 87.620 > 25 50 Sr 0.53785216864352 0.88159289387553 0.97881640369384 87.620 > 25 51 Sr 0.29476006708069 0.19613125987672 0.62264403146771 87.620 > 26 52 Sr 0.29476006708069 0.69613125987672 0.62264403146771 87.620 > 26 53 Sr 0.20523993291931 0.05386874012328 0.12264403146771 87.620 > 27 54 Sr 0.20523993291931 0.55386874012328 0.12264403146771 87.620 > 27 55 Sr 0.46214783135648 0.38159289387553 0.52118359630616 87.620 > 28 56 Sr 0.46214783135648 0.88159289387553 0.52118359630616 87.620 > 28 *57 Ge 0.50000000000000 0.28630203925034 0.75000000000000 72.640 > 29 58 Ge 0.50000000000000 0.78630203925035 0.75000000000000 72.640 > 29 59 Ge 0.00000000000000 0.46369796074966 0.25000000000000 72.640 > 30 60 Ge 0.00000000000000 0.96369796074965 0.25000000000000 72.640 > 30 61 Ge 0.50000000000000 0.21369796074965 0.25000000000000 72.640 > 31 62 Ge 0.50000000000000 0.71369796074965 0.25000000000000 72.640 > 31 63 Ge 0.00000000000000 0.03630203925035 0.75000000000000 72.640 > 32 64 Ge 0.00000000000000 0.53630203925035 0.75000000000000 72.640 > 32 *65 N 0.04551129366561 0.45178050823242 0.85659792833356 14.007 > 33 66 N 0.04551129366561 0.95178050823242 0.85659792833356 14.007 > 33 *67 N 0.62685951600918 0.37189677537342 0.79149295817641 14.007 > 34 68 N 0.62685951600918 0.87189677537342 0.79149295817641 14.007 > 34 69 N 0.54551129366561 0.20178050823242 0.64340207166644 14.007 > 35 70 N 0.54551129366561 0.70178050823242 0.64340207166644 14.007 > 35 71 N 0.87314048399082 0.12189677537342 0.79149295817641 14.007 > 36 72 N 0.87314048399082 0.62189677537342 0.79149295817641 14.007 > 36 *73 N 0.83372783133254 0.29720216395154 0.00255229074284 14.007 > 37 74 N 0.83372783133254 0.79720216395154 0.00255229074284 14.007 > 37 75 N 0.16627216866746 0.29720216395154 0.49744770925716 14.007 > 38 76 N 0.16627216866746 0.79720216395154 0.49744770925716 14.007 > 38 77 N 0.95448870633439 0.45178050823242 0.64340207166644 14.007 > 39 78 N 0.95448870633439 0.95178050823242 0.64340207166644 14.007 > 39 79 N 0.33372783133254 0.45279783604846 0.99744770925716 14.007 > 40 80 N 0.33372783133254 0.95279783604846 0.99744770925716 14.007 > 40 81 N 0.83372783133254 0.20279783604846 0.50255229074284 14.007 > 41 82 N 0.83372783133254 0.70279783604846 0.50255229074284 14.007 > 41 83 N 0.12685951600918 0.37810322462658 0.20850704182359 14.007 > 42 84 N 0.12685951600918 0.87810322462658 0.20850704182359 14.007 > 42 85 N 0.37314048399082 0.37189677537342 0.70850704182359 14.007 > 43 86 N 0.37314048399082 0.87189677537342 0.70850704182359 14.007 > 43 87 N 0.16627216866746 0.20279783604846 0.99744770925716 14.007 > 44 88 N 0.16627216866746 0.70279783604846 0.99744770925716 14.007 > 44 89 N 0.54551129366561 0.29821949176758 0.14340207166644 14.007 > 45 90 N 0.54551129366561 0.79821949176758 0.14340207166644 14.007 > 45 91 N 0.45448870633439 0.29821949176758 0.35659792833356 14.007 > 46 92 N 0.45448870633439 0.79821949176758 0.35659792833356 14.007 > 46 93 N 0.62685951600918 0.12810322462658 0.29149295817641 14.007 > 47 94 N 0.62685951600918 0.62810322462658 0.29149295817641 14.007 > 47 95 N 0.87314048399082 0.37810322462658 0.29149295817641 14.007 > 48 96 N 0.87314048399082 0.87810322462658 0.29149295817641 14.007 > 48 97 N 0.66627216866746 0.04720216395154 0.00255229074284 14.007 > 49 98 N 0.66627216866746 0.54720216395154 0.00255229074284 14.007 > 49 99 N 0.04551129366561 0.04821949176758 0.35659792833356 14.007 > 50 100 N 0.04551129366561 0.54821949176758 0.35659792833356 14.007 > 50 101 N 0.12685951600918 0.12189677537342 0.70850704182359 14.007 > 51 102 N 0.12685951600918 0.62189677537342 0.70850704182359 14.007 > 51 103 N 0.95448870633439 0.04821949176758 0.14340207166644 14.007 > 52 104 N 0.95448870633439 0.54821949176758 0.14340207166644 14.007 > 52 105 N 0.66627216866746 0.45279783604846 0.50255229074284 14.007 > 53 106 N 0.66627216866746 0.95279783604846 0.50255229074284 14.007 > 53 107 N 0.33372783133254 0.04720216395154 0.49744770925716 14.007 > 54 108 N 0.33372783133254 0.54720216395154 0.49744770925716 14.007 > 54 109 N 0.45448870633439 0.20178050823242 0.85659792833356 14.007 > 55 110 N 0.45448870633439 0.70178050823242 0.85659792833356 14.007 > 55 111 N 0.37314048399082 0.12810322462658 0.20850704182359 14.007 > 56 112 N 0.37314048399082 0.62810322462658 0.20850704182359 14.007 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1164790 0.0000000 0.0000000 0.0000000 7.0244033 0.0000000 0.0000000 0.0000000 6.9423941 -------------------------- Born effective charges -------------------------- 1 Sr 2.0852571 0.0388728 -0.3370296 0.1370479 2.1568500 -0.2139245 -0.3640841 -0.2953035 2.0756234 2 Sr 2.4057605 0.1336788 0.0246219 0.0871198 2.0451289 0.1981776 0.0380002 -0.0063594 2.0880704 3 Sr 2.0852571 -0.0388728 0.3370296 -0.1370479 2.1568500 -0.2139245 0.3640841 -0.2953035 2.0756234 4 Sr 1.9845973 -0.0000000 0.1047229 -0.0000000 3.4142410 -0.0000000 0.0267848 0.0000000 2.5117999 5 Sr 2.3500756 -0.1496489 0.1662847 -0.2009322 2.0466373 -0.1148905 0.2523436 -0.1824492 2.1855679 6 Sr 2.4057605 0.1336788 -0.0246219 0.0871198 2.0451289 -0.1981776 -0.0380002 0.0063594 2.0880704 7 Sr 1.9845973 -0.0000000 0.1047229 -0.0000000 3.4142410 -0.0000000 0.0267848 0.0000000 2.5117999 8 Sr 2.4057605 -0.1336788 0.0246219 -0.0871198 2.0451289 -0.1981776 0.0380002 0.0063594 2.0880704 9 Sr 2.3500756 0.1496489 0.1662847 0.2009322 2.0466373 0.1148905 0.2523436 0.1824492 2.1855679 10 Sr 1.9845973 -0.0000000 -0.1047229 -0.0000000 3.4142410 -0.0000000 -0.0267848 0.0000000 2.5117999 11 Sr 2.0852571 0.0388728 -0.3370296 0.1370479 2.1568500 -0.2139245 -0.3640841 -0.2953035 2.0756234 12 Sr 2.0852571 0.0388728 0.3370296 0.1370479 2.1568500 0.2139245 0.3640841 0.2953035 2.0756234 13 Sr 2.3500756 -0.1496489 -0.1662847 -0.2009322 2.0466373 0.1148905 -0.2523436 0.1824492 2.1855679 14 Sr 2.3500756 -0.1496489 -0.1662847 -0.2009322 2.0466373 0.1148905 -0.2523436 0.1824492 2.1855679 15 Sr 2.4057605 -0.1336788 -0.0246219 -0.0871198 2.0451289 0.1981776 -0.0380002 -0.0063594 2.0880704 16 Sr 2.0852571 -0.0388728 -0.3370296 -0.1370479 2.1568500 0.2139245 -0.3640841 0.2953035 2.0756234 17 Sr 2.4057605 -0.1336788 0.0246219 -0.0871198 2.0451289 -0.1981776 0.0380002 0.0063594 2.0880704 18 Sr 2.0852571 0.0388728 0.3370296 0.1370479 2.1568500 0.2139245 0.3640841 0.2953035 2.0756234 19 Sr 2.4057605 0.1336788 0.0246219 0.0871198 2.0451289 0.1981776 0.0380002 -0.0063594 2.0880704 20 Sr 1.9845973 -0.0000000 -0.1047229 -0.0000000 3.4142410 -0.0000000 -0.0267848 0.0000000 2.5117999 21 Sr 2.3500756 0.1496489 -0.1662847 0.2009322 2.0466373 -0.1148905 -0.2523436 -0.1824492 2.1855679 22 Sr 2.0852571 -0.0388728 0.3370296 -0.1370479 2.1568500 -0.2139245 0.3640841 -0.2953035 2.0756234 23 Sr 2.0852571 -0.0388728 -0.3370296 -0.1370479 2.1568500 0.2139245 -0.3640841 0.2953035 2.0756234 24 Sr 2.3500756 -0.1496489 0.1662847 -0.2009322 2.0466373 -0.1148905 0.2523436 -0.1824492 2.1855679 25 Sr 2.4057605 0.1336788 -0.0246219 0.0871198 2.0451289 -0.1981776 -0.0380002 0.0063594 2.0880704 26 Sr 2.3500756 0.1496489 0.1662847 0.2009322 2.0466373 0.1148905 0.2523436 0.1824492 2.1855679 27 Sr 2.3500756 0.1496489 -0.1662847 0.2009322 2.0466373 -0.1148905 -0.2523436 -0.1824492 2.1855679 28 Sr 2.4057605 -0.1336788 -0.0246219 -0.0871198 2.0451289 0.1981776 -0.0380002 -0.0063594 2.0880704 29 Ge 2.8668543 -0.0000000 0.0403575 -0.0000000 2.5551149 -0.0000000 -0.1048347 0.0000000 2.7765068 30 Ge 2.8668543 -0.0000000 -0.0403575 -0.0000000 2.5551149 -0.0000000 0.1048347 0.0000000 2.7765068 31 Ge 2.8668543 -0.0000000 0.0403575 -0.0000000 2.5551149 -0.0000000 -0.1048347 0.0000000 2.7765068 32 Ge 2.8668543 -0.0000000 -0.0403575 -0.0000000 2.5551149 -0.0000000 0.1048347 0.0000000 2.7765068 33 N -2.7288612 0.1778650 -0.2890252 0.0464691 -3.0107782 0.5199771 -0.2488343 0.6211774 -3.2647647 34 N -3.2948941 -0.6613417 -0.3473637 -0.4656649 -2.9752028 -0.1861174 -0.3239265 -0.2220909 -2.8881278 35 N -2.7288612 0.1778650 0.2890252 0.0464691 -3.0107782 -0.5199771 0.2488343 -0.6211774 -3.2647647 36 N -3.2948941 0.6613417 0.3473637 0.4656649 -2.9752028 -0.1861174 0.3239265 -0.2220909 -2.8881278 37 N -3.2430637 -0.0239525 -0.0098479 0.0393524 -3.2473132 -0.1026993 0.0155484 -0.1276451 -2.8405225 38 N -3.2430637 0.0239525 -0.0098479 -0.0393524 -3.2473132 0.1026993 0.0155484 0.1276451 -2.8405225 39 N -2.7288612 -0.1778650 -0.2890252 -0.0464691 -3.0107782 -0.5199771 -0.2488343 -0.6211774 -3.2647647 40 N -3.2430637 0.0239525 0.0098479 -0.0393524 -3.2473132 -0.1026993 -0.0155484 -0.1276451 -2.8405225 41 N -3.2430637 0.0239525 -0.0098479 -0.0393524 -3.2473132 0.1026993 0.0155484 0.1276451 -2.8405225 42 N -3.2948941 0.6613417 0.3473637 0.4656649 -2.9752028 -0.1861174 0.3239265 -0.2220909 -2.8881278 43 N -3.2948941 0.6613417 -0.3473637 0.4656649 -2.9752028 0.1861174 -0.3239265 0.2220909 -2.8881278 44 N -3.2430637 -0.0239525 -0.0098479 0.0393524 -3.2473132 -0.1026993 0.0155484 -0.1276451 -2.8405225 45 N -2.7288612 -0.1778650 0.2890252 -0.0464691 -3.0107782 0.5199771 0.2488343 0.6211774 -3.2647647 46 N -2.7288612 0.1778650 0.2890252 0.0464691 -3.0107782 -0.5199771 0.2488343 -0.6211774 -3.2647647 47 N -3.2948941 0.6613417 -0.3473637 0.4656649 -2.9752028 0.1861174 -0.3239265 0.2220909 -2.8881278 48 N -3.2948941 -0.6613417 0.3473637 -0.4656649 -2.9752028 0.1861174 0.3239265 0.2220909 -2.8881278 49 N -3.2430637 0.0239525 0.0098479 -0.0393524 -3.2473132 -0.1026993 -0.0155484 -0.1276451 -2.8405225 50 N -2.7288612 -0.1778650 -0.2890252 -0.0464691 -3.0107782 -0.5199771 -0.2488343 -0.6211774 -3.2647647 51 N -3.2948941 -0.6613417 0.3473637 -0.4656649 -2.9752028 0.1861174 0.3239265 0.2220909 -2.8881278 52 N -2.7288612 0.1778650 -0.2890252 0.0464691 -3.0107782 0.5199771 -0.2488343 0.6211774 -3.2647647 53 N -3.2430637 -0.0239525 0.0098479 0.0393524 -3.2473132 0.1026993 -0.0155484 0.1276451 -2.8405225 54 N -3.2430637 -0.0239525 0.0098479 0.0393524 -3.2473132 0.1026993 -0.0155484 0.1276451 -2.8405225 55 N -2.7288612 -0.1778650 0.2890252 -0.0464691 -3.0107782 0.5199771 0.2488343 0.6211774 -3.2647647 56 N -3.2948941 -0.6613417 -0.3473637 -0.4656649 -2.9752028 -0.1861174 -0.3239265 -0.2220909 -2.8881278 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (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: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (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: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 14), data: (800, 30) @ (30, 14) |-- (300, 286), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.318 Solver_block: 200 / 880 - Time: 1.268 Solver_block: 300 / 880 - Time: 1.277 Solver_block: 400 / 880 - Time: 1.285 Solver_block: 500 / 880 - Time: 1.266 Solver_block: 600 / 880 - Time: 1.276 Solver_block: 700 / 880 - Time: 1.279 Solver_block: 800 / 880 - Time: 1.265 Solver_block: 880 / 880 - Time: 1.141 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.580 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (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: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (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: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 14), data: (800, 30) @ (30, 14) |-- (300, 286), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 18:01:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:01:13]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.499204990000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.526622190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.750123680000000 Atomic positions (fractional): 1 Sr 0.72565853970843 0.64514039903877 0.62615537939351 87.620 2 Sr 0.96214783135648 0.73681421224894 0.47881640369384 87.620 3 Sr 0.77434146029157 0.14514039903877 0.62615537939351 87.620 4 Sr 0.50000000000000 0.93700731316655 0.25000000000000 87.620 5 Sr 0.29476006708069 0.60773748024656 0.12264403146771 87.620 6 Sr 0.46214783135648 0.23681421224894 0.02118359630616 87.620 7 Sr 0.50000000000000 0.06299268683345 0.75000000000000 87.620 8 Sr 0.03785216864352 0.73681421224894 0.02118359630616 87.620 9 Sr 0.70523993291931 0.60773748024656 0.37735596853229 87.620 10 Sr 0.00000000000000 0.56299268683345 0.75000000000000 87.620 11 Sr 0.27434146029157 0.35485960096122 0.37384462060649 87.620 12 Sr 0.77434146029157 0.85485960096123 0.12615537939351 87.620 13 Sr 0.20523993291931 0.89226251975344 0.62264403146771 87.620 14 Sr 0.79476006708069 0.10773748024656 0.37735596853229 87.620 15 Sr 0.53785216864352 0.23681421224894 0.47881640369384 87.620 16 Sr 0.27434146029157 0.64514039903877 0.87384462060649 87.620 17 Sr 0.96214783135648 0.26318578775106 0.97881640369384 87.620 18 Sr 0.22565853970843 0.14514039903877 0.87384462060649 87.620 19 Sr 0.03785216864352 0.26318578775106 0.52118359630616 87.620 20 Sr 0.00000000000000 0.43700731316655 0.25000000000000 87.620 21 Sr 0.79476006708069 0.89226251975344 0.87735596853229 87.620 22 Sr 0.22565853970843 0.85485960096123 0.37384462060649 87.620 23 Sr 0.72565853970843 0.35485960096122 0.12615537939351 87.620 24 Sr 0.70523993291931 0.39226251975344 0.87735596853229 87.620 25 Sr 0.53785216864352 0.76318578775106 0.97881640369384 87.620 26 Sr 0.29476006708069 0.39226251975344 0.62264403146771 87.620 27 Sr 0.20523993291931 0.10773748024656 0.12264403146771 87.620 28 Sr 0.46214783135648 0.76318578775106 0.52118359630616 87.620 29 Ge 0.50000000000000 0.57260407850069 0.75000000000000 72.640 30 Ge 0.00000000000000 0.92739592149931 0.25000000000000 72.640 31 Ge 0.50000000000000 0.42739592149931 0.25000000000000 72.640 32 Ge 0.00000000000000 0.07260407850069 0.75000000000000 72.640 33 N 0.04551129366561 0.90356101646483 0.85659792833356 14.007 34 N 0.62685951600918 0.74379355074684 0.79149295817641 14.007 35 N 0.54551129366561 0.40356101646483 0.64340207166644 14.007 36 N 0.87314048399082 0.24379355074684 0.79149295817641 14.007 37 N 0.83372783133254 0.59440432790308 0.00255229074284 14.007 38 N 0.16627216866746 0.59440432790308 0.49744770925716 14.007 39 N 0.95448870633439 0.90356101646483 0.64340207166644 14.007 40 N 0.33372783133254 0.90559567209692 0.99744770925716 14.007 41 N 0.83372783133254 0.40559567209692 0.50255229074284 14.007 42 N 0.12685951600918 0.75620644925316 0.20850704182359 14.007 43 N 0.37314048399082 0.74379355074684 0.70850704182359 14.007 44 N 0.16627216866746 0.40559567209692 0.99744770925716 14.007 45 N 0.54551129366561 0.59643898353517 0.14340207166644 14.007 46 N 0.45448870633439 0.59643898353517 0.35659792833356 14.007 47 N 0.62685951600918 0.25620644925316 0.29149295817641 14.007 48 N 0.87314048399082 0.75620644925316 0.29149295817641 14.007 49 N 0.66627216866746 0.09440432790308 0.00255229074284 14.007 50 N 0.04551129366561 0.09643898353517 0.35659792833356 14.007 51 N 0.12685951600918 0.24379355074684 0.70850704182359 14.007 52 N 0.95448870633439 0.09643898353517 0.14340207166644 14.007 53 N 0.66627216866746 0.90559567209692 0.50255229074284 14.007 54 N 0.33372783133254 0.09440432790308 0.49744770925716 14.007 55 N 0.45448870633439 0.40356101646483 0.85659792833356 14.007 56 N 0.37314048399082 0.25620644925316 0.20850704182359 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.499204990000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.053244380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.750123680000000 Atomic positions (fractional): 1 Sr 0.72565853970843 0.32257019951939 0.62615537939351 87.620 > 1 2 Sr 0.72565853970843 0.82257019951939 0.62615537939351 87.620 > 1 3 Sr 0.96214783135648 0.36840710612447 0.47881640369384 87.620 > 3 4 Sr 0.96214783135648 0.86840710612447 0.47881640369384 87.620 > 3 5 Sr 0.77434146029157 0.07257019951939 0.62615537939351 87.620 > 5 6 Sr 0.77434146029157 0.57257019951939 0.62615537939351 87.620 > 5 7 Sr 0.50000000000000 0.46850365658327 0.25000000000000 87.620 > 7 8 Sr 0.50000000000000 0.96850365658327 0.25000000000000 87.620 > 7 9 Sr 0.29476006708069 0.30386874012328 0.12264403146771 87.620 > 9 10 Sr 0.29476006708069 0.80386874012328 0.12264403146771 87.620 > 9 11 Sr 0.46214783135648 0.11840710612447 0.02118359630616 87.620 > 11 12 Sr 0.46214783135648 0.61840710612447 0.02118359630616 87.620 > 11 13 Sr 0.50000000000000 0.03149634341673 0.75000000000000 87.620 > 13 14 Sr 0.50000000000000 0.53149634341673 0.75000000000000 87.620 > 13 15 Sr 0.03785216864352 0.36840710612447 0.02118359630616 87.620 > 15 16 Sr 0.03785216864352 0.86840710612447 0.02118359630616 87.620 > 15 17 Sr 0.70523993291931 0.30386874012328 0.37735596853229 87.620 > 17 18 Sr 0.70523993291931 0.80386874012328 0.37735596853229 87.620 > 17 19 Sr 0.00000000000000 0.28149634341673 0.75000000000000 87.620 > 19 20 Sr 0.00000000000000 0.78149634341673 0.75000000000000 87.620 > 19 21 Sr 0.27434146029157 0.17742980048061 0.37384462060649 87.620 > 21 22 Sr 0.27434146029157 0.67742980048061 0.37384462060649 87.620 > 21 23 Sr 0.77434146029157 0.42742980048061 0.12615537939351 87.620 > 23 24 Sr 0.77434146029157 0.92742980048061 0.12615537939351 87.620 > 23 25 Sr 0.20523993291931 0.44613125987672 0.62264403146771 87.620 > 25 26 Sr 0.20523993291931 0.94613125987672 0.62264403146771 87.620 > 25 27 Sr 0.79476006708069 0.05386874012328 0.37735596853229 87.620 > 27 28 Sr 0.79476006708069 0.55386874012328 0.37735596853229 87.620 > 27 29 Sr 0.53785216864352 0.11840710612447 0.47881640369384 87.620 > 29 30 Sr 0.53785216864352 0.61840710612447 0.47881640369384 87.620 > 29 31 Sr 0.27434146029157 0.32257019951939 0.87384462060649 87.620 > 31 32 Sr 0.27434146029157 0.82257019951939 0.87384462060649 87.620 > 31 33 Sr 0.96214783135648 0.13159289387553 0.97881640369384 87.620 > 33 34 Sr 0.96214783135648 0.63159289387553 0.97881640369384 87.620 > 33 35 Sr 0.22565853970843 0.07257019951939 0.87384462060649 87.620 > 35 36 Sr 0.22565853970843 0.57257019951939 0.87384462060649 87.620 > 35 37 Sr 0.03785216864352 0.13159289387553 0.52118359630616 87.620 > 37 38 Sr 0.03785216864352 0.63159289387553 0.52118359630616 87.620 > 37 39 Sr 0.00000000000000 0.21850365658327 0.25000000000000 87.620 > 39 40 Sr 0.00000000000000 0.71850365658327 0.25000000000000 87.620 > 39 41 Sr 0.79476006708069 0.44613125987672 0.87735596853229 87.620 > 41 42 Sr 0.79476006708069 0.94613125987672 0.87735596853229 87.620 > 41 43 Sr 0.22565853970843 0.42742980048061 0.37384462060649 87.620 > 43 44 Sr 0.22565853970843 0.92742980048061 0.37384462060649 87.620 > 43 45 Sr 0.72565853970843 0.17742980048061 0.12615537939351 87.620 > 45 46 Sr 0.72565853970843 0.67742980048061 0.12615537939351 87.620 > 45 47 Sr 0.70523993291931 0.19613125987672 0.87735596853229 87.620 > 47 48 Sr 0.70523993291931 0.69613125987672 0.87735596853229 87.620 > 47 49 Sr 0.53785216864352 0.38159289387553 0.97881640369384 87.620 > 49 50 Sr 0.53785216864352 0.88159289387553 0.97881640369384 87.620 > 49 51 Sr 0.29476006708069 0.19613125987672 0.62264403146771 87.620 > 51 52 Sr 0.29476006708069 0.69613125987672 0.62264403146771 87.620 > 51 53 Sr 0.20523993291931 0.05386874012328 0.12264403146771 87.620 > 53 54 Sr 0.20523993291931 0.55386874012328 0.12264403146771 87.620 > 53 55 Sr 0.46214783135648 0.38159289387553 0.52118359630616 87.620 > 55 56 Sr 0.46214783135648 0.88159289387553 0.52118359630616 87.620 > 55 57 Ge 0.50000000000000 0.28630203925034 0.75000000000000 72.640 > 57 58 Ge 0.50000000000000 0.78630203925035 0.75000000000000 72.640 > 57 59 Ge 0.00000000000000 0.46369796074966 0.25000000000000 72.640 > 59 60 Ge 0.00000000000000 0.96369796074965 0.25000000000000 72.640 > 59 61 Ge 0.50000000000000 0.21369796074965 0.25000000000000 72.640 > 61 62 Ge 0.50000000000000 0.71369796074965 0.25000000000000 72.640 > 61 63 Ge 0.00000000000000 0.03630203925035 0.75000000000000 72.640 > 63 64 Ge 0.00000000000000 0.53630203925035 0.75000000000000 72.640 > 63 65 N 0.04551129366561 0.45178050823242 0.85659792833356 14.007 > 65 66 N 0.04551129366561 0.95178050823242 0.85659792833356 14.007 > 65 67 N 0.62685951600918 0.37189677537342 0.79149295817641 14.007 > 67 68 N 0.62685951600918 0.87189677537342 0.79149295817641 14.007 > 67 69 N 0.54551129366561 0.20178050823242 0.64340207166644 14.007 > 69 70 N 0.54551129366561 0.70178050823242 0.64340207166644 14.007 > 69 71 N 0.87314048399082 0.12189677537342 0.79149295817641 14.007 > 71 72 N 0.87314048399082 0.62189677537342 0.79149295817641 14.007 > 71 73 N 0.83372783133254 0.29720216395154 0.00255229074284 14.007 > 73 74 N 0.83372783133254 0.79720216395154 0.00255229074284 14.007 > 73 75 N 0.16627216866746 0.29720216395154 0.49744770925716 14.007 > 75 76 N 0.16627216866746 0.79720216395154 0.49744770925716 14.007 > 75 77 N 0.95448870633439 0.45178050823242 0.64340207166644 14.007 > 77 78 N 0.95448870633439 0.95178050823242 0.64340207166644 14.007 > 77 79 N 0.33372783133254 0.45279783604846 0.99744770925716 14.007 > 79 80 N 0.33372783133254 0.95279783604846 0.99744770925716 14.007 > 79 81 N 0.83372783133254 0.20279783604846 0.50255229074284 14.007 > 81 82 N 0.83372783133254 0.70279783604846 0.50255229074284 14.007 > 81 83 N 0.12685951600918 0.37810322462658 0.20850704182359 14.007 > 83 84 N 0.12685951600918 0.87810322462658 0.20850704182359 14.007 > 83 85 N 0.37314048399082 0.37189677537342 0.70850704182359 14.007 > 85 86 N 0.37314048399082 0.87189677537342 0.70850704182359 14.007 > 85 87 N 0.16627216866746 0.20279783604846 0.99744770925716 14.007 > 87 88 N 0.16627216866746 0.70279783604846 0.99744770925716 14.007 > 87 89 N 0.54551129366561 0.29821949176758 0.14340207166644 14.007 > 89 90 N 0.54551129366561 0.79821949176758 0.14340207166644 14.007 > 89 91 N 0.45448870633439 0.29821949176758 0.35659792833356 14.007 > 91 92 N 0.45448870633439 0.79821949176758 0.35659792833356 14.007 > 91 93 N 0.62685951600918 0.12810322462658 0.29149295817641 14.007 > 93 94 N 0.62685951600918 0.62810322462658 0.29149295817641 14.007 > 93 95 N 0.87314048399082 0.37810322462658 0.29149295817641 14.007 > 95 96 N 0.87314048399082 0.87810322462658 0.29149295817641 14.007 > 95 97 N 0.66627216866746 0.04720216395154 0.00255229074284 14.007 > 97 98 N 0.66627216866746 0.54720216395154 0.00255229074284 14.007 > 97 99 N 0.04551129366561 0.04821949176758 0.35659792833356 14.007 > 99 100 N 0.04551129366561 0.54821949176758 0.35659792833356 14.007 > 99 101 N 0.12685951600918 0.12189677537342 0.70850704182359 14.007 > 101 102 N 0.12685951600918 0.62189677537342 0.70850704182359 14.007 > 101 103 N 0.95448870633439 0.04821949176758 0.14340207166644 14.007 > 103 104 N 0.95448870633439 0.54821949176758 0.14340207166644 14.007 > 103 105 N 0.66627216866746 0.45279783604846 0.50255229074284 14.007 > 105 106 N 0.66627216866746 0.95279783604846 0.50255229074284 14.007 > 105 107 N 0.33372783133254 0.04720216395154 0.49744770925716 14.007 > 107 108 N 0.33372783133254 0.54720216395154 0.49744770925716 14.007 > 107 109 N 0.45448870633439 0.20178050823242 0.85659792833356 14.007 > 109 110 N 0.45448870633439 0.70178050823242 0.85659792833356 14.007 > 109 111 N 0.37314048399082 0.12810322462658 0.20850704182359 14.007 > 111 112 N 0.37314048399082 0.62810322462658 0.20850704182359 14.007 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1164790 0.0000000 0.0000000 0.0000000 7.0244033 0.0000000 0.0000000 0.0000000 6.9423941 -------------------------- Born effective charges -------------------------- 1 Sr 2.0852571 0.0388728 -0.3370296 0.1370479 2.1568500 -0.2139245 -0.3640841 -0.2953035 2.0756234 2 Sr 2.4057605 0.1336788 0.0246219 0.0871198 2.0451289 0.1981776 0.0380002 -0.0063594 2.0880704 3 Sr 2.0852571 -0.0388728 0.3370296 -0.1370479 2.1568500 -0.2139245 0.3640841 -0.2953035 2.0756234 4 Sr 1.9845973 -0.0000000 0.1047229 -0.0000000 3.4142410 -0.0000000 0.0267848 0.0000000 2.5117999 5 Sr 2.3500756 -0.1496489 0.1662847 -0.2009322 2.0466373 -0.1148905 0.2523436 -0.1824492 2.1855679 6 Sr 2.4057605 0.1336788 -0.0246219 0.0871198 2.0451289 -0.1981776 -0.0380002 0.0063594 2.0880704 7 Sr 1.9845973 -0.0000000 0.1047229 -0.0000000 3.4142410 -0.0000000 0.0267848 0.0000000 2.5117999 8 Sr 2.4057605 -0.1336788 0.0246219 -0.0871198 2.0451289 -0.1981776 0.0380002 0.0063594 2.0880704 9 Sr 2.3500756 0.1496489 0.1662847 0.2009322 2.0466373 0.1148905 0.2523436 0.1824492 2.1855679 10 Sr 1.9845973 -0.0000000 -0.1047229 -0.0000000 3.4142410 -0.0000000 -0.0267848 0.0000000 2.5117999 11 Sr 2.0852571 0.0388728 -0.3370296 0.1370479 2.1568500 -0.2139245 -0.3640841 -0.2953035 2.0756234 12 Sr 2.0852571 0.0388728 0.3370296 0.1370479 2.1568500 0.2139245 0.3640841 0.2953035 2.0756234 13 Sr 2.3500756 -0.1496489 -0.1662847 -0.2009322 2.0466373 0.1148905 -0.2523436 0.1824492 2.1855679 14 Sr 2.3500756 -0.1496489 -0.1662847 -0.2009322 2.0466373 0.1148905 -0.2523436 0.1824492 2.1855679 15 Sr 2.4057605 -0.1336788 -0.0246219 -0.0871198 2.0451289 0.1981776 -0.0380002 -0.0063594 2.0880704 16 Sr 2.0852571 -0.0388728 -0.3370296 -0.1370479 2.1568500 0.2139245 -0.3640841 0.2953035 2.0756234 17 Sr 2.4057605 -0.1336788 0.0246219 -0.0871198 2.0451289 -0.1981776 0.0380002 0.0063594 2.0880704 18 Sr 2.0852571 0.0388728 0.3370296 0.1370479 2.1568500 0.2139245 0.3640841 0.2953035 2.0756234 19 Sr 2.4057605 0.1336788 0.0246219 0.0871198 2.0451289 0.1981776 0.0380002 -0.0063594 2.0880704 20 Sr 1.9845973 -0.0000000 -0.1047229 -0.0000000 3.4142410 -0.0000000 -0.0267848 0.0000000 2.5117999 21 Sr 2.3500756 0.1496489 -0.1662847 0.2009322 2.0466373 -0.1148905 -0.2523436 -0.1824492 2.1855679 22 Sr 2.0852571 -0.0388728 0.3370296 -0.1370479 2.1568500 -0.2139245 0.3640841 -0.2953035 2.0756234 23 Sr 2.0852571 -0.0388728 -0.3370296 -0.1370479 2.1568500 0.2139245 -0.3640841 0.2953035 2.0756234 24 Sr 2.3500756 -0.1496489 0.1662847 -0.2009322 2.0466373 -0.1148905 0.2523436 -0.1824492 2.1855679 25 Sr 2.4057605 0.1336788 -0.0246219 0.0871198 2.0451289 -0.1981776 -0.0380002 0.0063594 2.0880704 26 Sr 2.3500756 0.1496489 0.1662847 0.2009322 2.0466373 0.1148905 0.2523436 0.1824492 2.1855679 27 Sr 2.3500756 0.1496489 -0.1662847 0.2009322 2.0466373 -0.1148905 -0.2523436 -0.1824492 2.1855679 28 Sr 2.4057605 -0.1336788 -0.0246219 -0.0871198 2.0451289 0.1981776 -0.0380002 -0.0063594 2.0880704 29 Ge 2.8668543 -0.0000000 0.0403575 -0.0000000 2.5551149 -0.0000000 -0.1048347 0.0000000 2.7765068 30 Ge 2.8668543 -0.0000000 -0.0403575 -0.0000000 2.5551149 -0.0000000 0.1048347 0.0000000 2.7765068 31 Ge 2.8668543 -0.0000000 0.0403575 -0.0000000 2.5551149 -0.0000000 -0.1048347 0.0000000 2.7765068 32 Ge 2.8668543 -0.0000000 -0.0403575 -0.0000000 2.5551149 -0.0000000 0.1048347 0.0000000 2.7765068 33 N -2.7288612 0.1778650 -0.2890252 0.0464691 -3.0107782 0.5199771 -0.2488343 0.6211774 -3.2647647 34 N -3.2948941 -0.6613417 -0.3473637 -0.4656649 -2.9752028 -0.1861174 -0.3239265 -0.2220909 -2.8881278 35 N -2.7288612 0.1778650 0.2890252 0.0464691 -3.0107782 -0.5199771 0.2488343 -0.6211774 -3.2647647 36 N -3.2948941 0.6613417 0.3473637 0.4656649 -2.9752028 -0.1861174 0.3239265 -0.2220909 -2.8881278 37 N -3.2430637 -0.0239525 -0.0098479 0.0393524 -3.2473132 -0.1026993 0.0155484 -0.1276451 -2.8405225 38 N -3.2430637 0.0239525 -0.0098479 -0.0393524 -3.2473132 0.1026993 0.0155484 0.1276451 -2.8405225 39 N -2.7288612 -0.1778650 -0.2890252 -0.0464691 -3.0107782 -0.5199771 -0.2488343 -0.6211774 -3.2647647 40 N -3.2430637 0.0239525 0.0098479 -0.0393524 -3.2473132 -0.1026993 -0.0155484 -0.1276451 -2.8405225 41 N -3.2430637 0.0239525 -0.0098479 -0.0393524 -3.2473132 0.1026993 0.0155484 0.1276451 -2.8405225 42 N -3.2948941 0.6613417 0.3473637 0.4656649 -2.9752028 -0.1861174 0.3239265 -0.2220909 -2.8881278 43 N -3.2948941 0.6613417 -0.3473637 0.4656649 -2.9752028 0.1861174 -0.3239265 0.2220909 -2.8881278 44 N -3.2430637 -0.0239525 -0.0098479 0.0393524 -3.2473132 -0.1026993 0.0155484 -0.1276451 -2.8405225 45 N -2.7288612 -0.1778650 0.2890252 -0.0464691 -3.0107782 0.5199771 0.2488343 0.6211774 -3.2647647 46 N -2.7288612 0.1778650 0.2890252 0.0464691 -3.0107782 -0.5199771 0.2488343 -0.6211774 -3.2647647 47 N -3.2948941 0.6613417 -0.3473637 0.4656649 -2.9752028 0.1861174 -0.3239265 0.2220909 -2.8881278 48 N -3.2948941 -0.6613417 0.3473637 -0.4656649 -2.9752028 0.1861174 0.3239265 0.2220909 -2.8881278 49 N -3.2430637 0.0239525 0.0098479 -0.0393524 -3.2473132 -0.1026993 -0.0155484 -0.1276451 -2.8405225 50 N -2.7288612 -0.1778650 -0.2890252 -0.0464691 -3.0107782 -0.5199771 -0.2488343 -0.6211774 -3.2647647 51 N -3.2948941 -0.6613417 0.3473637 -0.4656649 -2.9752028 0.1861174 0.3239265 0.2220909 -2.8881278 52 N -2.7288612 0.1778650 -0.2890252 0.0464691 -3.0107782 0.5199771 -0.2488343 0.6211774 -3.2647647 53 N -3.2430637 -0.0239525 0.0098479 0.0393524 -3.2473132 0.1026993 -0.0155484 0.1276451 -2.8405225 54 N -3.2430637 -0.0239525 0.0098479 0.0393524 -3.2473132 0.1026993 -0.0155484 0.1276451 -2.8405225 55 N -2.7288612 -0.1778650 0.2890252 -0.0464691 -3.0107782 0.5199771 0.2488343 0.6211774 -3.2647647 56 N -3.2948941 -0.6613417 -0.3473637 -0.4656649 -2.9752028 -0.1861174 -0.3239265 -0.2220909 -2.8881278 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 18:01:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:01:59]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.499204990000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.526622190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.750123680000000 Atomic positions (fractional): 1 Sr 0.72565853970843 0.64514039903877 0.62615537939351 87.620 2 Sr 0.96214783135648 0.73681421224894 0.47881640369384 87.620 3 Sr 0.77434146029157 0.14514039903877 0.62615537939351 87.620 4 Sr 0.50000000000000 0.93700731316655 0.25000000000000 87.620 5 Sr 0.29476006708069 0.60773748024656 0.12264403146771 87.620 6 Sr 0.46214783135648 0.23681421224894 0.02118359630616 87.620 7 Sr 0.50000000000000 0.06299268683345 0.75000000000000 87.620 8 Sr 0.03785216864352 0.73681421224894 0.02118359630616 87.620 9 Sr 0.70523993291931 0.60773748024656 0.37735596853229 87.620 10 Sr 0.00000000000000 0.56299268683345 0.75000000000000 87.620 11 Sr 0.27434146029157 0.35485960096122 0.37384462060649 87.620 12 Sr 0.77434146029157 0.85485960096123 0.12615537939351 87.620 13 Sr 0.20523993291931 0.89226251975344 0.62264403146771 87.620 14 Sr 0.79476006708069 0.10773748024656 0.37735596853229 87.620 15 Sr 0.53785216864352 0.23681421224894 0.47881640369384 87.620 16 Sr 0.27434146029157 0.64514039903877 0.87384462060649 87.620 17 Sr 0.96214783135648 0.26318578775106 0.97881640369384 87.620 18 Sr 0.22565853970843 0.14514039903877 0.87384462060649 87.620 19 Sr 0.03785216864352 0.26318578775106 0.52118359630616 87.620 20 Sr 0.00000000000000 0.43700731316655 0.25000000000000 87.620 21 Sr 0.79476006708069 0.89226251975344 0.87735596853229 87.620 22 Sr 0.22565853970843 0.85485960096123 0.37384462060649 87.620 23 Sr 0.72565853970843 0.35485960096122 0.12615537939351 87.620 24 Sr 0.70523993291931 0.39226251975344 0.87735596853229 87.620 25 Sr 0.53785216864352 0.76318578775106 0.97881640369384 87.620 26 Sr 0.29476006708069 0.39226251975344 0.62264403146771 87.620 27 Sr 0.20523993291931 0.10773748024656 0.12264403146771 87.620 28 Sr 0.46214783135648 0.76318578775106 0.52118359630616 87.620 29 Ge 0.50000000000000 0.57260407850069 0.75000000000000 72.640 30 Ge 0.00000000000000 0.92739592149931 0.25000000000000 72.640 31 Ge 0.50000000000000 0.42739592149931 0.25000000000000 72.640 32 Ge 0.00000000000000 0.07260407850069 0.75000000000000 72.640 33 N 0.04551129366561 0.90356101646483 0.85659792833356 14.007 34 N 0.62685951600918 0.74379355074684 0.79149295817641 14.007 35 N 0.54551129366561 0.40356101646483 0.64340207166644 14.007 36 N 0.87314048399082 0.24379355074684 0.79149295817641 14.007 37 N 0.83372783133254 0.59440432790308 0.00255229074284 14.007 38 N 0.16627216866746 0.59440432790308 0.49744770925716 14.007 39 N 0.95448870633439 0.90356101646483 0.64340207166644 14.007 40 N 0.33372783133254 0.90559567209692 0.99744770925716 14.007 41 N 0.83372783133254 0.40559567209692 0.50255229074284 14.007 42 N 0.12685951600918 0.75620644925316 0.20850704182359 14.007 43 N 0.37314048399082 0.74379355074684 0.70850704182359 14.007 44 N 0.16627216866746 0.40559567209692 0.99744770925716 14.007 45 N 0.54551129366561 0.59643898353517 0.14340207166644 14.007 46 N 0.45448870633439 0.59643898353517 0.35659792833356 14.007 47 N 0.62685951600918 0.25620644925316 0.29149295817641 14.007 48 N 0.87314048399082 0.75620644925316 0.29149295817641 14.007 49 N 0.66627216866746 0.09440432790308 0.00255229074284 14.007 50 N 0.04551129366561 0.09643898353517 0.35659792833356 14.007 51 N 0.12685951600918 0.24379355074684 0.70850704182359 14.007 52 N 0.95448870633439 0.09643898353517 0.14340207166644 14.007 53 N 0.66627216866746 0.90559567209692 0.50255229074284 14.007 54 N 0.33372783133254 0.09440432790308 0.49744770925716 14.007 55 N 0.45448870633439 0.40356101646483 0.85659792833356 14.007 56 N 0.37314048399082 0.25620644925316 0.20850704182359 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.499204990000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.053244380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.750123680000000 Atomic positions (fractional): 1 Sr 0.72565853970843 0.32257019951939 0.62615537939351 87.620 > 1 2 Sr 0.72565853970843 0.82257019951939 0.62615537939351 87.620 > 1 3 Sr 0.96214783135648 0.36840710612447 0.47881640369384 87.620 > 3 4 Sr 0.96214783135648 0.86840710612447 0.47881640369384 87.620 > 3 5 Sr 0.77434146029157 0.07257019951939 0.62615537939351 87.620 > 5 6 Sr 0.77434146029157 0.57257019951939 0.62615537939351 87.620 > 5 7 Sr 0.50000000000000 0.46850365658327 0.25000000000000 87.620 > 7 8 Sr 0.50000000000000 0.96850365658327 0.25000000000000 87.620 > 7 9 Sr 0.29476006708069 0.30386874012328 0.12264403146771 87.620 > 9 10 Sr 0.29476006708069 0.80386874012328 0.12264403146771 87.620 > 9 11 Sr 0.46214783135648 0.11840710612447 0.02118359630616 87.620 > 11 12 Sr 0.46214783135648 0.61840710612447 0.02118359630616 87.620 > 11 13 Sr 0.50000000000000 0.03149634341673 0.75000000000000 87.620 > 13 14 Sr 0.50000000000000 0.53149634341673 0.75000000000000 87.620 > 13 15 Sr 0.03785216864352 0.36840710612447 0.02118359630616 87.620 > 15 16 Sr 0.03785216864352 0.86840710612447 0.02118359630616 87.620 > 15 17 Sr 0.70523993291931 0.30386874012328 0.37735596853229 87.620 > 17 18 Sr 0.70523993291931 0.80386874012328 0.37735596853229 87.620 > 17 19 Sr 0.00000000000000 0.28149634341673 0.75000000000000 87.620 > 19 20 Sr 0.00000000000000 0.78149634341673 0.75000000000000 87.620 > 19 21 Sr 0.27434146029157 0.17742980048061 0.37384462060649 87.620 > 21 22 Sr 0.27434146029157 0.67742980048061 0.37384462060649 87.620 > 21 23 Sr 0.77434146029157 0.42742980048061 0.12615537939351 87.620 > 23 24 Sr 0.77434146029157 0.92742980048061 0.12615537939351 87.620 > 23 25 Sr 0.20523993291931 0.44613125987672 0.62264403146771 87.620 > 25 26 Sr 0.20523993291931 0.94613125987672 0.62264403146771 87.620 > 25 27 Sr 0.79476006708069 0.05386874012328 0.37735596853229 87.620 > 27 28 Sr 0.79476006708069 0.55386874012328 0.37735596853229 87.620 > 27 29 Sr 0.53785216864352 0.11840710612447 0.47881640369384 87.620 > 29 30 Sr 0.53785216864352 0.61840710612447 0.47881640369384 87.620 > 29 31 Sr 0.27434146029157 0.32257019951939 0.87384462060649 87.620 > 31 32 Sr 0.27434146029157 0.82257019951939 0.87384462060649 87.620 > 31 33 Sr 0.96214783135648 0.13159289387553 0.97881640369384 87.620 > 33 34 Sr 0.96214783135648 0.63159289387553 0.97881640369384 87.620 > 33 35 Sr 0.22565853970843 0.07257019951939 0.87384462060649 87.620 > 35 36 Sr 0.22565853970843 0.57257019951939 0.87384462060649 87.620 > 35 37 Sr 0.03785216864352 0.13159289387553 0.52118359630616 87.620 > 37 38 Sr 0.03785216864352 0.63159289387553 0.52118359630616 87.620 > 37 39 Sr 0.00000000000000 0.21850365658327 0.25000000000000 87.620 > 39 40 Sr 0.00000000000000 0.71850365658327 0.25000000000000 87.620 > 39 41 Sr 0.79476006708069 0.44613125987672 0.87735596853229 87.620 > 41 42 Sr 0.79476006708069 0.94613125987672 0.87735596853229 87.620 > 41 43 Sr 0.22565853970843 0.42742980048061 0.37384462060649 87.620 > 43 44 Sr 0.22565853970843 0.92742980048061 0.37384462060649 87.620 > 43 45 Sr 0.72565853970843 0.17742980048061 0.12615537939351 87.620 > 45 46 Sr 0.72565853970843 0.67742980048061 0.12615537939351 87.620 > 45 47 Sr 0.70523993291931 0.19613125987672 0.87735596853229 87.620 > 47 48 Sr 0.70523993291931 0.69613125987672 0.87735596853229 87.620 > 47 49 Sr 0.53785216864352 0.38159289387553 0.97881640369384 87.620 > 49 50 Sr 0.53785216864352 0.88159289387553 0.97881640369384 87.620 > 49 51 Sr 0.29476006708069 0.19613125987672 0.62264403146771 87.620 > 51 52 Sr 0.29476006708069 0.69613125987672 0.62264403146771 87.620 > 51 53 Sr 0.20523993291931 0.05386874012328 0.12264403146771 87.620 > 53 54 Sr 0.20523993291931 0.55386874012328 0.12264403146771 87.620 > 53 55 Sr 0.46214783135648 0.38159289387553 0.52118359630616 87.620 > 55 56 Sr 0.46214783135648 0.88159289387553 0.52118359630616 87.620 > 55 57 Ge 0.50000000000000 0.28630203925034 0.75000000000000 72.640 > 57 58 Ge 0.50000000000000 0.78630203925035 0.75000000000000 72.640 > 57 59 Ge 0.00000000000000 0.46369796074966 0.25000000000000 72.640 > 59 60 Ge 0.00000000000000 0.96369796074965 0.25000000000000 72.640 > 59 61 Ge 0.50000000000000 0.21369796074965 0.25000000000000 72.640 > 61 62 Ge 0.50000000000000 0.71369796074965 0.25000000000000 72.640 > 61 63 Ge 0.00000000000000 0.03630203925035 0.75000000000000 72.640 > 63 64 Ge 0.00000000000000 0.53630203925035 0.75000000000000 72.640 > 63 65 N 0.04551129366561 0.45178050823242 0.85659792833356 14.007 > 65 66 N 0.04551129366561 0.95178050823242 0.85659792833356 14.007 > 65 67 N 0.62685951600918 0.37189677537342 0.79149295817641 14.007 > 67 68 N 0.62685951600918 0.87189677537342 0.79149295817641 14.007 > 67 69 N 0.54551129366561 0.20178050823242 0.64340207166644 14.007 > 69 70 N 0.54551129366561 0.70178050823242 0.64340207166644 14.007 > 69 71 N 0.87314048399082 0.12189677537342 0.79149295817641 14.007 > 71 72 N 0.87314048399082 0.62189677537342 0.79149295817641 14.007 > 71 73 N 0.83372783133254 0.29720216395154 0.00255229074284 14.007 > 73 74 N 0.83372783133254 0.79720216395154 0.00255229074284 14.007 > 73 75 N 0.16627216866746 0.29720216395154 0.49744770925716 14.007 > 75 76 N 0.16627216866746 0.79720216395154 0.49744770925716 14.007 > 75 77 N 0.95448870633439 0.45178050823242 0.64340207166644 14.007 > 77 78 N 0.95448870633439 0.95178050823242 0.64340207166644 14.007 > 77 79 N 0.33372783133254 0.45279783604846 0.99744770925716 14.007 > 79 80 N 0.33372783133254 0.95279783604846 0.99744770925716 14.007 > 79 81 N 0.83372783133254 0.20279783604846 0.50255229074284 14.007 > 81 82 N 0.83372783133254 0.70279783604846 0.50255229074284 14.007 > 81 83 N 0.12685951600918 0.37810322462658 0.20850704182359 14.007 > 83 84 N 0.12685951600918 0.87810322462658 0.20850704182359 14.007 > 83 85 N 0.37314048399082 0.37189677537342 0.70850704182359 14.007 > 85 86 N 0.37314048399082 0.87189677537342 0.70850704182359 14.007 > 85 87 N 0.16627216866746 0.20279783604846 0.99744770925716 14.007 > 87 88 N 0.16627216866746 0.70279783604846 0.99744770925716 14.007 > 87 89 N 0.54551129366561 0.29821949176758 0.14340207166644 14.007 > 89 90 N 0.54551129366561 0.79821949176758 0.14340207166644 14.007 > 89 91 N 0.45448870633439 0.29821949176758 0.35659792833356 14.007 > 91 92 N 0.45448870633439 0.79821949176758 0.35659792833356 14.007 > 91 93 N 0.62685951600918 0.12810322462658 0.29149295817641 14.007 > 93 94 N 0.62685951600918 0.62810322462658 0.29149295817641 14.007 > 93 95 N 0.87314048399082 0.37810322462658 0.29149295817641 14.007 > 95 96 N 0.87314048399082 0.87810322462658 0.29149295817641 14.007 > 95 97 N 0.66627216866746 0.04720216395154 0.00255229074284 14.007 > 97 98 N 0.66627216866746 0.54720216395154 0.00255229074284 14.007 > 97 99 N 0.04551129366561 0.04821949176758 0.35659792833356 14.007 > 99 100 N 0.04551129366561 0.54821949176758 0.35659792833356 14.007 > 99 101 N 0.12685951600918 0.12189677537342 0.70850704182359 14.007 > 101 102 N 0.12685951600918 0.62189677537342 0.70850704182359 14.007 > 101 103 N 0.95448870633439 0.04821949176758 0.14340207166644 14.007 > 103 104 N 0.95448870633439 0.54821949176758 0.14340207166644 14.007 > 103 105 N 0.66627216866746 0.45279783604846 0.50255229074284 14.007 > 105 106 N 0.66627216866746 0.95279783604846 0.50255229074284 14.007 > 105 107 N 0.33372783133254 0.04720216395154 0.49744770925716 14.007 > 107 108 N 0.33372783133254 0.54720216395154 0.49744770925716 14.007 > 107 109 N 0.45448870633439 0.20178050823242 0.85659792833356 14.007 > 109 110 N 0.45448870633439 0.70178050823242 0.85659792833356 14.007 > 109 111 N 0.37314048399082 0.12810322462658 0.20850704182359 14.007 > 111 112 N 0.37314048399082 0.62810322462658 0.20850704182359 14.007 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.1164790 0.0000000 0.0000000 0.0000000 7.0244033 0.0000000 0.0000000 0.0000000 6.9423941 -------------------------- Born effective charges -------------------------- 1 Sr 2.0852571 0.0388728 -0.3370296 0.1370479 2.1568500 -0.2139245 -0.3640841 -0.2953035 2.0756234 2 Sr 2.4057605 0.1336788 0.0246219 0.0871198 2.0451289 0.1981776 0.0380002 -0.0063594 2.0880704 3 Sr 2.0852571 -0.0388728 0.3370296 -0.1370479 2.1568500 -0.2139245 0.3640841 -0.2953035 2.0756234 4 Sr 1.9845973 -0.0000000 0.1047229 -0.0000000 3.4142410 -0.0000000 0.0267848 0.0000000 2.5117999 5 Sr 2.3500756 -0.1496489 0.1662847 -0.2009322 2.0466373 -0.1148905 0.2523436 -0.1824492 2.1855679 6 Sr 2.4057605 0.1336788 -0.0246219 0.0871198 2.0451289 -0.1981776 -0.0380002 0.0063594 2.0880704 7 Sr 1.9845973 -0.0000000 0.1047229 -0.0000000 3.4142410 -0.0000000 0.0267848 0.0000000 2.5117999 8 Sr 2.4057605 -0.1336788 0.0246219 -0.0871198 2.0451289 -0.1981776 0.0380002 0.0063594 2.0880704 9 Sr 2.3500756 0.1496489 0.1662847 0.2009322 2.0466373 0.1148905 0.2523436 0.1824492 2.1855679 10 Sr 1.9845973 -0.0000000 -0.1047229 -0.0000000 3.4142410 -0.0000000 -0.0267848 0.0000000 2.5117999 11 Sr 2.0852571 0.0388728 -0.3370296 0.1370479 2.1568500 -0.2139245 -0.3640841 -0.2953035 2.0756234 12 Sr 2.0852571 0.0388728 0.3370296 0.1370479 2.1568500 0.2139245 0.3640841 0.2953035 2.0756234 13 Sr 2.3500756 -0.1496489 -0.1662847 -0.2009322 2.0466373 0.1148905 -0.2523436 0.1824492 2.1855679 14 Sr 2.3500756 -0.1496489 -0.1662847 -0.2009322 2.0466373 0.1148905 -0.2523436 0.1824492 2.1855679 15 Sr 2.4057605 -0.1336788 -0.0246219 -0.0871198 2.0451289 0.1981776 -0.0380002 -0.0063594 2.0880704 16 Sr 2.0852571 -0.0388728 -0.3370296 -0.1370479 2.1568500 0.2139245 -0.3640841 0.2953035 2.0756234 17 Sr 2.4057605 -0.1336788 0.0246219 -0.0871198 2.0451289 -0.1981776 0.0380002 0.0063594 2.0880704 18 Sr 2.0852571 0.0388728 0.3370296 0.1370479 2.1568500 0.2139245 0.3640841 0.2953035 2.0756234 19 Sr 2.4057605 0.1336788 0.0246219 0.0871198 2.0451289 0.1981776 0.0380002 -0.0063594 2.0880704 20 Sr 1.9845973 -0.0000000 -0.1047229 -0.0000000 3.4142410 -0.0000000 -0.0267848 0.0000000 2.5117999 21 Sr 2.3500756 0.1496489 -0.1662847 0.2009322 2.0466373 -0.1148905 -0.2523436 -0.1824492 2.1855679 22 Sr 2.0852571 -0.0388728 0.3370296 -0.1370479 2.1568500 -0.2139245 0.3640841 -0.2953035 2.0756234 23 Sr 2.0852571 -0.0388728 -0.3370296 -0.1370479 2.1568500 0.2139245 -0.3640841 0.2953035 2.0756234 24 Sr 2.3500756 -0.1496489 0.1662847 -0.2009322 2.0466373 -0.1148905 0.2523436 -0.1824492 2.1855679 25 Sr 2.4057605 0.1336788 -0.0246219 0.0871198 2.0451289 -0.1981776 -0.0380002 0.0063594 2.0880704 26 Sr 2.3500756 0.1496489 0.1662847 0.2009322 2.0466373 0.1148905 0.2523436 0.1824492 2.1855679 27 Sr 2.3500756 0.1496489 -0.1662847 0.2009322 2.0466373 -0.1148905 -0.2523436 -0.1824492 2.1855679 28 Sr 2.4057605 -0.1336788 -0.0246219 -0.0871198 2.0451289 0.1981776 -0.0380002 -0.0063594 2.0880704 29 Ge 2.8668543 -0.0000000 0.0403575 -0.0000000 2.5551149 -0.0000000 -0.1048347 0.0000000 2.7765068 30 Ge 2.8668543 -0.0000000 -0.0403575 -0.0000000 2.5551149 -0.0000000 0.1048347 0.0000000 2.7765068 31 Ge 2.8668543 -0.0000000 0.0403575 -0.0000000 2.5551149 -0.0000000 -0.1048347 0.0000000 2.7765068 32 Ge 2.8668543 -0.0000000 -0.0403575 -0.0000000 2.5551149 -0.0000000 0.1048347 0.0000000 2.7765068 33 N -2.7288612 0.1778650 -0.2890252 0.0464691 -3.0107782 0.5199771 -0.2488343 0.6211774 -3.2647647 34 N -3.2948941 -0.6613417 -0.3473637 -0.4656649 -2.9752028 -0.1861174 -0.3239265 -0.2220909 -2.8881278 35 N -2.7288612 0.1778650 0.2890252 0.0464691 -3.0107782 -0.5199771 0.2488343 -0.6211774 -3.2647647 36 N -3.2948941 0.6613417 0.3473637 0.4656649 -2.9752028 -0.1861174 0.3239265 -0.2220909 -2.8881278 37 N -3.2430637 -0.0239525 -0.0098479 0.0393524 -3.2473132 -0.1026993 0.0155484 -0.1276451 -2.8405225 38 N -3.2430637 0.0239525 -0.0098479 -0.0393524 -3.2473132 0.1026993 0.0155484 0.1276451 -2.8405225 39 N -2.7288612 -0.1778650 -0.2890252 -0.0464691 -3.0107782 -0.5199771 -0.2488343 -0.6211774 -3.2647647 40 N -3.2430637 0.0239525 0.0098479 -0.0393524 -3.2473132 -0.1026993 -0.0155484 -0.1276451 -2.8405225 41 N -3.2430637 0.0239525 -0.0098479 -0.0393524 -3.2473132 0.1026993 0.0155484 0.1276451 -2.8405225 42 N -3.2948941 0.6613417 0.3473637 0.4656649 -2.9752028 -0.1861174 0.3239265 -0.2220909 -2.8881278 43 N -3.2948941 0.6613417 -0.3473637 0.4656649 -2.9752028 0.1861174 -0.3239265 0.2220909 -2.8881278 44 N -3.2430637 -0.0239525 -0.0098479 0.0393524 -3.2473132 -0.1026993 0.0155484 -0.1276451 -2.8405225 45 N -2.7288612 -0.1778650 0.2890252 -0.0464691 -3.0107782 0.5199771 0.2488343 0.6211774 -3.2647647 46 N -2.7288612 0.1778650 0.2890252 0.0464691 -3.0107782 -0.5199771 0.2488343 -0.6211774 -3.2647647 47 N -3.2948941 0.6613417 -0.3473637 0.4656649 -2.9752028 0.1861174 -0.3239265 0.2220909 -2.8881278 48 N -3.2948941 -0.6613417 0.3473637 -0.4656649 -2.9752028 0.1861174 0.3239265 0.2220909 -2.8881278 49 N -3.2430637 0.0239525 0.0098479 -0.0393524 -3.2473132 -0.1026993 -0.0155484 -0.1276451 -2.8405225 50 N -2.7288612 -0.1778650 -0.2890252 -0.0464691 -3.0107782 -0.5199771 -0.2488343 -0.6211774 -3.2647647 51 N -3.2948941 -0.6613417 0.3473637 -0.4656649 -2.9752028 0.1861174 0.3239265 0.2220909 -2.8881278 52 N -2.7288612 0.1778650 -0.2890252 0.0464691 -3.0107782 0.5199771 -0.2488343 0.6211774 -3.2647647 53 N -3.2430637 -0.0239525 0.0098479 0.0393524 -3.2473132 0.1026993 -0.0155484 0.1276451 -2.8405225 54 N -3.2430637 -0.0239525 0.0098479 0.0393524 -3.2473132 0.1026993 -0.0155484 0.1276451 -2.8405225 55 N -2.7288612 -0.1778650 0.2890252 -0.0464691 -3.0107782 0.5199771 0.2488343 0.6211774 -3.2647647 56 N -3.2948941 -0.6613417 -0.3473637 -0.4656649 -2.9752028 -0.1861174 -0.3239265 -0.2220909 -2.8881278 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 8 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: 0.41, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 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 1.359 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.678 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.150 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 8.747 ( 0.000 0.000 0.000) 0.000 8.818 ( 0.000 0.000 0.000) 0.000 9.093 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.441 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 9.631 ( 0.000 0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 0.000 0.000) 0.000 9.830 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.283 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.480 ( 0.000 0.000 0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 0.000 0.000) 0.000 10.722 ( 0.000 0.000 0.000) 0.000 10.750 ( 0.000 0.000 0.000) 0.000 11.017 ( 0.000 0.000 0.000) 0.000 11.146 ( 0.000 0.000 0.000) 0.000 11.252 ( 0.000 0.000 0.000) 0.000 11.348 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 0.000 0.000) 0.000 11.861 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 12.373 ( 0.000 0.000 0.000) 0.000 12.394 ( 0.000 0.000 0.000) 0.000 12.402 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 0.000) 0.000 12.555 ( 0.000 0.000 0.000) 0.000 12.909 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.255 ( 0.000 0.000 0.000) 0.000 16.399 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.771 ( 0.000 0.000 0.000) 0.000 16.826 ( 0.000 0.000 0.000) 0.000 16.860 ( 0.000 0.000 0.000) 0.000 16.903 ( 0.000 0.000 0.000) 0.000 17.023 ( 0.000 0.000 0.000) 0.000 17.040 ( 0.000 0.000 0.000) 0.000 17.168 ( 0.000 0.000 0.000) 0.000 17.274 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 18.070 ( 0.000 0.000 0.000) 0.000 18.826 ( 0.000 0.000 0.000) 0.000 18.956 ( 0.000 0.000 0.000) 0.000 19.029 ( 0.000 0.000 0.000) 0.000 19.116 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 26.588 0.000 0.000) 26.588 0.670 ( 29.671 0.000 0.000) 29.671 0.965 ( 39.505 0.000 0.000) 39.505 1.344 ( -2.222 0.000 0.000) 2.222 1.523 ( -1.380 0.000 0.000) 1.380 1.571 ( -4.791 0.000 0.000) 4.791 1.762 ( 2.576 0.000 0.000) 2.576 1.785 ( -14.849 0.000 0.000) 14.849 1.785 ( -6.531 0.000 0.000) 6.531 1.852 ( -8.710 0.000 0.000) 8.710 1.874 ( 6.642 0.000 0.000) 6.642 1.899 ( -11.633 0.000 0.000) 11.633 1.933 ( 9.667 0.000 0.000) 9.667 2.048 ( -11.646 0.000 0.000) 11.646 2.180 ( -13.259 0.000 0.000) 13.259 2.183 ( -11.693 0.000 0.000) 11.693 2.186 ( 0.701 0.000 0.000) 0.701 2.359 ( -8.951 0.000 0.000) 8.951 2.525 ( 7.479 0.000 0.000) 7.479 2.595 ( -0.842 0.000 0.000) 0.842 2.607 ( 5.113 0.000 0.000) 5.113 2.626 ( 1.575 0.000 0.000) 1.575 2.655 ( 4.699 0.000 0.000) 4.699 2.669 ( -0.919 0.000 0.000) 0.919 2.698 ( 9.655 0.000 0.000) 9.655 2.823 ( 0.716 0.000 0.000) 0.716 2.910 ( 7.783 0.000 0.000) 7.783 2.923 ( -6.158 0.000 0.000) 6.158 2.943 ( -18.873 0.000 0.000) 18.873 2.960 ( 1.047 0.000 0.000) 1.047 3.008 ( 5.368 0.000 0.000) 5.368 3.040 ( -5.645 0.000 0.000) 5.645 3.090 ( 6.968 0.000 0.000) 6.968 3.174 ( -4.319 0.000 0.000) 4.319 3.193 ( 3.729 0.000 0.000) 3.729 3.221 ( -4.074 0.000 0.000) 4.074 3.272 ( -0.309 0.000 0.000) 0.309 3.334 ( -0.235 0.000 0.000) 0.235 3.407 ( -10.057 0.000 0.000) 10.057 3.409 ( 10.293 0.000 0.000) 10.293 3.456 ( 1.711 0.000 0.000) 1.711 3.494 ( -3.966 0.000 0.000) 3.966 3.616 ( 9.020 0.000 0.000) 9.020 3.662 ( -7.450 0.000 0.000) 7.450 3.706 ( 7.199 0.000 0.000) 7.199 3.763 ( 2.034 0.000 0.000) 2.034 3.807 ( 5.108 0.000 0.000) 5.108 3.867 ( 12.376 0.000 0.000) 12.376 3.914 ( -4.902 0.000 0.000) 4.902 4.007 ( 3.907 0.000 0.000) 3.907 4.019 ( 3.709 0.000 0.000) 3.709 4.085 ( 0.004 0.000 0.000) 0.004 4.174 ( -1.756 0.000 0.000) 1.756 4.207 ( -9.792 0.000 0.000) 9.792 4.224 ( 10.300 0.000 0.000) 10.300 4.236 ( 1.896 0.000 0.000) 1.896 4.260 ( 3.447 0.000 0.000) 3.447 4.271 ( -1.436 0.000 0.000) 1.436 4.373 ( 5.639 0.000 0.000) 5.639 4.412 ( -1.573 0.000 0.000) 1.573 4.417 ( 9.048 0.000 0.000) 9.048 4.489 ( 4.630 0.000 0.000) 4.630 4.500 ( 1.510 0.000 0.000) 1.510 4.556 ( -13.612 0.000 0.000) 13.612 4.562 ( 6.390 0.000 0.000) 6.390 4.604 ( 5.399 0.000 0.000) 5.399 4.628 ( -9.659 0.000 0.000) 9.659 4.730 ( -2.169 0.000 0.000) 2.169 4.904 ( -4.923 0.000 0.000) 4.923 4.928 ( 0.593 0.000 0.000) 0.593 4.958 ( -8.452 0.000 0.000) 8.452 4.991 ( -5.879 0.000 0.000) 5.879 5.025 ( -0.547 0.000 0.000) 0.547 5.080 ( -5.933 0.000 0.000) 5.933 5.118 ( -2.203 0.000 0.000) 2.203 5.185 ( -8.256 0.000 0.000) 8.256 5.187 ( -4.953 0.000 0.000) 4.953 5.262 ( -2.032 0.000 0.000) 2.032 5.292 ( 5.504 0.000 0.000) 5.504 5.360 ( 0.619 0.000 0.000) 0.619 5.367 ( -8.851 0.000 0.000) 8.851 5.389 ( 0.179 0.000 0.000) 0.179 5.535 ( 4.821 0.000 0.000) 4.821 5.547 ( 6.882 0.000 0.000) 6.882 5.663 ( 0.647 0.000 0.000) 0.647 5.683 ( 1.992 0.000 0.000) 1.992 5.695 ( -1.456 0.000 0.000) 1.456 5.760 ( 1.763 0.000 0.000) 1.763 5.813 ( 6.176 0.000 0.000) 6.176 5.903 ( 2.215 0.000 0.000) 2.215 5.985 ( 3.602 0.000 0.000) 3.602 6.055 ( 1.411 0.000 0.000) 1.411 6.301 ( 0.403 0.000 0.000) 0.403 6.374 ( -0.189 0.000 0.000) 0.189 6.390 ( -0.933 0.000 0.000) 0.933 6.584 ( -8.901 0.000 0.000) 8.901 6.945 ( 1.771 0.000 0.000) 1.771 7.047 ( 3.031 0.000 0.000) 3.031 7.115 ( -4.532 0.000 0.000) 4.532 7.166 ( 0.903 0.000 0.000) 0.903 7.221 ( 0.980 0.000 0.000) 0.980 7.236 ( 1.021 0.000 0.000) 1.021 7.338 ( 0.147 0.000 0.000) 0.147 7.345 ( -1.733 0.000 0.000) 1.733 7.972 ( 0.231 0.000 0.000) 0.231 7.975 ( 1.720 0.000 0.000) 1.720 8.002 ( -0.730 0.000 0.000) 0.730 8.117 ( -3.903 0.000 0.000) 3.903 8.238 ( 14.152 0.000 0.000) 14.152 8.585 ( 1.928 0.000 0.000) 1.928 8.595 ( -0.359 0.000 0.000) 0.359 8.656 ( -3.874 0.000 0.000) 3.874 8.730 ( 4.324 0.000 0.000) 4.324 8.748 ( 1.897 0.000 0.000) 1.897 8.798 ( -1.144 0.000 0.000) 1.144 9.036 ( -5.751 0.000 0.000) 5.751 9.319 ( 11.765 0.000 0.000) 11.765 9.388 ( 2.089 0.000 0.000) 2.089 9.389 ( -2.111 0.000 0.000) 2.111 9.504 ( -2.187 0.000 0.000) 2.187 9.576 ( -4.712 0.000 0.000) 4.712 9.648 ( -3.010 0.000 0.000) 3.010 9.686 ( 2.691 0.000 0.000) 2.691 9.977 ( 9.124 0.000 0.000) 9.124 10.038 ( -15.847 0.000 0.000) 15.847 10.095 ( 3.609 0.000 0.000) 3.609 10.174 ( 5.566 0.000 0.000) 5.566 10.382 ( -1.726 0.000 0.000) 1.726 10.532 ( -13.431 0.000 0.000) 13.431 10.659 ( 5.369 0.000 0.000) 5.369 10.784 ( -17.998 0.000 0.000) 17.998 10.820 ( 13.115 0.000 0.000) 13.115 10.846 ( 6.055 0.000 0.000) 6.055 10.899 ( 10.269 0.000 0.000) 10.269 11.136 ( 0.027 0.000 0.000) 0.027 11.245 ( -12.429 0.000 0.000) 12.429 11.265 ( -3.002 0.000 0.000) 3.002 11.466 ( 10.338 0.000 0.000) 10.338 11.468 ( -8.360 0.000 0.000) 8.360 11.749 ( 0.308 0.000 0.000) 0.308 11.767 ( 4.997 0.000 0.000) 4.997 11.830 ( -2.522 0.000 0.000) 2.522 11.841 ( -4.385 0.000 0.000) 4.385 11.854 ( 1.183 0.000 0.000) 1.183 12.345 ( -2.549 0.000 0.000) 2.549 12.353 ( -1.579 0.000 0.000) 1.579 12.492 ( -0.077 0.000 0.000) 0.077 12.532 ( -1.755 0.000 0.000) 1.755 13.050 ( 9.232 0.000 0.000) 9.232 13.235 ( 1.346 0.000 0.000) 1.346 13.252 ( -0.560 0.000 0.000) 0.560 13.258 ( 0.378 0.000 0.000) 0.378 16.451 ( 4.472 0.000 0.000) 4.472 16.695 ( -5.051 0.000 0.000) 5.051 16.837 ( 0.503 0.000 0.000) 0.503 16.857 ( -0.255 0.000 0.000) 0.255 16.883 ( 3.397 0.000 0.000) 3.397 16.913 ( 1.001 0.000 0.000) 1.001 17.004 ( -2.635 0.000 0.000) 2.635 17.074 ( -5.513 0.000 0.000) 5.513 17.342 ( 5.566 0.000 0.000) 5.566 17.465 ( 9.912 0.000 0.000) 9.912 17.638 ( -5.692 0.000 0.000) 5.692 17.958 ( -9.432 0.000 0.000) 9.432 18.867 ( 3.300 0.000 0.000) 3.300 18.985 ( 2.492 0.000 0.000) 2.492 19.008 ( -1.968 0.000 0.000) 1.968 19.098 ( -1.598 0.000 0.000) 1.598 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -20.098 0.000 0.000) 20.098 1.122 ( 20.098 0.000 0.000) 20.098 1.241 ( -19.725 0.000 0.000) 19.725 1.241 ( 19.725 0.000 0.000) 19.725 1.489 ( -1.803 0.000 0.000) 1.803 1.489 ( 1.803 0.000 0.000) 1.803 1.624 ( -3.492 0.000 0.000) 3.492 1.624 ( 3.492 0.000 0.000) 3.492 1.752 ( -0.949 0.000 0.000) 0.949 1.752 ( 0.949 0.000 0.000) 0.949 1.973 ( -3.984 0.000 0.000) 3.984 1.973 ( 3.984 0.000 0.000) 3.984 2.017 ( -6.982 0.000 0.000) 6.982 2.017 ( 6.982 0.000 0.000) 6.982 2.051 ( -17.784 0.000 0.000) 17.784 2.051 ( 17.784 0.000 0.000) 17.784 2.130 ( -6.850 0.000 0.000) 6.850 2.130 ( 6.850 0.000 0.000) 6.850 2.553 ( -4.221 0.000 0.000) 4.221 2.553 ( 4.221 0.000 0.000) 4.221 2.617 ( -2.008 0.000 0.000) 2.008 2.617 ( 2.008 0.000 0.000) 2.008 2.728 ( -2.687 0.000 0.000) 2.687 2.728 ( 2.687 0.000 0.000) 2.687 2.779 ( -5.394 0.000 0.000) 5.394 2.779 ( 5.394 0.000 0.000) 5.394 2.904 ( -7.267 0.000 0.000) 7.267 2.904 ( 7.267 0.000 0.000) 7.267 2.918 ( -9.280 0.000 0.000) 9.280 2.918 ( 9.280 0.000 0.000) 9.280 2.997 ( -3.212 0.000 0.000) 3.212 2.997 ( 3.212 0.000 0.000) 3.212 3.088 ( -2.054 0.000 0.000) 2.054 3.088 ( 2.054 0.000 0.000) 2.054 3.264 ( -4.773 0.000 0.000) 4.773 3.264 ( 4.773 0.000 0.000) 4.773 3.295 ( -0.669 0.000 0.000) 0.669 3.295 ( 0.669 0.000 0.000) 0.669 3.420 ( -12.859 0.000 0.000) 12.859 3.420 ( 12.859 0.000 0.000) 12.859 3.423 ( -0.492 0.000 0.000) 0.492 3.423 ( 0.492 0.000 0.000) 0.492 3.669 ( -6.993 0.000 0.000) 6.993 3.669 ( 6.993 0.000 0.000) 6.993 3.771 ( -1.059 0.000 0.000) 1.059 3.771 ( 1.059 0.000 0.000) 1.059 3.937 ( -5.634 0.000 0.000) 5.634 3.937 ( 5.634 0.000 0.000) 5.634 4.041 ( -15.267 0.000 0.000) 15.267 4.041 ( 15.267 0.000 0.000) 15.267 4.070 ( -1.278 0.000 0.000) 1.278 4.070 ( 1.278 0.000 0.000) 1.278 4.122 ( -2.684 0.000 0.000) 2.684 4.122 ( 2.684 0.000 0.000) 2.684 4.219 ( -11.616 0.000 0.000) 11.616 4.219 ( 11.616 0.000 0.000) 11.616 4.343 ( -1.911 0.000 0.000) 1.911 4.343 ( 1.911 0.000 0.000) 1.911 4.391 ( -8.978 0.000 0.000) 8.978 4.391 ( 8.978 0.000 0.000) 8.978 4.539 ( -0.635 0.000 0.000) 0.635 4.539 ( 0.635 0.000 0.000) 0.635 4.560 ( -5.508 0.000 0.000) 5.508 4.560 ( 5.508 0.000 0.000) 5.508 4.585 ( -2.669 0.000 0.000) 2.669 4.585 ( 2.669 0.000 0.000) 2.669 4.704 ( -6.060 0.000 0.000) 6.060 4.704 ( 6.060 0.000 0.000) 6.060 4.761 ( -9.020 0.000 0.000) 9.020 4.761 ( 9.020 0.000 0.000) 9.020 4.911 ( -8.041 0.000 0.000) 8.041 4.911 ( 8.041 0.000 0.000) 8.041 5.003 ( -9.930 0.000 0.000) 9.930 5.003 ( 9.930 0.000 0.000) 9.930 5.054 ( -1.797 0.000 0.000) 1.797 5.054 ( 1.797 0.000 0.000) 1.797 5.131 ( -1.048 0.000 0.000) 1.048 5.131 ( 1.048 0.000 0.000) 1.048 5.342 ( -1.751 0.000 0.000) 1.751 5.342 ( 1.751 0.000 0.000) 1.751 5.401 ( -2.160 0.000 0.000) 2.160 5.401 ( 2.160 0.000 0.000) 2.160 5.648 ( -3.077 0.000 0.000) 3.077 5.648 ( 3.077 0.000 0.000) 3.077 5.672 ( -2.801 0.000 0.000) 2.801 5.672 ( 2.801 0.000 0.000) 2.801 5.720 ( -3.286 0.000 0.000) 3.286 5.720 ( 3.286 0.000 0.000) 3.286 5.904 ( -1.799 0.000 0.000) 1.799 5.904 ( 1.799 0.000 0.000) 1.799 6.057 ( -1.944 0.000 0.000) 1.944 6.057 ( 1.944 0.000 0.000) 1.944 6.376 ( -0.333 0.000 0.000) 0.333 6.376 ( 0.333 0.000 0.000) 0.333 6.380 ( -7.541 0.000 0.000) 7.541 6.380 ( 7.541 0.000 0.000) 7.541 7.012 ( -4.326 0.000 0.000) 4.326 7.012 ( 4.326 0.000 0.000) 4.326 7.144 ( -3.722 0.000 0.000) 3.722 7.144 ( 3.722 0.000 0.000) 3.722 7.241 ( -0.513 0.000 0.000) 0.513 7.241 ( 0.513 0.000 0.000) 0.513 7.324 ( -0.406 0.000 0.000) 0.406 7.324 ( 0.406 0.000 0.000) 0.406 7.985 ( -0.761 0.000 0.000) 0.761 7.985 ( 0.761 0.000 0.000) 0.761 8.032 ( -3.486 0.000 0.000) 3.486 8.032 ( 3.486 0.000 0.000) 3.486 8.515 ( -9.691 0.000 0.000) 9.691 8.515 ( 9.691 0.000 0.000) 9.691 8.599 ( -0.426 0.000 0.000) 0.426 8.599 ( 0.426 0.000 0.000) 0.426 8.787 ( -0.606 0.000 0.000) 0.606 8.787 ( 0.606 0.000 0.000) 0.606 8.865 ( -8.259 0.000 0.000) 8.259 8.865 ( 8.259 0.000 0.000) 8.259 9.394 ( -1.944 0.000 0.000) 1.944 9.394 ( 1.944 0.000 0.000) 1.944 9.446 ( -2.907 0.000 0.000) 2.907 9.446 ( 2.907 0.000 0.000) 2.907 9.662 ( -6.403 0.000 0.000) 6.403 9.662 ( 6.403 0.000 0.000) 6.403 9.727 ( -10.488 0.000 0.000) 10.488 9.727 ( 10.488 0.000 0.000) 10.488 10.181 ( -3.285 0.000 0.000) 3.285 10.181 ( 3.285 0.000 0.000) 3.285 10.222 ( -13.873 0.000 0.000) 13.873 10.222 ( 13.873 0.000 0.000) 13.873 10.447 ( -9.408 0.000 0.000) 9.408 10.447 ( 9.408 0.000 0.000) 9.408 10.915 ( -15.609 0.000 0.000) 15.609 10.915 ( 15.609 0.000 0.000) 15.609 10.961 ( -3.538 0.000 0.000) 3.538 10.961 ( 3.538 0.000 0.000) 3.538 11.102 ( -11.315 0.000 0.000) 11.315 11.102 ( 11.315 0.000 0.000) 11.315 11.266 ( -9.747 0.000 0.000) 9.747 11.266 ( 9.747 0.000 0.000) 9.747 11.692 ( -9.136 0.000 0.000) 9.136 11.692 ( 9.136 0.000 0.000) 9.136 11.776 ( -2.092 0.000 0.000) 2.092 11.776 ( 2.092 0.000 0.000) 2.092 11.847 ( -2.087 0.000 0.000) 2.087 11.847 ( 2.087 0.000 0.000) 2.087 12.323 ( -0.550 0.000 0.000) 0.550 12.323 ( 0.550 0.000 0.000) 0.550 12.499 ( -0.949 0.000 0.000) 0.949 12.499 ( 0.949 0.000 0.000) 0.949 13.205 ( -4.402 0.000 0.000) 4.402 13.205 ( 4.402 0.000 0.000) 4.402 13.258 ( -0.545 0.000 0.000) 0.545 13.258 ( 0.545 0.000 0.000) 0.545 16.571 ( -6.029 0.000 0.000) 6.029 16.571 ( 6.029 0.000 0.000) 6.029 16.849 ( -0.483 0.000 0.000) 0.483 16.849 ( 0.483 0.000 0.000) 0.483 16.948 ( -2.219 0.000 0.000) 2.219 16.948 ( 2.219 0.000 0.000) 2.219 16.966 ( -4.341 0.000 0.000) 4.341 16.966 ( 4.341 0.000 0.000) 4.341 17.488 ( -7.365 0.000 0.000) 7.365 17.488 ( 7.365 0.000 0.000) 7.365 17.711 ( -12.159 0.000 0.000) 12.159 17.711 ( 12.159 0.000 0.000) 12.159 18.946 ( -3.546 0.000 0.000) 3.546 18.946 ( 3.546 0.000 0.000) 3.546 19.048 ( -2.881 0.000 0.000) 2.881 19.048 ( 2.881 0.000 0.000) 2.881 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 27.117 0.000) 27.117 0.531 ( 0.000 26.921 0.000) 26.921 0.995 ( 0.000 50.980 0.000) 50.980 1.475 ( 0.000 11.291 0.000) 11.291 1.628 ( 0.000 2.020 0.000) 2.020 1.719 ( 0.000 16.713 0.000) 16.713 1.858 ( 0.000 5.967 0.000) 5.967 1.875 ( 0.000 13.493 0.000) 13.493 1.907 ( 0.000 11.304 0.000) 11.304 2.002 ( 0.000 1.927 0.000) 1.927 2.035 ( 0.000 1.231 0.000) 1.231 2.080 ( 0.000 -3.179 0.000) 3.179 2.091 ( 0.000 15.032 0.000) 15.032 2.193 ( 0.000 7.882 0.000) 7.882 2.246 ( 0.000 -2.734 0.000) 2.734 2.331 ( 0.000 -0.411 0.000) 0.411 2.424 ( 0.000 -4.334 0.000) 4.334 2.492 ( 0.000 0.487 0.000) 0.487 2.496 ( 0.000 6.800 0.000) 6.800 2.541 ( 0.000 5.828 0.000) 5.828 2.613 ( 0.000 6.885 0.000) 6.885 2.619 ( 0.000 13.812 0.000) 13.812 2.650 ( 0.000 5.146 0.000) 5.146 2.703 ( 0.000 0.764 0.000) 0.764 2.717 ( 0.000 -7.994 0.000) 7.994 2.766 ( 0.000 4.001 0.000) 4.001 2.767 ( 0.000 7.973 0.000) 7.973 2.917 ( 0.000 1.245 0.000) 1.245 2.958 ( 0.000 -0.869 0.000) 0.869 2.981 ( 0.000 -4.769 0.000) 4.769 3.077 ( 0.000 3.929 0.000) 3.929 3.081 ( 0.000 3.043 0.000) 3.043 3.091 ( 0.000 6.279 0.000) 6.279 3.125 ( 0.000 -1.971 0.000) 1.971 3.186 ( 0.000 -1.396 0.000) 1.396 3.277 ( 0.000 -1.609 0.000) 1.609 3.287 ( 0.000 5.167 0.000) 5.167 3.339 ( 0.000 -4.836 0.000) 4.836 3.356 ( 0.000 -4.327 0.000) 4.327 3.434 ( 0.000 3.757 0.000) 3.757 3.493 ( 0.000 2.465 0.000) 2.465 3.531 ( 0.000 -1.783 0.000) 1.783 3.615 ( 0.000 0.316 0.000) 0.316 3.624 ( 0.000 0.341 0.000) 0.341 3.668 ( 0.000 3.862 0.000) 3.862 3.718 ( 0.000 -1.564 0.000) 1.564 3.730 ( 0.000 -0.351 0.000) 0.351 3.792 ( 0.000 4.460 0.000) 4.460 3.940 ( 0.000 -1.739 0.000) 1.739 3.989 ( 0.000 -3.316 0.000) 3.316 4.029 ( 0.000 0.509 0.000) 0.509 4.032 ( 0.000 5.388 0.000) 5.388 4.110 ( 0.000 -2.339 0.000) 2.339 4.162 ( 0.000 -4.527 0.000) 4.527 4.217 ( 0.000 -1.563 0.000) 1.563 4.269 ( 0.000 6.141 0.000) 6.141 4.290 ( 0.000 1.618 0.000) 1.618 4.312 ( 0.000 2.343 0.000) 2.343 4.357 ( 0.000 -0.598 0.000) 0.598 4.399 ( 0.000 -0.389 0.000) 0.389 4.407 ( 0.000 -1.316 0.000) 1.316 4.422 ( 0.000 4.206 0.000) 4.206 4.451 ( 0.000 1.021 0.000) 1.021 4.497 ( 0.000 -1.159 0.000) 1.159 4.579 ( 0.000 -5.911 0.000) 5.911 4.580 ( 0.000 -2.379 0.000) 2.379 4.627 ( 0.000 -7.619 0.000) 7.619 4.849 ( 0.000 1.927 0.000) 1.927 4.904 ( 0.000 8.379 0.000) 8.379 4.912 ( 0.000 7.242 0.000) 7.242 4.915 ( 0.000 -3.073 0.000) 3.073 4.992 ( 0.000 -8.132 0.000) 8.132 5.043 ( 0.000 -2.700 0.000) 2.700 5.066 ( 0.000 -5.430 0.000) 5.430 5.151 ( 0.000 0.198 0.000) 0.198 5.194 ( 0.000 -1.647 0.000) 1.647 5.297 ( 0.000 -1.266 0.000) 1.266 5.309 ( 0.000 -1.134 0.000) 1.134 5.368 ( 0.000 -2.856 0.000) 2.856 5.385 ( 0.000 6.223 0.000) 6.223 5.386 ( 0.000 -6.710 0.000) 6.710 5.511 ( 0.000 0.264 0.000) 0.264 5.520 ( 0.000 -0.894 0.000) 0.894 5.534 ( 0.000 0.090 0.000) 0.090 5.573 ( 0.000 -2.353 0.000) 2.353 5.574 ( 0.000 -5.582 0.000) 5.582 5.753 ( 0.000 -2.199 0.000) 2.199 5.755 ( 0.000 -1.515 0.000) 1.515 5.780 ( 0.000 5.223 0.000) 5.223 5.801 ( 0.000 -0.469 0.000) 0.469 5.950 ( 0.000 1.163 0.000) 1.163 6.047 ( 0.000 0.889 0.000) 0.889 6.261 ( 0.000 -3.420 0.000) 3.420 6.361 ( 0.000 -1.765 0.000) 1.765 6.361 ( 0.000 2.410 0.000) 2.410 6.624 ( 0.000 -5.092 0.000) 5.092 6.934 ( 0.000 1.355 0.000) 1.355 7.105 ( 0.000 4.629 0.000) 4.629 7.164 ( 0.000 -2.016 0.000) 2.016 7.191 ( 0.000 -1.635 0.000) 1.635 7.198 ( 0.000 0.359 0.000) 0.359 7.297 ( 0.000 -1.899 0.000) 1.899 7.330 ( 0.000 -2.785 0.000) 2.785 7.349 ( 0.000 -1.639 0.000) 1.639 7.856 ( 0.000 0.983 0.000) 0.983 8.017 ( 0.000 0.485 0.000) 0.485 8.046 ( 0.000 4.416 0.000) 4.416 8.091 ( 0.000 5.987 0.000) 5.987 8.193 ( 0.000 7.164 0.000) 7.164 8.198 ( 0.000 2.680 0.000) 2.680 8.603 ( 0.000 5.214 0.000) 5.214 8.630 ( 0.000 -3.596 0.000) 3.596 8.713 ( 0.000 -2.472 0.000) 2.472 8.743 ( 0.000 4.744 0.000) 4.744 8.858 ( 0.000 2.883 0.000) 2.883 9.199 ( 0.000 4.676 0.000) 4.676 9.312 ( 0.000 -1.657 0.000) 1.657 9.356 ( 0.000 -1.002 0.000) 1.002 9.439 ( 0.000 -1.763 0.000) 1.763 9.530 ( 0.000 -0.306 0.000) 0.306 9.683 ( 0.000 4.623 0.000) 4.623 9.698 ( 0.000 -0.018 0.000) 0.018 9.740 ( 0.000 -0.290 0.000) 0.290 9.817 ( 0.000 -1.118 0.000) 1.118 10.032 ( 0.000 -6.864 0.000) 6.864 10.080 ( 0.000 -6.515 0.000) 6.515 10.140 ( 0.000 -5.421 0.000) 5.421 10.367 ( 0.000 -16.020 0.000) 16.020 10.382 ( 0.000 -7.941 0.000) 7.941 10.580 ( 0.000 -6.160 0.000) 6.160 10.593 ( 0.000 -15.075 0.000) 15.075 10.637 ( 0.000 11.180 0.000) 11.180 10.726 ( 0.000 -11.630 0.000) 11.630 10.773 ( 0.000 4.123 0.000) 4.123 10.838 ( 0.000 -13.161 0.000) 13.161 11.081 ( 0.000 -1.593 0.000) 1.593 11.303 ( 0.000 -3.924 0.000) 3.924 11.315 ( 0.000 5.044 0.000) 5.044 11.596 ( 0.000 1.099 0.000) 1.099 11.748 ( 0.000 -7.162 0.000) 7.162 11.903 ( 0.000 0.308 0.000) 0.308 11.935 ( 0.000 9.885 0.000) 9.885 12.096 ( 0.000 17.967 0.000) 17.967 12.240 ( 0.000 -6.087 0.000) 6.087 12.386 ( 0.000 2.373 0.000) 2.373 12.512 ( 0.000 -4.086 0.000) 4.086 12.573 ( 0.000 8.311 0.000) 8.311 12.666 ( 0.000 14.554 0.000) 14.554 12.852 ( 0.000 1.421 0.000) 1.421 13.169 ( 0.000 -7.858 0.000) 7.858 13.211 ( 0.000 -4.919 0.000) 4.919 13.504 ( 0.000 -1.873 0.000) 1.873 16.390 ( 0.000 0.317 0.000) 0.317 16.446 ( 0.000 2.768 0.000) 2.768 16.806 ( 0.000 -1.938 0.000) 1.938 16.826 ( 0.000 5.532 0.000) 5.532 16.860 ( 0.000 -0.161 0.000) 0.161 16.915 ( 0.000 1.119 0.000) 1.119 17.022 ( 0.000 -1.718 0.000) 1.718 17.040 ( 0.000 1.856 0.000) 1.856 17.236 ( 0.000 -3.631 0.000) 3.631 17.310 ( 0.000 -1.396 0.000) 1.396 17.950 ( 0.000 -6.031 0.000) 6.031 17.993 ( 0.000 -7.638 0.000) 7.638 18.836 ( 0.000 0.846 0.000) 0.846 18.998 ( 0.000 0.005 0.000) 0.005 19.013 ( 0.000 -1.580 0.000) 1.580 19.108 ( 0.000 -0.840 0.000) 0.840 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 22.573 15.904 0.000) 27.613 0.872 ( 20.714 20.673 0.000) 29.265 1.320 ( 25.265 32.680 0.000) 41.307 1.484 ( -0.770 13.322 0.000) 13.344 1.591 ( -3.690 2.354 0.000) 4.377 1.662 ( -4.498 10.953 0.000) 11.841 1.851 ( -7.488 7.638 0.000) 10.696 1.851 ( -3.659 8.214 0.000) 8.992 1.884 ( -4.701 5.888 0.000) 7.535 1.925 ( -6.891 3.170 0.000) 7.585 1.965 ( -10.760 10.942 0.000) 15.346 1.976 ( 4.889 10.869 0.000) 11.918 1.999 ( 0.286 5.519 0.000) 5.526 2.113 ( -5.750 8.386 0.000) 10.168 2.178 ( 1.312 2.903 0.000) 3.185 2.243 ( -9.221 5.506 0.000) 10.740 2.275 ( -7.142 5.323 0.000) 8.908 2.437 ( -8.576 8.467 0.000) 12.052 2.539 ( 5.108 -0.397 0.000) 5.124 2.557 ( 0.981 -2.789 0.000) 2.957 2.603 ( -3.359 -1.573 0.000) 3.709 2.644 ( 6.043 0.353 0.000) 6.053 2.648 ( 3.908 3.687 0.000) 5.372 2.714 ( 0.585 4.626 0.000) 4.663 2.755 ( 3.152 7.324 0.000) 7.973 2.840 ( 1.019 1.345 0.000) 1.687 2.888 ( -4.729 -2.995 0.000) 5.598 2.906 ( 9.491 -0.181 0.000) 9.493 2.961 ( -10.919 2.702 0.000) 11.248 3.015 ( -1.045 1.898 0.000) 2.167 3.015 ( 2.126 1.511 0.000) 2.608 3.098 ( -0.459 1.575 0.000) 1.640 3.116 ( -3.796 4.475 0.000) 5.869 3.146 ( 3.372 0.801 0.000) 3.465 3.195 ( -0.005 0.823 0.000) 0.823 3.244 ( 1.398 -1.083 0.000) 1.768 3.264 ( -4.088 1.525 0.000) 4.363 3.321 ( 0.783 -1.718 0.000) 1.888 3.392 ( -1.243 0.794 0.000) 1.475 3.449 ( 4.061 2.668 0.000) 4.860 3.494 ( 3.632 3.462 0.000) 5.018 3.541 ( -3.925 3.433 0.000) 5.214 3.613 ( 5.108 -0.357 0.000) 5.120 3.650 ( -1.740 0.136 0.000) 1.745 3.724 ( 1.768 -2.786 0.000) 3.300 3.729 ( 3.934 1.183 0.000) 4.108 3.816 ( 1.040 -0.334 0.000) 1.092 3.818 ( 10.704 -4.029 0.000) 11.437 3.952 ( -5.396 3.637 0.000) 6.507 3.986 ( 2.861 -2.491 0.000) 3.793 4.001 ( 3.785 -0.305 0.000) 3.797 4.013 ( 1.885 -5.443 0.000) 5.760 4.153 ( -1.518 -1.364 0.000) 2.041 4.180 ( -2.238 -3.208 0.000) 3.912 4.196 ( -7.931 -0.885 0.000) 7.980 4.232 ( 2.619 -0.519 0.000) 2.670 4.293 ( -2.228 0.118 0.000) 2.231 4.310 ( 1.087 3.716 0.000) 3.872 4.378 ( 4.624 2.277 0.000) 5.154 4.436 ( 8.235 0.319 0.000) 8.241 4.441 ( 6.606 -0.601 0.000) 6.633 4.451 ( 1.704 -4.006 0.000) 4.353 4.502 ( 2.149 0.842 0.000) 2.308 4.536 ( 2.518 -2.983 0.000) 3.904 4.572 ( -7.512 2.517 0.000) 7.922 4.579 ( -1.913 -1.031 0.000) 2.173 4.633 ( 4.228 -0.425 0.000) 4.249 4.721 ( -0.129 0.723 0.000) 0.735 4.819 ( -2.065 -0.776 0.000) 2.206 4.929 ( -4.939 -0.556 0.000) 4.970 4.957 ( -7.148 3.337 0.000) 7.889 5.007 ( 3.028 -3.589 0.000) 4.695 5.011 ( -1.499 -4.962 0.000) 5.183 5.097 ( -8.274 2.043 0.000) 8.523 5.118 ( -4.756 -0.589 0.000) 4.792 5.145 ( 1.451 -2.513 0.000) 2.902 5.190 ( -3.922 -0.282 0.000) 3.933 5.217 ( -4.888 -0.563 0.000) 4.921 5.315 ( 1.320 -3.498 0.000) 3.739 5.357 ( -3.152 -1.055 0.000) 3.324 5.403 ( -6.620 5.279 0.000) 8.467 5.455 ( -0.306 1.749 0.000) 1.776 5.526 ( 1.382 -0.499 0.000) 1.470 5.543 ( -1.126 -0.442 0.000) 1.210 5.618 ( 4.354 -4.339 0.000) 6.147 5.644 ( 0.117 -4.410 0.000) 4.411 5.649 ( 1.302 -1.893 0.000) 2.297 5.737 ( 3.618 -2.361 0.000) 4.320 5.853 ( 3.070 3.289 0.000) 4.499 5.901 ( 4.652 -1.340 0.000) 4.841 5.965 ( 0.784 -0.951 0.000) 1.233 6.061 ( 0.952 0.213 0.000) 0.976 6.267 ( 1.104 -2.117 0.000) 2.388 6.354 ( -0.721 -1.971 0.000) 2.099 6.397 ( 0.632 0.419 0.000) 0.758 6.552 ( -6.152 -3.008 0.000) 6.848 6.962 ( 2.048 1.784 0.000) 2.716 7.080 ( 1.191 2.630 0.000) 2.887 7.106 ( -3.845 -0.343 0.000) 3.860 7.209 ( 1.074 -0.827 0.000) 1.355 7.212 ( -1.300 0.665 0.000) 1.461 7.232 ( -0.924 0.384 0.000) 1.000 7.334 ( 1.127 -0.686 0.000) 1.319 7.341 ( -0.859 -0.384 0.000) 0.941 7.975 ( 3.169 1.211 0.000) 3.392 8.000 ( 0.602 3.127 0.000) 3.184 8.082 ( -0.579 6.163 0.000) 6.190 8.157 ( -3.082 3.595 0.000) 4.736 8.245 ( 13.331 0.808 0.000) 13.355 8.435 ( 10.897 -6.184 0.000) 12.530 8.611 ( -0.235 2.279 0.000) 2.291 8.665 ( -0.726 -2.403 0.000) 2.510 8.717 ( 0.871 2.793 0.000) 2.925 8.748 ( 4.224 0.530 0.000) 4.257 8.826 ( -2.009 2.503 0.000) 3.210 9.186 ( -11.130 6.878 0.000) 13.084 9.324 ( 8.413 0.416 0.000) 8.423 9.372 ( 1.433 -0.947 0.000) 1.717 9.396 ( -3.202 0.056 0.000) 3.202 9.477 ( -4.809 -1.926 0.000) 5.180 9.562 ( -1.106 -3.871 0.000) 4.026 9.628 ( -0.759 4.072 0.000) 4.142 9.753 ( 1.571 1.993 0.000) 2.538 9.904 ( -2.350 -7.012 0.000) 7.396 10.004 ( 1.863 -2.598 0.000) 3.197 10.095 ( 3.931 -0.513 0.000) 3.964 10.145 ( 5.003 -1.577 0.000) 5.246 10.262 ( -4.712 -11.453 0.000) 12.384 10.457 ( -7.453 -13.288 0.000) 15.236 10.496 ( -10.041 -9.070 0.000) 13.531 10.682 ( 1.726 -10.018 0.000) 10.165 10.716 ( 1.540 -11.469 0.000) 11.572 10.764 ( 4.424 -7.832 0.000) 8.995 10.797 ( 6.460 -6.666 0.000) 9.283 10.981 ( 10.017 -4.278 0.000) 10.892 11.098 ( -2.085 -7.007 0.000) 7.310 11.264 ( 1.938 9.235 0.000) 9.436 11.358 ( 4.426 -1.046 0.000) 4.548 11.619 ( 1.712 -0.858 0.000) 1.915 11.709 ( -3.572 -7.804 0.000) 8.582 11.849 ( -4.146 -2.300 0.000) 4.741 11.970 ( -3.339 12.899 0.000) 13.325 12.053 ( -10.697 13.833 0.000) 17.486 12.087 ( -0.922 18.219 0.000) 18.242 12.333 ( -2.879 1.585 0.000) 3.287 12.412 ( 1.540 3.628 0.000) 3.941 12.560 ( -0.437 1.407 0.000) 1.473 12.612 ( -4.242 11.933 0.000) 12.665 13.011 ( 9.003 -1.879 0.000) 9.197 13.180 ( 0.751 -7.026 0.000) 7.066 13.214 ( 0.188 -4.401 0.000) 4.406 13.317 ( -6.529 4.084 0.000) 7.701 16.469 ( 4.442 1.514 0.000) 4.693 16.686 ( 10.437 -9.421 0.000) 14.060 16.714 ( -5.337 1.157 0.000) 5.461 16.850 ( -0.844 -0.910 0.000) 1.241 16.894 ( 3.014 2.242 0.000) 3.756 16.917 ( 0.269 1.028 0.000) 1.063 16.995 ( -1.687 -0.954 0.000) 1.938 17.053 ( -0.919 0.295 0.000) 0.966 17.302 ( 5.260 -3.853 0.000) 6.520 17.348 ( 5.028 -4.038 0.000) 6.449 17.771 ( -9.586 1.683 0.000) 9.733 17.892 ( -8.357 -6.559 0.000) 10.623 18.873 ( 3.018 0.520 0.000) 3.063 18.997 ( -1.585 -1.133 0.000) 1.948 19.001 ( 1.294 0.772 0.000) 1.507 19.091 ( -1.487 -0.749 0.000) 1.665 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -10.336 14.194 0.000) 17.558 1.286 ( 10.336 14.194 0.000) 17.558 1.333 ( -12.004 9.605 0.000) 15.373 1.333 ( 12.004 9.605 0.000) 15.373 1.651 ( -4.385 12.662 0.000) 13.400 1.651 ( 4.385 12.662 0.000) 13.400 1.740 ( -1.152 11.076 0.000) 11.136 1.740 ( 1.152 11.076 0.000) 11.136 1.802 ( -1.004 5.331 0.000) 5.425 1.802 ( 1.004 5.331 0.000) 5.425 1.998 ( -3.757 4.245 0.000) 5.669 1.998 ( 3.757 4.245 0.000) 5.669 2.091 ( -7.382 6.859 0.000) 10.077 2.091 ( 7.382 6.859 0.000) 10.077 2.155 ( -11.367 9.306 0.000) 14.690 2.155 ( 11.367 9.306 0.000) 14.690 2.230 ( -5.411 9.936 0.000) 11.314 2.230 ( 5.411 9.936 0.000) 11.314 2.568 ( -8.170 2.945 0.000) 8.685 2.568 ( 8.170 2.945 0.000) 8.685 2.638 ( -3.247 -1.789 0.000) 3.707 2.638 ( 3.247 -1.789 0.000) 3.707 2.692 ( -3.456 1.399 0.000) 3.728 2.692 ( 3.456 1.399 0.000) 3.728 2.794 ( -4.828 1.734 0.000) 5.130 2.794 ( 4.828 1.734 0.000) 5.130 2.911 ( -7.947 1.276 0.000) 8.048 2.911 ( 7.947 1.276 0.000) 8.048 2.940 ( -11.576 1.633 0.000) 11.691 2.940 ( 11.576 1.633 0.000) 11.691 3.050 ( -0.363 4.897 0.000) 4.910 3.050 ( 0.363 4.897 0.000) 4.910 3.095 ( -0.016 -1.492 0.000) 1.492 3.095 ( 0.016 -1.492 0.000) 1.492 3.219 ( -2.177 0.080 0.000) 2.179 3.219 ( 2.177 0.080 0.000) 2.179 3.334 ( -0.430 1.418 0.000) 1.481 3.334 ( 0.430 1.418 0.000) 1.481 3.410 ( -8.246 0.651 0.000) 8.271 3.410 ( 8.246 0.651 0.000) 8.271 3.512 ( -3.587 6.562 0.000) 7.479 3.512 ( 3.587 6.562 0.000) 7.479 3.670 ( -4.415 -0.323 0.000) 4.426 3.670 ( 4.415 -0.323 0.000) 4.426 3.754 ( -4.183 -0.952 0.000) 4.290 3.754 ( 4.183 -0.952 0.000) 4.290 3.886 ( -4.098 -4.287 0.000) 5.931 3.886 ( 4.098 -4.287 0.000) 5.931 3.992 ( -6.642 -2.887 0.000) 7.243 3.992 ( 6.642 -2.887 0.000) 7.243 4.085 ( -6.306 -1.026 0.000) 6.389 4.085 ( 6.306 -1.026 0.000) 6.389 4.144 ( -0.944 0.651 0.000) 1.147 4.144 ( 0.944 0.651 0.000) 1.147 4.174 ( -7.454 -4.807 0.000) 8.870 4.174 ( 7.454 -4.807 0.000) 8.870 4.233 ( -2.372 -4.147 0.000) 4.777 4.233 ( 2.372 -4.147 0.000) 4.777 4.415 ( -3.204 -0.844 0.000) 3.313 4.415 ( 3.204 -0.844 0.000) 3.313 4.505 ( -1.181 -3.364 0.000) 3.565 4.505 ( 1.181 -3.364 0.000) 3.565 4.591 ( -1.969 0.169 0.000) 1.976 4.591 ( 1.969 0.169 0.000) 1.976 4.651 ( -2.631 7.681 0.000) 8.120 4.651 ( 2.631 7.681 0.000) 8.120 4.711 ( -0.339 1.654 0.000) 1.688 4.711 ( 0.339 1.654 0.000) 1.688 4.802 ( -4.039 2.751 0.000) 4.887 4.802 ( 4.039 2.751 0.000) 4.887 4.892 ( -7.547 -0.942 0.000) 7.606 4.892 ( 7.547 -0.942 0.000) 7.606 5.003 ( -6.834 -1.104 0.000) 6.923 5.003 ( 6.834 -1.104 0.000) 6.923 5.051 ( -4.014 0.148 0.000) 4.017 5.051 ( 4.014 0.148 0.000) 4.017 5.152 ( -0.568 2.294 0.000) 2.363 5.152 ( 0.568 2.294 0.000) 2.363 5.316 ( -2.591 -3.488 0.000) 4.345 5.316 ( 2.591 -3.488 0.000) 4.345 5.385 ( -3.150 -2.220 0.000) 3.854 5.385 ( 3.150 -2.220 0.000) 3.854 5.577 ( -0.133 -4.549 0.000) 4.551 5.577 ( 0.133 -4.549 0.000) 4.551 5.662 ( -0.349 -1.120 0.000) 1.173 5.662 ( 0.349 -1.120 0.000) 1.173 5.724 ( -4.080 -1.392 0.000) 4.310 5.724 ( 4.080 -1.392 0.000) 4.310 5.917 ( -2.605 1.043 0.000) 2.806 5.917 ( 2.605 1.043 0.000) 2.806 6.033 ( -3.915 -2.261 0.000) 4.521 6.033 ( 3.915 -2.261 0.000) 4.521 6.319 ( -2.757 -2.544 0.000) 3.752 6.319 ( 2.757 -2.544 0.000) 3.752 6.427 ( -3.559 1.557 0.000) 3.885 6.427 ( 3.559 1.557 0.000) 3.885 7.019 ( -3.557 0.901 0.000) 3.669 7.019 ( 3.557 0.901 0.000) 3.669 7.153 ( -3.810 0.500 0.000) 3.842 7.153 ( 3.810 0.500 0.000) 3.842 7.229 ( -0.566 -0.869 0.000) 1.037 7.229 ( 0.566 -0.869 0.000) 1.037 7.334 ( -0.358 0.667 0.000) 0.757 7.334 ( 0.358 0.667 0.000) 0.757 8.013 ( -0.162 3.177 0.000) 3.181 8.013 ( 0.162 3.177 0.000) 3.181 8.092 ( -2.077 5.290 0.000) 5.683 8.092 ( 2.077 5.290 0.000) 5.683 8.519 ( -9.881 0.254 0.000) 9.885 8.519 ( 9.881 0.254 0.000) 9.885 8.572 ( -2.973 -1.916 0.000) 3.537 8.572 ( 2.973 -1.916 0.000) 3.537 8.786 ( -2.290 0.540 0.000) 2.353 8.786 ( 2.290 0.540 0.000) 2.353 8.920 ( -11.241 4.485 0.000) 12.103 8.920 ( 11.241 4.485 0.000) 12.103 9.384 ( -2.533 -1.675 0.000) 3.036 9.384 ( 2.533 -1.675 0.000) 3.036 9.413 ( -0.341 -1.871 0.000) 1.901 9.413 ( 0.341 -1.871 0.000) 1.901 9.617 ( -4.213 -3.039 0.000) 5.194 9.617 ( 4.213 -3.039 0.000) 5.194 9.796 ( -1.670 4.163 0.000) 4.486 9.796 ( 1.670 4.163 0.000) 4.486 10.175 ( -2.591 -0.618 0.000) 2.664 10.175 ( 2.591 -0.618 0.000) 2.664 10.198 ( -12.696 -2.904 0.000) 13.023 10.198 ( 12.696 -2.904 0.000) 13.023 10.276 ( -6.794 -14.898 0.000) 16.374 10.276 ( 6.794 -14.898 0.000) 16.374 10.768 ( -2.512 -14.841 0.000) 15.052 10.768 ( 2.512 -14.841 0.000) 15.052 10.799 ( -7.660 -8.911 0.000) 11.751 10.799 ( 7.660 -8.911 0.000) 11.751 11.067 ( -1.533 0.124 0.000) 1.538 11.067 ( 1.533 0.124 0.000) 1.538 11.409 ( -4.243 5.561 0.000) 6.995 11.409 ( 4.243 5.561 0.000) 6.995 11.640 ( -0.454 -3.664 0.000) 3.692 11.640 ( 0.454 -3.664 0.000) 3.692 11.774 ( -0.179 1.939 0.000) 1.947 11.774 ( 0.179 1.939 0.000) 1.947 12.060 ( -1.491 15.448 0.000) 15.520 12.060 ( 1.491 15.448 0.000) 15.520 12.384 ( -4.481 5.439 0.000) 7.047 12.384 ( 4.481 5.439 0.000) 7.047 12.551 ( -0.276 4.583 0.000) 4.592 12.551 ( 0.276 4.583 0.000) 4.592 13.157 ( -3.845 -4.364 0.000) 5.817 13.157 ( 3.845 -4.364 0.000) 5.817 13.235 ( -2.117 -2.376 0.000) 3.182 13.235 ( 2.117 -2.376 0.000) 3.182 16.588 ( -6.022 1.307 0.000) 6.162 16.588 ( 6.022 1.307 0.000) 6.162 16.813 ( -2.939 -3.567 0.000) 4.622 16.813 ( 2.939 -3.567 0.000) 4.622 16.928 ( -0.396 0.591 0.000) 0.712 16.928 ( 0.396 0.591 0.000) 0.712 16.998 ( -2.647 1.386 0.000) 2.988 16.998 ( 2.647 1.386 0.000) 2.988 17.416 ( -2.949 -5.682 0.000) 6.401 17.416 ( 2.949 -5.682 0.000) 6.401 17.704 ( -5.799 -2.045 0.000) 6.149 17.704 ( 5.799 -2.045 0.000) 6.149 18.944 ( -3.126 -0.236 0.000) 3.135 18.944 ( 3.126 -0.236 0.000) 3.135 19.046 ( -2.430 -0.260 0.000) 2.444 19.046 ( 2.430 -0.260 0.000) 2.444 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 23.483 0.000) 23.483 1.028 ( 0.000 24.577 0.000) 24.577 1.643 ( 0.000 -0.833 0.000) 0.833 1.721 ( 0.000 12.027 0.000) 12.027 1.904 ( 0.000 0.283 0.000) 0.283 1.913 ( 0.000 42.018 0.000) 42.018 2.041 ( 0.000 5.849 0.000) 5.849 2.064 ( 0.000 4.536 0.000) 4.536 2.074 ( 0.000 2.910 0.000) 2.910 2.139 ( 0.000 13.842 0.000) 13.842 2.175 ( 0.000 17.925 0.000) 17.925 2.197 ( 0.000 15.407 0.000) 15.407 2.234 ( 0.000 0.737 0.000) 0.737 2.332 ( 0.000 -1.551 0.000) 1.551 2.370 ( 0.000 9.648 0.000) 9.648 2.375 ( 0.000 4.761 0.000) 4.761 2.391 ( 0.000 13.001 0.000) 13.001 2.542 ( 0.000 -6.636 0.000) 6.636 2.566 ( 0.000 9.927 0.000) 9.927 2.652 ( 0.000 5.521 0.000) 5.521 2.707 ( 0.000 4.654 0.000) 4.654 2.709 ( 0.000 11.721 0.000) 11.721 2.783 ( 0.000 8.429 0.000) 8.429 2.811 ( 0.000 1.578 0.000) 1.578 2.835 ( 0.000 9.268 0.000) 9.268 2.886 ( 0.000 -2.778 0.000) 2.778 2.899 ( 0.000 10.478 0.000) 10.478 2.903 ( 0.000 -3.762 0.000) 3.762 2.927 ( 0.000 4.367 0.000) 4.367 2.975 ( 0.000 6.236 0.000) 6.236 3.094 ( 0.000 1.551 0.000) 1.551 3.111 ( 0.000 -3.938 0.000) 3.938 3.142 ( 0.000 -1.244 0.000) 1.244 3.202 ( 0.000 7.217 0.000) 7.217 3.217 ( 0.000 7.067 0.000) 7.067 3.233 ( 0.000 -0.429 0.000) 0.429 3.235 ( 0.000 -5.043 0.000) 5.043 3.262 ( 0.000 -3.761 0.000) 3.761 3.424 ( 0.000 7.587 0.000) 7.587 3.486 ( 0.000 -2.696 0.000) 2.696 3.544 ( 0.000 1.128 0.000) 1.128 3.551 ( 0.000 8.610 0.000) 8.610 3.605 ( 0.000 -0.151 0.000) 0.151 3.629 ( 0.000 -7.197 0.000) 7.197 3.658 ( 0.000 3.890 0.000) 3.890 3.708 ( 0.000 -1.928 0.000) 1.928 3.786 ( 0.000 7.367 0.000) 7.367 3.860 ( 0.000 1.111 0.000) 1.111 3.913 ( 0.000 -0.453 0.000) 0.453 3.937 ( 0.000 -4.104 0.000) 4.104 4.049 ( 0.000 3.196 0.000) 3.196 4.075 ( 0.000 -0.382 0.000) 0.382 4.110 ( 0.000 0.436 0.000) 0.436 4.128 ( 0.000 3.271 0.000) 3.271 4.259 ( 0.000 6.667 0.000) 6.667 4.272 ( 0.000 -4.960 0.000) 4.960 4.301 ( 0.000 -8.050 0.000) 8.050 4.311 ( 0.000 -2.141 0.000) 2.141 4.341 ( 0.000 -0.077 0.000) 0.077 4.413 ( 0.000 2.683 0.000) 2.683 4.425 ( 0.000 4.834 0.000) 4.834 4.463 ( 0.000 -7.091 0.000) 7.091 4.486 ( 0.000 8.068 0.000) 8.068 4.502 ( 0.000 1.230 0.000) 1.230 4.505 ( 0.000 0.727 0.000) 0.727 4.547 ( 0.000 2.646 0.000) 2.646 4.617 ( 0.000 3.978 0.000) 3.978 4.750 ( 0.000 -10.915 0.000) 10.915 4.793 ( 0.000 -11.544 0.000) 11.544 4.870 ( 0.000 -1.075 0.000) 1.075 4.964 ( 0.000 -4.409 0.000) 4.409 5.019 ( 0.000 -1.713 0.000) 1.713 5.025 ( 0.000 3.698 0.000) 3.698 5.041 ( 0.000 4.765 0.000) 4.765 5.087 ( 0.000 -10.745 0.000) 10.745 5.187 ( 0.000 -1.111 0.000) 1.111 5.203 ( 0.000 -8.106 0.000) 8.106 5.223 ( 0.000 -5.817 0.000) 5.817 5.283 ( 0.000 0.076 0.000) 0.076 5.337 ( 0.000 -1.696 0.000) 1.696 5.439 ( 0.000 -5.529 0.000) 5.529 5.467 ( 0.000 -3.882 0.000) 3.882 5.482 ( 0.000 3.673 0.000) 3.673 5.502 ( 0.000 -1.467 0.000) 1.467 5.519 ( 0.000 -2.818 0.000) 2.818 5.554 ( 0.000 -0.132 0.000) 0.132 5.672 ( 0.000 -6.518 0.000) 6.518 5.749 ( 0.000 1.384 0.000) 1.384 5.774 ( 0.000 -2.790 0.000) 2.790 5.878 ( 0.000 4.172 0.000) 4.172 5.983 ( 0.000 1.898 0.000) 1.898 6.061 ( 0.000 0.347 0.000) 0.347 6.187 ( 0.000 -3.803 0.000) 3.803 6.314 ( 0.000 -2.944 0.000) 2.944 6.403 ( 0.000 1.549 0.000) 1.549 6.510 ( 0.000 -6.106 0.000) 6.106 6.989 ( 0.000 4.212 0.000) 4.212 7.118 ( 0.000 -2.464 0.000) 2.464 7.158 ( 0.000 -1.613 0.000) 1.613 7.193 ( 0.000 4.108 0.000) 4.108 7.209 ( 0.000 0.704 0.000) 0.704 7.242 ( 0.000 -3.613 0.000) 3.613 7.263 ( 0.000 -3.843 0.000) 3.843 7.316 ( 0.000 -1.516 0.000) 1.516 7.916 ( 0.000 5.020 0.000) 5.020 8.041 ( 0.000 2.351 0.000) 2.351 8.173 ( 0.000 8.198 0.000) 8.198 8.206 ( 0.000 5.965 0.000) 5.965 8.251 ( 0.000 2.223 0.000) 2.223 8.355 ( 0.000 8.371 0.000) 8.371 8.529 ( 0.000 -6.742 0.000) 6.742 8.661 ( 0.000 -3.060 0.000) 3.060 8.747 ( 0.000 9.750 0.000) 9.750 8.870 ( 0.000 7.907 0.000) 7.907 8.909 ( 0.000 2.491 0.000) 2.491 9.268 ( 0.000 -3.099 0.000) 3.099 9.279 ( 0.000 2.263 0.000) 2.263 9.332 ( 0.000 -1.059 0.000) 1.059 9.417 ( 0.000 -0.304 0.000) 0.304 9.508 ( 0.000 -1.835 0.000) 1.835 9.694 ( 0.000 -1.061 0.000) 1.061 9.713 ( 0.000 -3.053 0.000) 3.053 9.774 ( 0.000 3.911 0.000) 3.911 9.786 ( 0.000 -2.655 0.000) 2.655 9.813 ( 0.000 -9.894 0.000) 9.894 9.988 ( 0.000 -9.679 0.000) 9.679 10.074 ( 0.000 0.877 0.000) 0.877 10.097 ( 0.000 -11.510 0.000) 11.510 10.252 ( 0.000 -4.064 0.000) 4.064 10.274 ( 0.000 -15.628 0.000) 15.628 10.444 ( 0.000 -7.070 0.000) 7.070 10.483 ( 0.000 -8.172 0.000) 8.172 10.635 ( 0.000 -8.030 0.000) 8.030 10.786 ( 0.000 3.918 0.000) 3.918 10.869 ( 0.000 6.196 0.000) 6.196 10.955 ( 0.000 -7.733 0.000) 7.733 11.388 ( 0.000 1.990 0.000) 1.990 11.393 ( 0.000 8.483 0.000) 8.483 11.574 ( 0.000 -10.490 0.000) 10.490 11.582 ( 0.000 -4.000 0.000) 4.000 11.875 ( 0.000 -3.900 0.000) 3.900 11.967 ( 0.000 -6.527 0.000) 6.527 12.199 ( 0.000 2.224 0.000) 2.224 12.337 ( 0.000 5.155 0.000) 5.155 12.442 ( 0.000 -2.085 0.000) 2.085 12.543 ( 0.000 14.690 0.000) 14.690 12.708 ( 0.000 5.693 0.000) 5.693 12.924 ( 0.000 5.409 0.000) 5.409 12.956 ( 0.000 14.381 0.000) 14.381 12.968 ( 0.000 -12.419 0.000) 12.419 13.087 ( 0.000 -7.367 0.000) 7.367 13.469 ( 0.000 -1.754 0.000) 1.754 16.417 ( 0.000 2.578 0.000) 2.578 16.507 ( 0.000 3.524 0.000) 3.524 16.755 ( 0.000 -3.416 0.000) 3.416 16.843 ( 0.000 -2.054 0.000) 2.054 16.935 ( 0.000 0.743 0.000) 0.743 16.956 ( 0.000 4.317 0.000) 4.317 16.998 ( 0.000 2.835 0.000) 2.835 17.095 ( 0.000 3.903 0.000) 3.903 17.158 ( 0.000 -3.654 0.000) 3.654 17.272 ( 0.000 -2.411 0.000) 2.411 17.795 ( 0.000 -9.640 0.000) 9.640 17.801 ( 0.000 -11.601 0.000) 11.601 18.853 ( 0.000 0.896 0.000) 0.896 18.974 ( 0.000 -2.375 0.000) 2.375 18.999 ( 0.000 0.129 0.000) 0.129 19.084 ( 0.000 -1.556 0.000) 1.556 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 13.196 18.872 0.000) 23.028 1.261 ( 18.249 19.134 0.000) 26.441 1.618 ( -2.797 0.268 0.000) 2.810 1.775 ( 2.848 14.351 0.000) 14.631 1.804 ( -5.842 4.185 0.000) 7.187 1.924 ( -4.483 13.145 0.000) 13.888 1.937 ( -4.589 1.500 0.000) 4.828 1.990 ( -4.259 12.256 0.000) 12.975 2.049 ( 2.208 14.540 0.000) 14.706 2.114 ( -1.498 6.533 0.000) 6.703 2.158 ( -4.691 16.406 0.000) 17.064 2.192 ( -8.274 10.938 0.000) 13.715 2.240 ( -2.023 2.951 0.000) 3.578 2.276 ( 0.311 17.461 0.000) 17.464 2.330 ( -1.109 8.261 0.000) 8.335 2.393 ( -3.059 16.134 0.000) 16.422 2.421 ( 3.977 9.759 0.000) 10.538 2.497 ( 3.665 -0.558 0.000) 3.707 2.541 ( 2.246 1.592 0.000) 2.753 2.592 ( -5.456 7.228 0.000) 9.056 2.622 ( -3.081 4.727 0.000) 5.643 2.730 ( 2.525 4.501 0.000) 5.161 2.772 ( -5.400 3.992 0.000) 6.716 2.826 ( 0.734 5.295 0.000) 5.346 2.870 ( 5.145 0.417 0.000) 5.162 2.875 ( 0.585 8.572 0.000) 8.591 2.923 ( 1.758 5.615 0.000) 5.884 2.926 ( 0.891 7.199 0.000) 7.254 2.989 ( 5.118 -1.115 0.000) 5.238 3.029 ( 2.326 1.414 0.000) 2.722 3.056 ( -7.505 5.867 0.000) 9.526 3.135 ( -2.148 0.295 0.000) 2.169 3.178 ( -1.097 3.368 0.000) 3.542 3.184 ( 0.553 2.181 0.000) 2.250 3.204 ( 2.096 -1.274 0.000) 2.453 3.242 ( 0.602 -1.442 0.000) 1.563 3.293 ( -0.322 2.665 0.000) 2.684 3.298 ( 3.098 0.397 0.000) 3.123 3.437 ( 2.454 3.153 0.000) 3.995 3.513 ( 3.427 4.112 0.000) 5.353 3.556 ( -2.392 -1.274 0.000) 2.710 3.589 ( 2.816 6.003 0.000) 6.631 3.647 ( 1.496 3.541 0.000) 3.844 3.663 ( 3.482 -3.684 0.000) 5.069 3.670 ( 2.104 0.659 0.000) 2.204 3.719 ( -0.461 -1.214 0.000) 1.299 3.774 ( 6.517 0.647 0.000) 6.549 3.794 ( -1.968 -0.611 0.000) 2.060 3.919 ( 0.185 -2.119 0.000) 2.127 3.971 ( -0.843 -0.729 0.000) 1.115 4.001 ( 3.553 0.586 0.000) 3.601 4.040 ( -7.134 4.550 0.000) 8.461 4.075 ( -2.213 -5.795 0.000) 6.203 4.164 ( -5.348 -2.774 0.000) 6.024 4.180 ( -4.037 0.859 0.000) 4.127 4.246 ( -8.099 -1.289 0.000) 8.201 4.248 ( 1.920 2.694 0.000) 3.308 4.330 ( -3.569 -3.477 0.000) 4.982 4.350 ( 2.403 -4.320 0.000) 4.943 4.417 ( 0.973 -2.712 0.000) 2.881 4.423 ( 0.401 -1.412 0.000) 1.467 4.458 ( 4.579 3.004 0.000) 5.476 4.493 ( 0.021 0.059 0.000) 0.063 4.530 ( 5.771 2.148 0.000) 6.158 4.555 ( 4.398 4.266 0.000) 6.128 4.643 ( 0.387 3.272 0.000) 3.295 4.672 ( 5.573 0.267 0.000) 5.579 4.744 ( -0.649 1.004 0.000) 1.195 4.774 ( 3.891 -6.403 0.000) 7.493 4.858 ( 4.730 -10.432 0.000) 11.454 4.944 ( -2.847 4.400 0.000) 5.241 4.974 ( -5.379 -0.804 0.000) 5.439 4.974 ( -5.025 -2.891 0.000) 5.798 5.052 ( 3.754 -4.290 0.000) 5.701 5.110 ( -5.465 -0.463 0.000) 5.485 5.158 ( -5.866 -5.326 0.000) 7.923 5.180 ( -2.440 -4.407 0.000) 5.037 5.183 ( -1.715 0.556 0.000) 1.803 5.227 ( 2.931 2.372 0.000) 3.771 5.289 ( -5.831 -5.575 0.000) 8.068 5.404 ( 4.685 -4.928 0.000) 6.800 5.437 ( -3.007 -7.809 0.000) 8.368 5.514 ( -8.377 -2.444 0.000) 8.726 5.520 ( -6.929 5.873 0.000) 9.083 5.593 ( 2.333 0.530 0.000) 2.392 5.605 ( 4.063 0.276 0.000) 4.072 5.630 ( 1.788 -0.508 0.000) 1.859 5.659 ( 3.630 -5.367 0.000) 6.479 5.826 ( 5.046 -5.551 0.000) 7.502 5.903 ( -1.088 1.441 0.000) 1.806 5.970 ( -1.118 0.522 0.000) 1.234 6.040 ( 0.209 -2.794 0.000) 2.802 6.242 ( 3.392 -0.532 0.000) 3.433 6.308 ( -1.126 -2.631 0.000) 2.862 6.403 ( -0.147 0.102 0.000) 0.179 6.483 ( -1.888 -3.876 0.000) 4.311 7.016 ( 1.657 3.813 0.000) 4.157 7.098 ( -1.960 -0.579 0.000) 2.044 7.110 ( -0.484 0.194 0.000) 0.522 7.203 ( -1.273 -0.569 0.000) 1.394 7.208 ( 0.590 0.373 0.000) 0.698 7.223 ( -1.234 -1.456 0.000) 1.908 7.308 ( 2.948 -1.515 0.000) 3.314 7.328 ( 0.566 -0.880 0.000) 1.046 8.021 ( 5.824 3.606 0.000) 6.850 8.087 ( 2.118 5.387 0.000) 5.788 8.204 ( -0.348 6.046 0.000) 6.056 8.230 ( -1.299 3.533 0.000) 3.765 8.275 ( 9.274 2.353 0.000) 9.568 8.428 ( 5.932 3.242 0.000) 6.760 8.571 ( 2.371 -5.921 0.000) 6.378 8.650 ( -2.056 1.129 0.000) 2.345 8.793 ( 4.973 4.709 0.000) 6.849 8.829 ( -2.780 7.287 0.000) 7.799 8.881 ( -1.763 3.162 0.000) 3.620 9.237 ( -5.002 -0.903 0.000) 5.083 9.321 ( 2.415 -1.286 0.000) 2.736 9.356 ( 1.509 -0.700 0.000) 1.664 9.390 ( -4.200 -0.517 0.000) 4.232 9.449 ( -3.676 -0.648 0.000) 3.733 9.520 ( -6.326 -1.295 0.000) 6.457 9.685 ( -3.905 -0.066 0.000) 3.906 9.749 ( 1.775 -1.784 0.000) 2.516 9.763 ( 2.731 -5.986 0.000) 6.579 9.908 ( 6.243 -8.560 0.000) 10.595 9.989 ( -4.355 -7.809 0.000) 8.941 10.115 ( 1.911 -4.831 0.000) 5.195 10.152 ( 2.915 -0.014 0.000) 2.915 10.183 ( -4.241 -11.631 0.000) 12.380 10.271 ( -2.222 -9.972 0.000) 10.216 10.493 ( 3.668 -8.559 0.000) 9.312 10.525 ( 2.063 -7.405 0.000) 7.688 10.592 ( -4.199 -2.727 0.000) 5.007 10.742 ( -4.236 -6.262 0.000) 7.560 10.972 ( 10.668 1.335 0.000) 10.751 11.036 ( 6.995 2.122 0.000) 7.310 11.380 ( 0.330 1.609 0.000) 1.642 11.429 ( 1.796 4.378 0.000) 4.732 11.546 ( -4.045 -5.493 0.000) 6.822 11.557 ( -1.085 -7.139 0.000) 7.221 11.782 ( -4.642 -3.359 0.000) 5.730 12.081 ( 6.282 -3.039 0.000) 6.979 12.222 ( 0.095 6.589 0.000) 6.589 12.357 ( -5.082 0.638 0.000) 5.122 12.394 ( 1.940 8.978 0.000) 9.185 12.487 ( -3.813 7.205 0.000) 8.152 12.622 ( -1.863 5.237 0.000) 5.558 12.846 ( -7.281 8.222 0.000) 10.982 13.014 ( 5.014 2.237 0.000) 5.490 13.022 ( 2.898 -5.997 0.000) 6.661 13.114 ( 2.050 -5.179 0.000) 5.570 13.349 ( -8.379 -0.059 0.000) 8.379 16.495 ( 4.729 1.186 0.000) 4.875 16.600 ( 7.777 -0.276 0.000) 7.782 16.707 ( -3.953 -1.854 0.000) 4.366 16.825 ( -1.787 -1.988 0.000) 2.674 16.936 ( 0.149 0.626 0.000) 0.644 16.969 ( -0.284 -1.500 0.000) 1.526 16.989 ( 0.891 7.291 0.000) 7.345 17.091 ( -1.139 3.515 0.000) 3.695 17.220 ( 4.873 -3.956 0.000) 6.277 17.286 ( 1.882 -3.043 0.000) 3.578 17.704 ( -6.678 -7.081 0.000) 9.733 17.726 ( -6.022 -10.139 0.000) 11.793 18.883 ( 2.374 0.457 0.000) 2.418 18.967 ( -0.744 -1.824 0.000) 1.970 19.007 ( 0.836 0.007 0.000) 0.836 19.070 ( -1.235 -1.400 0.000) 1.867 ======================= Grid point 12 (9/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -9.571 7.083 0.000) 11.907 1.474 ( 9.571 7.083 0.000) 11.907 1.651 ( -13.409 18.001 0.000) 22.446 1.651 ( 13.409 18.001 0.000) 22.446 1.799 ( -4.891 5.331 0.000) 7.234 1.799 ( 4.891 5.331 0.000) 7.234 1.915 ( -3.532 6.008 0.000) 6.970 1.915 ( 3.532 6.008 0.000) 6.970 2.030 ( -2.361 13.847 0.000) 14.047 2.030 ( 2.361 13.847 0.000) 14.047 2.134 ( -0.683 8.291 0.000) 8.319 2.134 ( 0.683 8.291 0.000) 8.319 2.211 ( -2.388 3.633 0.000) 4.348 2.211 ( 2.388 3.633 0.000) 4.348 2.400 ( -4.370 13.830 0.000) 14.504 2.400 ( 4.370 13.830 0.000) 14.504 2.427 ( -3.042 9.664 0.000) 10.131 2.427 ( 3.042 9.664 0.000) 10.131 2.637 ( -3.346 4.943 0.000) 5.969 2.637 ( 3.346 4.943 0.000) 5.969 2.691 ( -8.324 8.597 0.000) 11.967 2.691 ( 8.324 8.597 0.000) 11.967 2.775 ( -1.378 5.100 0.000) 5.283 2.775 ( 1.378 5.100 0.000) 5.283 2.882 ( -2.633 8.112 0.000) 8.528 2.882 ( 2.633 8.112 0.000) 8.528 2.933 ( -5.533 1.775 0.000) 5.811 2.933 ( 5.533 1.775 0.000) 5.811 2.995 ( -3.925 1.537 0.000) 4.215 2.995 ( 3.925 1.537 0.000) 4.215 3.064 ( -1.976 5.024 0.000) 5.398 3.064 ( 1.976 5.024 0.000) 5.398 3.137 ( -3.667 3.359 0.000) 4.973 3.137 ( 3.667 3.359 0.000) 4.973 3.266 ( -1.699 2.396 0.000) 2.938 3.266 ( 1.699 2.396 0.000) 2.938 3.329 ( -2.416 -1.901 0.000) 3.074 3.329 ( 2.416 -1.901 0.000) 3.074 3.463 ( -1.867 5.227 0.000) 5.551 3.463 ( 1.867 5.227 0.000) 5.551 3.593 ( -4.278 -0.275 0.000) 4.287 3.593 ( 4.278 -0.275 0.000) 4.287 3.685 ( -0.464 3.201 0.000) 3.235 3.685 ( 0.464 3.201 0.000) 3.235 3.754 ( -7.015 0.321 0.000) 7.023 3.754 ( 7.015 0.321 0.000) 7.023 3.824 ( -1.971 -0.957 0.000) 2.191 3.824 ( 1.971 -0.957 0.000) 2.191 3.940 ( -4.018 -2.887 0.000) 4.948 3.940 ( 4.018 -2.887 0.000) 4.948 4.005 ( -6.038 -4.872 0.000) 7.758 4.005 ( 6.038 -4.872 0.000) 7.758 4.081 ( -4.877 -3.144 0.000) 5.802 4.081 ( 4.877 -3.144 0.000) 5.802 4.145 ( -4.859 -0.407 0.000) 4.876 4.145 ( 4.859 -0.407 0.000) 4.876 4.213 ( -5.059 -0.572 0.000) 5.091 4.213 ( 5.059 -0.572 0.000) 5.091 4.379 ( -2.995 -2.382 0.000) 3.826 4.379 ( 2.995 -2.382 0.000) 3.826 4.435 ( -2.733 -2.754 0.000) 3.880 4.435 ( 2.733 -2.754 0.000) 3.880 4.584 ( -3.245 -1.121 0.000) 3.433 4.584 ( 3.245 -1.121 0.000) 3.433 4.727 ( -2.721 0.744 0.000) 2.821 4.727 ( 2.721 0.744 0.000) 2.821 4.778 ( -0.503 -0.365 0.000) 0.621 4.778 ( 0.503 -0.365 0.000) 0.621 4.870 ( -4.865 5.249 0.000) 7.156 4.870 ( 4.865 5.249 0.000) 7.156 4.897 ( -6.205 2.464 0.000) 6.676 4.897 ( 6.205 2.464 0.000) 6.676 4.935 ( -0.120 -4.264 0.000) 4.266 4.935 ( 0.120 -4.264 0.000) 4.266 5.079 ( -6.124 1.497 0.000) 6.304 5.079 ( 6.124 1.497 0.000) 6.304 5.177 ( -1.629 -9.167 0.000) 9.311 5.177 ( 1.629 -9.167 0.000) 9.311 5.218 ( -4.515 3.858 0.000) 5.938 5.218 ( 4.515 3.858 0.000) 5.938 5.321 ( -7.143 -4.632 0.000) 8.514 5.321 ( 7.143 -4.632 0.000) 8.514 5.486 ( -1.105 -4.296 0.000) 4.436 5.486 ( 1.105 -4.296 0.000) 4.436 5.645 ( -0.181 -3.973 0.000) 3.977 5.645 ( 0.181 -3.973 0.000) 3.977 5.684 ( -2.545 0.736 0.000) 2.649 5.684 ( 2.545 0.736 0.000) 2.649 5.891 ( -1.274 -4.384 0.000) 4.566 5.891 ( 1.274 -4.384 0.000) 4.566 6.004 ( -4.462 -0.464 0.000) 4.486 6.004 ( 4.462 -0.464 0.000) 4.486 6.281 ( -0.739 -1.513 0.000) 1.684 6.281 ( 0.739 -1.513 0.000) 1.684 6.434 ( -2.682 -0.809 0.000) 2.802 6.434 ( 2.682 -0.809 0.000) 2.802 7.048 ( -1.966 1.941 0.000) 2.763 7.048 ( 1.966 1.941 0.000) 2.763 7.151 ( -2.850 -0.651 0.000) 2.924 7.151 ( 2.850 -0.651 0.000) 2.924 7.217 ( -0.225 -0.561 0.000) 0.604 7.217 ( 0.225 -0.561 0.000) 0.604 7.337 ( -0.012 -0.199 0.000) 0.199 7.337 ( 0.012 -0.199 0.000) 0.199 8.099 ( -1.346 5.319 0.000) 5.486 8.099 ( 1.346 5.319 0.000) 5.486 8.202 ( -0.611 5.545 0.000) 5.579 8.202 ( 0.611 5.545 0.000) 5.579 8.499 ( -7.903 -3.063 0.000) 8.476 8.499 ( 7.903 -3.063 0.000) 8.476 8.566 ( -4.527 2.332 0.000) 5.092 8.566 ( 4.527 2.332 0.000) 5.092 8.825 ( -1.973 3.186 0.000) 3.748 8.825 ( 1.973 3.186 0.000) 3.748 9.000 ( -12.223 3.325 0.000) 12.667 9.000 ( 12.223 3.325 0.000) 12.667 9.329 ( -0.443 -2.970 0.000) 3.003 9.329 ( 0.443 -2.970 0.000) 3.003 9.404 ( -1.327 0.269 0.000) 1.354 9.404 ( 1.327 0.269 0.000) 1.354 9.555 ( -5.609 -3.526 0.000) 6.625 9.555 ( 5.609 -3.526 0.000) 6.625 9.824 ( -3.555 -2.022 0.000) 4.089 9.824 ( 3.555 -2.022 0.000) 4.089 9.962 ( -8.288 -12.392 0.000) 14.908 9.962 ( 8.288 -12.392 0.000) 14.908 10.099 ( -8.964 -8.448 0.000) 12.317 10.099 ( 8.964 -8.448 0.000) 12.317 10.205 ( -1.389 1.607 0.000) 2.124 10.205 ( 1.389 1.607 0.000) 2.124 10.545 ( -0.380 -5.632 0.000) 5.645 10.545 ( 0.380 -5.632 0.000) 5.645 10.611 ( -6.716 -9.320 0.000) 11.488 10.611 ( 6.716 -9.320 0.000) 11.488 11.159 ( -0.949 7.634 0.000) 7.693 11.159 ( 0.949 7.634 0.000) 7.693 11.404 ( -1.494 -3.402 0.000) 3.715 11.404 ( 1.494 -3.402 0.000) 3.715 11.490 ( -2.810 -10.568 0.000) 10.935 11.490 ( 2.810 -10.568 0.000) 10.935 11.897 ( -13.980 7.637 0.000) 15.930 11.897 ( 13.980 7.637 0.000) 15.930 12.315 ( -6.763 8.568 0.000) 10.916 12.315 ( 6.763 8.568 0.000) 10.916 12.425 ( -4.597 -1.166 0.000) 4.742 12.425 ( 4.597 -1.166 0.000) 4.742 12.677 ( -6.457 7.594 0.000) 9.968 12.677 ( 6.457 7.594 0.000) 9.968 13.076 ( -0.159 -2.711 0.000) 2.716 13.076 ( 0.159 -2.711 0.000) 2.716 13.184 ( -5.704 -2.449 0.000) 6.208 13.184 ( 5.704 -2.449 0.000) 6.208 16.603 ( -5.183 0.157 0.000) 5.185 16.603 ( 5.183 0.157 0.000) 5.185 16.752 ( -5.203 -2.237 0.000) 5.663 16.752 ( 5.203 -2.237 0.000) 5.663 16.947 ( -0.901 0.343 0.000) 0.965 16.947 ( 0.901 0.343 0.000) 0.965 17.041 ( -2.902 4.002 0.000) 4.943 17.041 ( 2.902 4.002 0.000) 4.943 17.315 ( -1.772 -4.573 0.000) 4.904 17.315 ( 1.772 -4.573 0.000) 4.904 17.616 ( -1.308 -6.705 0.000) 6.831 17.616 ( 1.308 -6.705 0.000) 6.831 18.936 ( -2.142 -0.606 0.000) 2.226 18.936 ( 2.142 -0.606 0.000) 2.226 19.036 ( -1.694 -0.803 0.000) 1.875 19.036 ( 1.694 -0.803 0.000) 1.875 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 16.101 0.000) 16.101 1.436 ( 0.000 15.937 0.000) 15.937 1.630 ( 0.000 1.408 0.000) 1.408 1.835 ( 0.000 -0.477 0.000) 0.477 1.894 ( 0.000 1.464 0.000) 1.464 2.111 ( 0.000 2.755 0.000) 2.755 2.142 ( 0.000 1.943 0.000) 1.943 2.142 ( 0.000 3.865 0.000) 3.865 2.225 ( 0.000 -3.913 0.000) 3.913 2.240 ( 0.000 1.129 0.000) 1.129 2.393 ( 0.000 7.950 0.000) 7.950 2.413 ( 0.000 -3.360 0.000) 3.360 2.424 ( 0.000 11.548 0.000) 11.548 2.490 ( 0.000 10.849 0.000) 10.849 2.498 ( 0.000 4.756 0.000) 4.756 2.515 ( 0.000 13.954 0.000) 13.954 2.531 ( 0.000 6.086 0.000) 6.086 2.662 ( 0.000 9.494 0.000) 9.494 2.743 ( 0.000 -0.426 0.000) 0.426 2.798 ( 0.000 -3.943 0.000) 3.943 2.814 ( 0.000 2.333 0.000) 2.333 2.833 ( 0.000 -1.783 0.000) 1.783 2.844 ( 0.000 20.701 0.000) 20.701 2.883 ( 0.000 -4.425 0.000) 4.425 2.923 ( 0.000 1.190 0.000) 1.190 2.930 ( 0.000 9.206 0.000) 9.206 2.951 ( 0.000 16.151 0.000) 16.151 2.977 ( 0.000 -7.936 0.000) 7.936 2.993 ( 0.000 6.565 0.000) 6.565 3.013 ( 0.000 2.381 0.000) 2.381 3.071 ( 0.000 -4.969 0.000) 4.969 3.148 ( 0.000 18.310 0.000) 18.310 3.157 ( 0.000 -2.209 0.000) 2.209 3.233 ( 0.000 4.336 0.000) 4.336 3.252 ( 0.000 0.173 0.000) 0.173 3.336 ( 0.000 5.311 0.000) 5.311 3.349 ( 0.000 12.109 0.000) 12.109 3.385 ( 0.000 -9.038 0.000) 9.038 3.389 ( 0.000 8.395 0.000) 8.395 3.488 ( 0.000 -5.296 0.000) 5.296 3.522 ( 0.000 6.598 0.000) 6.598 3.554 ( 0.000 2.733 0.000) 2.733 3.640 ( 0.000 4.919 0.000) 4.919 3.666 ( 0.000 -3.086 0.000) 3.086 3.767 ( 0.000 13.288 0.000) 13.288 3.785 ( 0.000 9.052 0.000) 9.052 3.813 ( 0.000 -8.424 0.000) 8.424 3.890 ( 0.000 3.229 0.000) 3.229 3.910 ( 0.000 -0.663 0.000) 0.663 3.914 ( 0.000 0.262 0.000) 0.262 4.023 ( 0.000 -7.024 0.000) 7.024 4.049 ( 0.000 -3.056 0.000) 3.056 4.135 ( 0.000 4.082 0.000) 4.082 4.168 ( 0.000 -6.312 0.000) 6.312 4.197 ( 0.000 9.068 0.000) 9.068 4.212 ( 0.000 -9.907 0.000) 9.907 4.308 ( 0.000 6.240 0.000) 6.240 4.309 ( 0.000 -4.494 0.000) 4.494 4.325 ( 0.000 -4.457 0.000) 4.457 4.403 ( 0.000 -10.890 0.000) 10.890 4.438 ( 0.000 10.933 0.000) 10.933 4.458 ( 0.000 0.976 0.000) 0.976 4.478 ( 0.000 -1.699 0.000) 1.699 4.520 ( 0.000 -7.511 0.000) 7.511 4.592 ( 0.000 2.421 0.000) 2.421 4.608 ( 0.000 -4.691 0.000) 4.691 4.651 ( 0.000 7.816 0.000) 7.816 4.662 ( 0.000 1.251 0.000) 1.251 4.720 ( 0.000 10.987 0.000) 10.987 4.721 ( 0.000 -13.990 0.000) 13.990 4.872 ( 0.000 -4.817 0.000) 4.817 4.897 ( 0.000 -4.986 0.000) 4.986 4.961 ( 0.000 -11.915 0.000) 11.915 4.990 ( 0.000 -4.360 0.000) 4.360 5.071 ( 0.000 2.942 0.000) 2.942 5.107 ( 0.000 -0.116 0.000) 0.116 5.108 ( 0.000 2.350 0.000) 2.350 5.228 ( 0.000 -3.445 0.000) 3.445 5.284 ( 0.000 -1.132 0.000) 1.132 5.303 ( 0.000 -1.290 0.000) 1.290 5.377 ( 0.000 0.811 0.000) 0.811 5.406 ( 0.000 -3.804 0.000) 3.804 5.451 ( 0.000 -2.824 0.000) 2.824 5.482 ( 0.000 -1.494 0.000) 1.494 5.517 ( 0.000 -7.502 0.000) 7.502 5.532 ( 0.000 -1.142 0.000) 1.142 5.538 ( 0.000 1.578 0.000) 1.578 5.679 ( 0.000 -6.929 0.000) 6.929 5.798 ( 0.000 3.257 0.000) 3.257 5.914 ( 0.000 -0.809 0.000) 0.809 6.013 ( 0.000 1.172 0.000) 1.172 6.055 ( 0.000 -0.985 0.000) 0.985 6.146 ( 0.000 0.167 0.000) 0.167 6.253 ( 0.000 -3.410 0.000) 3.410 6.409 ( 0.000 -0.859 0.000) 0.859 6.413 ( 0.000 -3.442 0.000) 3.442 7.081 ( 0.000 -1.109 0.000) 1.109 7.084 ( 0.000 5.245 0.000) 5.245 7.125 ( 0.000 -2.219 0.000) 2.219 7.179 ( 0.000 -2.136 0.000) 2.136 7.198 ( 0.000 -2.561 0.000) 2.561 7.214 ( 0.000 -0.680 0.000) 0.680 7.256 ( 0.000 2.497 0.000) 2.497 7.297 ( 0.000 -0.473 0.000) 0.473 8.038 ( 0.000 7.364 0.000) 7.364 8.115 ( 0.000 5.275 0.000) 5.275 8.261 ( 0.000 -1.703 0.000) 1.703 8.308 ( 0.000 4.272 0.000) 4.272 8.315 ( 0.000 5.339 0.000) 5.339 8.384 ( 0.000 -7.971 0.000) 7.971 8.486 ( 0.000 5.121 0.000) 5.121 8.601 ( 0.000 -2.836 0.000) 2.836 8.964 ( 0.000 12.027 0.000) 12.027 8.967 ( 0.000 3.767 0.000) 3.767 9.005 ( 0.000 5.070 0.000) 5.070 9.198 ( 0.000 -3.706 0.000) 3.706 9.271 ( 0.000 -1.623 0.000) 1.623 9.322 ( 0.000 -0.287 0.000) 0.287 9.422 ( 0.000 0.761 0.000) 0.761 9.471 ( 0.000 -2.110 0.000) 2.110 9.587 ( 0.000 -7.890 0.000) 7.890 9.607 ( 0.000 -8.046 0.000) 8.046 9.735 ( 0.000 -0.764 0.000) 0.764 9.744 ( 0.000 0.524 0.000) 0.524 9.800 ( 0.000 -1.069 0.000) 1.069 9.828 ( 0.000 -5.349 0.000) 5.349 9.923 ( 0.000 -6.691 0.000) 6.691 10.021 ( 0.000 -11.303 0.000) 11.303 10.098 ( 0.000 1.719 0.000) 1.719 10.217 ( 0.000 -2.854 0.000) 2.854 10.398 ( 0.000 5.791 0.000) 5.791 10.452 ( 0.000 1.868 0.000) 1.868 10.520 ( 0.000 -3.989 0.000) 3.989 10.776 ( 0.000 -5.124 0.000) 5.124 10.909 ( 0.000 4.911 0.000) 4.911 11.022 ( 0.000 9.722 0.000) 9.722 11.373 ( 0.000 -9.662 0.000) 9.662 11.411 ( 0.000 1.689 0.000) 1.689 11.421 ( 0.000 -12.718 0.000) 12.718 11.537 ( 0.000 6.290 0.000) 6.290 11.733 ( 0.000 -10.821 0.000) 10.821 11.786 ( 0.000 -9.464 0.000) 9.464 12.310 ( 0.000 8.452 0.000) 8.452 12.397 ( 0.000 2.145 0.000) 2.145 12.429 ( 0.000 0.057 0.000) 0.057 12.723 ( 0.000 -12.489 0.000) 12.489 12.795 ( 0.000 3.718 0.000) 3.718 12.813 ( 0.000 11.864 0.000) 11.864 12.954 ( 0.000 -5.991 0.000) 5.991 13.006 ( 0.000 1.950 0.000) 1.950 13.192 ( 0.000 10.145 0.000) 10.145 13.428 ( 0.000 -2.926 0.000) 2.926 16.486 ( 0.000 4.505 0.000) 4.505 16.581 ( 0.000 4.298 0.000) 4.298 16.677 ( 0.000 -4.613 0.000) 4.613 16.774 ( 0.000 -4.899 0.000) 4.899 16.941 ( 0.000 -0.082 0.000) 0.082 16.946 ( 0.000 -0.967 0.000) 0.967 17.121 ( 0.000 -0.105 0.000) 0.105 17.171 ( 0.000 10.681 0.000) 10.681 17.173 ( 0.000 1.795 0.000) 1.795 17.242 ( 0.000 1.827 0.000) 1.827 17.574 ( 0.000 -11.641 0.000) 11.641 17.595 ( 0.000 -11.002 0.000) 11.002 18.870 ( 0.000 0.963 0.000) 0.963 18.929 ( 0.000 -2.196 0.000) 2.196 19.005 ( 0.000 0.557 0.000) 0.557 19.051 ( 0.000 -1.726 0.000) 1.726 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 3.740 9.846 0.000) 10.532 1.541 ( 6.420 5.095 0.000) 8.197 1.658 ( 6.386 9.205 0.000) 11.203 1.859 ( 1.526 3.794 0.000) 4.089 1.942 ( 2.949 2.758 0.000) 4.038 1.995 ( -2.000 4.612 0.000) 5.027 2.013 ( -8.801 2.256 0.000) 9.085 2.147 ( -2.830 4.242 0.000) 5.099 2.183 ( 0.158 0.542 0.000) 0.564 2.206 ( -3.238 0.936 0.000) 3.370 2.307 ( -5.385 0.481 0.000) 5.407 2.343 ( -7.348 9.123 0.000) 11.714 2.401 ( -3.714 5.938 0.000) 7.004 2.461 ( -1.372 6.911 0.000) 7.046 2.526 ( -3.881 2.766 0.000) 4.766 2.563 ( -3.510 3.932 0.000) 5.271 2.594 ( 0.200 8.713 0.000) 8.716 2.618 ( 4.279 8.594 0.000) 9.601 2.699 ( -1.377 4.370 0.000) 4.582 2.749 ( 0.104 8.552 0.000) 8.553 2.769 ( 3.115 0.199 0.000) 3.122 2.794 ( -5.154 9.306 0.000) 10.638 2.858 ( -3.580 6.008 0.000) 6.994 2.864 ( 3.832 0.234 0.000) 3.839 2.915 ( 2.807 3.794 0.000) 4.719 2.938 ( 2.735 1.255 0.000) 3.009 3.013 ( 1.558 5.103 0.000) 5.335 3.060 ( 6.653 1.664 0.000) 6.858 3.069 ( 4.059 4.830 0.000) 6.309 3.110 ( -3.808 1.418 0.000) 4.063 3.129 ( 6.580 -1.935 0.000) 6.859 3.137 ( 3.683 1.320 0.000) 3.912 3.218 ( -1.017 2.099 0.000) 2.333 3.221 ( 1.105 8.479 0.000) 8.550 3.259 ( -0.476 6.135 0.000) 6.154 3.337 ( 0.841 7.353 0.000) 7.401 3.342 ( 1.990 3.217 0.000) 3.783 3.347 ( 0.899 11.919 0.000) 11.953 3.479 ( 3.790 1.009 0.000) 3.922 3.519 ( 3.271 -2.099 0.000) 3.886 3.608 ( 6.136 2.863 0.000) 6.771 3.616 ( 2.993 7.050 0.000) 7.659 3.646 ( 0.509 -2.840 0.000) 2.885 3.673 ( -3.402 -1.100 0.000) 3.575 3.734 ( -1.333 5.561 0.000) 5.718 3.781 ( 0.899 0.418 0.000) 0.992 3.790 ( -1.156 9.044 0.000) 9.118 3.823 ( 1.719 3.271 0.000) 3.695 3.895 ( -2.274 -4.279 0.000) 4.846 3.953 ( -3.411 2.136 0.000) 4.025 3.980 ( 0.561 -9.625 0.000) 9.641 4.041 ( -2.156 -1.038 0.000) 2.393 4.068 ( -2.689 4.498 0.000) 5.241 4.091 ( -4.363 0.768 0.000) 4.431 4.189 ( -8.222 0.440 0.000) 8.234 4.190 ( -3.066 -10.048 0.000) 10.506 4.251 ( 2.604 -3.094 0.000) 4.044 4.317 ( 1.927 -0.341 0.000) 1.957 4.345 ( -6.121 3.731 0.000) 7.168 4.348 ( -1.833 -1.214 0.000) 2.199 4.453 ( -2.748 6.348 0.000) 6.917 4.462 ( 1.027 -0.518 0.000) 1.150 4.530 ( -1.448 -4.177 0.000) 4.421 4.543 ( 3.390 -2.208 0.000) 4.046 4.625 ( 0.273 1.327 0.000) 1.354 4.636 ( 5.860 -9.105 0.000) 10.827 4.653 ( -3.525 -12.770 0.000) 13.247 4.659 ( 4.691 -1.256 0.000) 4.856 4.671 ( 2.109 -1.934 0.000) 2.861 4.727 ( 4.357 5.843 0.000) 7.289 4.881 ( -3.851 -5.475 0.000) 6.693 4.888 ( 3.144 0.972 0.000) 3.290 4.995 ( 4.775 -1.441 0.000) 4.988 5.015 ( -1.206 -6.113 0.000) 6.231 5.036 ( 2.757 -2.154 0.000) 3.499 5.098 ( -0.547 1.403 0.000) 1.506 5.137 ( -6.100 -4.511 0.000) 7.587 5.178 ( -3.769 0.508 0.000) 3.804 5.253 ( 0.940 1.142 0.000) 1.479 5.278 ( -2.425 4.149 0.000) 4.806 5.310 ( -2.085 -3.297 0.000) 3.901 5.343 ( -2.240 -2.618 0.000) 3.445 5.478 ( -1.844 -1.507 0.000) 2.381 5.509 ( 0.542 -5.892 0.000) 5.917 5.556 ( -1.149 -2.799 0.000) 3.026 5.597 ( -0.584 -1.557 0.000) 1.663 5.619 ( -1.842 -1.395 0.000) 2.311 5.631 ( 6.581 -0.331 0.000) 6.589 5.756 ( 2.258 1.094 0.000) 2.509 5.906 ( -8.199 -1.537 0.000) 8.342 5.968 ( -1.584 -0.616 0.000) 1.700 5.970 ( 2.855 -3.128 0.000) 4.235 6.236 ( 3.999 -0.281 0.000) 4.009 6.261 ( -0.307 -2.032 0.000) 2.055 6.396 ( -0.923 -0.768 0.000) 1.201 6.416 ( 0.281 -2.761 0.000) 2.775 7.086 ( 0.033 -0.467 0.000) 0.468 7.098 ( -0.315 4.024 0.000) 4.037 7.103 ( 0.239 -0.406 0.000) 0.471 7.177 ( -1.469 -1.987 0.000) 2.471 7.188 ( 0.711 -2.016 0.000) 2.137 7.207 ( -0.529 -0.300 0.000) 0.607 7.304 ( 2.881 0.823 0.000) 2.996 7.317 ( 1.509 -0.158 0.000) 1.517 8.112 ( 5.102 5.597 0.000) 7.574 8.186 ( 4.142 4.850 0.000) 6.378 8.266 ( 0.516 -0.303 0.000) 0.598 8.297 ( -0.704 3.059 0.000) 3.139 8.332 ( 2.688 3.045 0.000) 4.062 8.424 ( 2.815 -5.122 0.000) 5.845 8.534 ( 4.035 3.320 0.000) 5.225 8.643 ( 2.693 -1.709 0.000) 3.190 8.912 ( -2.966 5.715 0.000) 6.439 8.951 ( -4.129 4.525 0.000) 6.125 8.965 ( -0.246 6.761 0.000) 6.766 9.184 ( -2.573 -3.765 0.000) 4.560 9.280 ( 0.420 -1.993 0.000) 2.036 9.338 ( -0.697 -1.547 0.000) 1.697 9.396 ( -2.316 1.473 0.000) 2.745 9.440 ( -1.551 -1.107 0.000) 1.905 9.467 ( -5.247 -4.394 0.000) 6.844 9.566 ( -3.865 -7.854 0.000) 8.753 9.725 ( -0.998 0.074 0.000) 1.001 9.747 ( 1.152 0.858 0.000) 1.436 9.781 ( 4.188 -2.605 0.000) 4.932 9.868 ( -2.547 -4.459 0.000) 5.135 9.948 ( -1.101 -8.989 0.000) 9.056 9.981 ( -0.382 -8.841 0.000) 8.850 10.153 ( 3.446 0.084 0.000) 3.447 10.216 ( 0.075 -1.720 0.000) 1.721 10.408 ( 1.842 1.201 0.000) 2.199 10.492 ( 2.441 0.571 0.000) 2.507 10.576 ( 1.602 0.978 0.000) 1.877 10.646 ( -7.059 -2.048 0.000) 7.350 11.018 ( 3.513 3.548 0.000) 4.993 11.090 ( 11.013 1.928 0.000) 11.180 11.330 ( -2.242 -5.976 0.000) 6.383 11.358 ( -1.588 -7.116 0.000) 7.291 11.498 ( -6.283 -1.603 0.000) 6.484 11.508 ( 0.160 1.124 0.000) 1.136 11.747 ( 5.999 -0.663 0.000) 6.035 11.908 ( 9.853 -11.293 0.000) 14.988 12.341 ( 2.994 4.599 0.000) 5.487 12.388 ( -5.691 3.879 0.000) 6.887 12.429 ( 0.392 -1.133 0.000) 1.199 12.621 ( -10.356 0.049 0.000) 10.356 12.718 ( -1.503 4.027 0.000) 4.298 12.792 ( 3.388 -3.834 0.000) 5.117 13.046 ( 4.353 -0.400 0.000) 4.372 13.064 ( 2.852 1.905 0.000) 3.430 13.125 ( -4.859 8.385 0.000) 9.691 13.327 ( -8.121 -2.247 0.000) 8.427 16.531 ( 3.269 2.770 0.000) 4.285 16.629 ( 4.095 2.577 0.000) 4.839 16.658 ( -1.767 -2.994 0.000) 3.477 16.766 ( -0.928 -3.943 0.000) 4.050 16.939 ( -0.036 -0.154 0.000) 0.159 16.946 ( 0.072 -0.835 0.000) 0.838 17.144 ( 0.063 5.727 0.000) 5.727 17.181 ( 2.776 2.750 0.000) 3.907 17.181 ( -0.443 4.932 0.000) 4.951 17.232 ( 0.369 -1.510 0.000) 1.554 17.525 ( -3.801 -10.429 0.000) 11.100 17.539 ( -4.435 -9.600 0.000) 10.575 18.891 ( 1.632 0.506 0.000) 1.709 18.932 ( 0.120 -1.711 0.000) 1.716 19.007 ( 0.275 0.203 0.000) 0.342 19.041 ( -0.867 -1.479 0.000) 1.714 ======================= Grid point 17 (12/45) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -1.764 1.070 0.000) 2.063 1.549 ( 1.764 1.070 0.000) 2.063 1.875 ( -0.244 3.344 0.000) 3.353 1.875 ( 0.244 3.344 0.000) 3.353 1.946 ( -7.849 10.484 0.000) 13.097 1.946 ( 7.849 10.484 0.000) 13.097 2.046 ( -6.416 7.944 0.000) 10.211 2.046 ( 6.416 7.944 0.000) 10.211 2.166 ( -0.143 -0.835 0.000) 0.847 2.166 ( 0.143 -0.835 0.000) 0.847 2.241 ( -2.589 7.134 0.000) 7.589 2.241 ( 2.589 7.134 0.000) 7.589 2.332 ( -5.819 7.688 0.000) 9.642 2.332 ( 5.819 7.688 0.000) 9.642 2.514 ( -2.154 0.990 0.000) 2.370 2.514 ( 2.154 0.990 0.000) 2.370 2.592 ( -1.188 0.975 0.000) 1.537 2.592 ( 1.188 0.975 0.000) 1.537 2.768 ( -3.277 6.606 0.000) 7.374 2.768 ( 3.277 6.606 0.000) 7.374 2.792 ( -0.216 2.766 0.000) 2.774 2.792 ( 0.216 2.766 0.000) 2.774 2.856 ( -3.207 3.738 0.000) 4.926 2.856 ( 3.207 3.738 0.000) 4.926 2.984 ( -2.962 4.912 0.000) 5.736 2.984 ( 2.962 4.912 0.000) 5.736 3.043 ( -3.286 4.135 0.000) 5.282 3.043 ( 3.286 4.135 0.000) 5.282 3.114 ( -1.508 7.272 0.000) 7.427 3.114 ( 1.508 7.272 0.000) 7.427 3.179 ( -1.537 -0.059 0.000) 1.538 3.179 ( 1.537 -0.059 0.000) 1.538 3.212 ( -1.060 4.367 0.000) 4.494 3.212 ( 1.060 4.367 0.000) 4.494 3.339 ( -2.676 4.831 0.000) 5.522 3.339 ( 2.676 4.831 0.000) 5.522 3.358 ( -0.334 13.404 0.000) 13.409 3.358 ( 0.334 13.404 0.000) 13.409 3.545 ( -2.463 0.464 0.000) 2.506 3.545 ( 2.463 0.464 0.000) 2.506 3.607 ( -3.403 4.309 0.000) 5.490 3.607 ( 3.403 4.309 0.000) 5.490 3.700 ( -3.195 -1.832 0.000) 3.683 3.700 ( 3.195 -1.832 0.000) 3.683 3.785 ( -1.386 4.589 0.000) 4.793 3.785 ( 1.386 4.589 0.000) 4.793 3.795 ( -0.416 -3.078 0.000) 3.106 3.795 ( 0.416 -3.078 0.000) 3.106 3.930 ( -3.982 -2.517 0.000) 4.711 3.930 ( 3.982 -2.517 0.000) 4.711 3.943 ( -7.046 2.162 0.000) 7.370 3.943 ( 7.046 2.162 0.000) 7.370 4.035 ( -2.601 -4.024 0.000) 4.791 4.035 ( 2.601 -4.024 0.000) 4.791 4.133 ( -3.067 -0.454 0.000) 3.100 4.133 ( 3.067 -0.454 0.000) 3.100 4.217 ( -4.276 3.677 0.000) 5.639 4.217 ( 4.276 3.677 0.000) 5.639 4.357 ( -3.595 -0.234 0.000) 3.603 4.357 ( 3.595 -0.234 0.000) 3.603 4.420 ( -3.718 0.460 0.000) 3.747 4.420 ( 3.718 0.460 0.000) 3.747 4.531 ( -2.041 -4.331 0.000) 4.788 4.531 ( 2.041 -4.331 0.000) 4.788 4.653 ( -2.766 -9.074 0.000) 9.486 4.653 ( 2.766 -9.074 0.000) 9.486 4.707 ( -1.910 -4.370 0.000) 4.770 4.707 ( 1.910 -4.370 0.000) 4.770 4.827 ( -6.236 -9.351 0.000) 11.240 4.827 ( 6.236 -9.351 0.000) 11.240 4.878 ( -3.960 -0.212 0.000) 3.966 4.878 ( 3.960 -0.212 0.000) 3.966 4.981 ( -1.634 0.373 0.000) 1.676 4.981 ( 1.634 0.373 0.000) 1.676 5.072 ( -3.865 4.722 0.000) 6.102 5.072 ( 3.865 4.722 0.000) 6.102 5.156 ( -4.821 0.287 0.000) 4.830 5.156 ( 4.821 0.287 0.000) 4.830 5.193 ( -0.360 -1.272 0.000) 1.322 5.193 ( 0.360 -1.272 0.000) 1.322 5.311 ( -1.232 2.870 0.000) 3.123 5.311 ( 1.232 2.870 0.000) 3.123 5.449 ( -1.806 0.274 0.000) 1.826 5.449 ( 1.806 0.274 0.000) 1.826 5.522 ( -1.714 -7.292 0.000) 7.490 5.522 ( 1.714 -7.292 0.000) 7.490 5.723 ( -3.737 1.827 0.000) 4.160 5.723 ( 3.737 1.827 0.000) 4.160 5.788 ( -1.001 -5.331 0.000) 5.425 5.788 ( 1.001 -5.331 0.000) 5.425 5.982 ( -1.640 -1.915 0.000) 2.521 5.982 ( 1.640 -1.915 0.000) 2.521 6.263 ( -0.865 -0.298 0.000) 0.915 6.263 ( 0.865 -0.298 0.000) 0.915 6.405 ( -1.436 -1.855 0.000) 2.346 6.405 ( 1.436 -1.855 0.000) 2.346 7.081 ( -0.021 1.198 0.000) 1.198 7.081 ( 0.021 1.198 0.000) 1.198 7.139 ( -1.879 -0.575 0.000) 1.965 7.139 ( 1.879 -0.575 0.000) 1.965 7.200 ( -0.330 -0.808 0.000) 0.873 7.200 ( 0.330 -0.808 0.000) 0.873 7.339 ( -0.080 0.410 0.000) 0.418 7.339 ( 0.080 0.410 0.000) 0.418 8.196 ( -2.252 4.453 0.000) 4.990 8.196 ( 2.252 4.453 0.000) 4.990 8.283 ( -0.647 2.463 0.000) 2.547 8.283 ( 0.647 2.463 0.000) 2.547 8.435 ( -3.560 -2.800 0.000) 4.529 8.435 ( 3.560 -2.800 0.000) 4.529 8.631 ( -3.970 3.362 0.000) 5.202 8.631 ( 3.970 3.362 0.000) 5.202 8.885 ( -0.872 2.668 0.000) 2.807 8.885 ( 0.872 2.668 0.000) 2.807 9.037 ( -7.856 0.663 0.000) 7.884 9.037 ( 7.856 0.663 0.000) 7.884 9.284 ( -0.615 -1.545 0.000) 1.662 9.284 ( 0.615 -1.545 0.000) 1.662 9.414 ( -1.355 0.517 0.000) 1.450 9.414 ( 1.355 0.517 0.000) 1.450 9.471 ( -3.381 -5.114 0.000) 6.130 9.471 ( 3.381 -5.114 0.000) 6.130 9.738 ( -1.738 -3.359 0.000) 3.782 9.738 ( 1.738 -3.359 0.000) 3.782 9.855 ( -4.182 -1.422 0.000) 4.417 9.855 ( 4.182 -1.422 0.000) 4.417 9.933 ( -5.205 -7.286 0.000) 8.955 9.933 ( 5.205 -7.286 0.000) 8.955 10.208 ( -1.333 -1.174 0.000) 1.776 10.208 ( 1.333 -1.174 0.000) 1.776 10.483 ( -4.325 -3.821 0.000) 5.771 10.483 ( 4.325 -3.821 0.000) 5.771 10.563 ( -0.878 5.841 0.000) 5.906 10.563 ( 0.878 5.841 0.000) 5.906 11.202 ( -9.713 -9.744 0.000) 13.758 11.202 ( 9.713 -9.744 0.000) 13.758 11.286 ( -2.605 -2.634 0.000) 3.704 11.286 ( 2.605 -2.634 0.000) 3.704 11.440 ( -3.625 6.286 0.000) 7.256 11.440 ( 3.625 6.286 0.000) 7.256 11.967 ( -9.645 -1.343 0.000) 9.738 11.967 ( 9.645 -1.343 0.000) 9.738 12.336 ( -7.056 -1.582 0.000) 7.232 12.336 ( 7.056 -1.582 0.000) 7.232 12.430 ( -5.176 -0.125 0.000) 5.177 12.430 ( 5.176 -0.125 0.000) 5.177 12.799 ( -5.382 4.718 0.000) 7.157 12.799 ( 5.382 4.718 0.000) 7.157 13.075 ( -2.177 1.744 0.000) 2.789 13.075 ( 2.177 1.744 0.000) 2.789 13.150 ( -5.704 -1.058 0.000) 5.801 13.150 ( 5.704 -1.058 0.000) 5.801 16.603 ( -3.143 0.085 0.000) 3.144 16.603 ( 3.143 0.085 0.000) 3.144 16.721 ( -3.431 -1.250 0.000) 3.652 16.721 ( 3.431 -1.250 0.000) 3.652 16.944 ( -0.343 -0.246 0.000) 0.422 16.944 ( 0.343 -0.246 0.000) 0.422 17.149 ( -1.264 6.752 0.000) 6.869 17.149 ( 1.264 6.752 0.000) 6.869 17.246 ( -1.213 -2.356 0.000) 2.650 17.246 ( 1.213 -2.356 0.000) 2.650 17.466 ( -0.245 -8.508 0.000) 8.511 17.466 ( 0.245 -8.508 0.000) 8.511 18.924 ( -1.039 -0.567 0.000) 1.183 18.924 ( 1.039 -0.567 0.000) 1.183 19.020 ( -0.900 -0.720 0.000) 1.152 19.020 ( 0.900 -0.720 0.000) 1.152 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 -1.194 0.000) 1.194 1.556 ( 0.000 1.194 0.000) 1.194 1.764 ( 0.000 -8.809 0.000) 8.809 1.764 ( 0.000 8.809 0.000) 8.809 2.022 ( 0.000 -12.261 0.000) 12.261 2.022 ( 0.000 12.261 0.000) 12.261 2.154 ( 0.000 -1.806 0.000) 1.806 2.154 ( 0.000 1.806 0.000) 1.806 2.211 ( 0.000 -3.050 0.000) 3.050 2.211 ( 0.000 3.050 0.000) 3.050 2.452 ( 0.000 -4.008 0.000) 4.008 2.452 ( 0.000 4.008 0.000) 4.008 2.563 ( 0.000 -2.957 0.000) 2.957 2.563 ( 0.000 2.957 0.000) 2.957 2.610 ( 0.000 -9.817 0.000) 9.817 2.610 ( 0.000 9.817 0.000) 9.817 2.675 ( 0.000 -8.851 0.000) 8.851 2.675 ( 0.000 8.851 0.000) 8.851 2.738 ( 0.000 -9.916 0.000) 9.916 2.738 ( 0.000 9.916 0.000) 9.916 2.781 ( 0.000 -5.067 0.000) 5.067 2.781 ( 0.000 5.067 0.000) 5.067 2.889 ( 0.000 -3.142 0.000) 3.142 2.889 ( 0.000 3.142 0.000) 3.142 2.964 ( 0.000 -2.330 0.000) 2.330 2.964 ( 0.000 2.330 0.000) 2.330 3.012 ( 0.000 -1.382 0.000) 1.382 3.012 ( 0.000 1.382 0.000) 1.382 3.118 ( 0.000 -4.698 0.000) 4.698 3.118 ( 0.000 4.698 0.000) 4.698 3.150 ( 0.000 -9.592 0.000) 9.592 3.150 ( 0.000 9.592 0.000) 9.592 3.239 ( 0.000 -11.437 0.000) 11.437 3.239 ( 0.000 11.437 0.000) 11.437 3.271 ( 0.000 -2.332 0.000) 2.332 3.271 ( 0.000 2.332 0.000) 2.332 3.430 ( 0.000 -3.765 0.000) 3.765 3.430 ( 0.000 3.765 0.000) 3.765 3.538 ( 0.000 -11.798 0.000) 11.798 3.538 ( 0.000 11.798 0.000) 11.798 3.599 ( 0.000 -10.222 0.000) 10.222 3.599 ( 0.000 10.222 0.000) 10.222 3.727 ( 0.000 -9.927 0.000) 9.927 3.727 ( 0.000 9.927 0.000) 9.927 3.818 ( 0.000 -12.453 0.000) 12.453 3.818 ( 0.000 12.453 0.000) 12.453 3.868 ( 0.000 -18.364 0.000) 18.364 3.868 ( 0.000 18.364 0.000) 18.364 3.934 ( 0.000 -6.066 0.000) 6.066 3.934 ( 0.000 6.066 0.000) 6.066 3.988 ( 0.000 -11.700 0.000) 11.700 3.988 ( 0.000 11.700 0.000) 11.700 4.040 ( 0.000 -15.287 0.000) 15.287 4.040 ( 0.000 15.287 0.000) 15.287 4.197 ( 0.000 -10.298 0.000) 10.298 4.197 ( 0.000 10.298 0.000) 10.298 4.231 ( 0.000 -5.919 0.000) 5.919 4.231 ( 0.000 5.919 0.000) 5.919 4.395 ( 0.000 -3.488 0.000) 3.488 4.395 ( 0.000 3.488 0.000) 3.488 4.413 ( 0.000 -12.547 0.000) 12.547 4.413 ( 0.000 12.547 0.000) 12.547 4.468 ( 0.000 -0.617 0.000) 0.617 4.468 ( 0.000 0.617 0.000) 0.617 4.650 ( 0.000 -1.696 0.000) 1.696 4.650 ( 0.000 1.696 0.000) 1.696 4.664 ( 0.000 -6.980 0.000) 6.980 4.664 ( 0.000 6.980 0.000) 6.980 4.725 ( 0.000 -2.070 0.000) 2.070 4.725 ( 0.000 2.070 0.000) 2.070 4.840 ( 0.000 -2.193 0.000) 2.193 4.840 ( 0.000 2.193 0.000) 2.193 4.887 ( 0.000 -7.604 0.000) 7.604 4.887 ( 0.000 7.604 0.000) 7.604 5.150 ( 0.000 -2.799 0.000) 2.799 5.150 ( 0.000 2.799 0.000) 2.799 5.182 ( 0.000 -0.777 0.000) 0.777 5.182 ( 0.000 0.777 0.000) 0.777 5.215 ( 0.000 -3.012 0.000) 3.012 5.215 ( 0.000 3.012 0.000) 3.012 5.386 ( 0.000 -3.064 0.000) 3.064 5.386 ( 0.000 3.064 0.000) 3.064 5.407 ( 0.000 -1.685 0.000) 1.685 5.407 ( 0.000 1.685 0.000) 1.685 5.539 ( 0.000 -1.190 0.000) 1.190 5.539 ( 0.000 1.190 0.000) 1.190 5.546 ( 0.000 -5.728 0.000) 5.728 5.546 ( 0.000 5.728 0.000) 5.728 5.864 ( 0.000 -3.507 0.000) 3.507 5.864 ( 0.000 3.507 0.000) 3.507 6.033 ( 0.000 -1.061 0.000) 1.061 6.033 ( 0.000 1.061 0.000) 1.061 6.186 ( 0.000 -3.327 0.000) 3.327 6.186 ( 0.000 3.327 0.000) 3.327 6.389 ( 0.000 -0.552 0.000) 0.552 6.389 ( 0.000 0.552 0.000) 0.552 7.083 ( 0.000 -1.426 0.000) 1.426 7.083 ( 0.000 1.426 0.000) 1.426 7.168 ( 0.000 -0.623 0.000) 0.623 7.168 ( 0.000 0.623 0.000) 0.623 7.172 ( 0.000 -3.627 0.000) 3.627 7.172 ( 0.000 3.627 0.000) 3.627 7.288 ( 0.000 -0.866 0.000) 0.866 7.288 ( 0.000 0.866 0.000) 0.866 8.178 ( 0.000 -6.565 0.000) 6.565 8.178 ( 0.000 6.565 0.000) 6.565 8.236 ( 0.000 -7.241 0.000) 7.241 8.236 ( 0.000 7.241 0.000) 7.241 8.358 ( 0.000 -0.585 0.000) 0.585 8.358 ( 0.000 0.585 0.000) 0.585 8.555 ( 0.000 -2.444 0.000) 2.444 8.555 ( 0.000 2.444 0.000) 2.444 9.035 ( 0.000 -2.035 0.000) 2.035 9.035 ( 0.000 2.035 0.000) 2.035 9.132 ( 0.000 -4.252 0.000) 4.252 9.132 ( 0.000 4.252 0.000) 4.252 9.294 ( 0.000 -3.486 0.000) 3.486 9.294 ( 0.000 3.486 0.000) 3.486 9.464 ( 0.000 -3.731 0.000) 3.731 9.464 ( 0.000 3.731 0.000) 3.731 9.465 ( 0.000 -4.341 0.000) 4.341 9.465 ( 0.000 4.341 0.000) 4.341 9.767 ( 0.000 -1.693 0.000) 1.693 9.767 ( 0.000 1.693 0.000) 1.693 9.773 ( 0.000 -2.722 0.000) 2.722 9.773 ( 0.000 2.722 0.000) 2.722 9.865 ( 0.000 -2.512 0.000) 2.512 9.865 ( 0.000 2.512 0.000) 2.512 10.146 ( 0.000 -3.350 0.000) 3.350 10.146 ( 0.000 3.350 0.000) 3.350 10.476 ( 0.000 -1.055 0.000) 1.055 10.476 ( 0.000 1.055 0.000) 1.055 10.601 ( 0.000 -11.991 0.000) 11.991 10.601 ( 0.000 11.991 0.000) 11.991 11.131 ( 0.000 -15.768 0.000) 15.768 11.131 ( 0.000 15.768 0.000) 15.768 11.208 ( 0.000 -8.622 0.000) 8.622 11.208 ( 0.000 8.622 0.000) 8.622 11.512 ( 0.000 -9.805 0.000) 9.805 11.512 ( 0.000 9.805 0.000) 9.805 11.645 ( 0.000 -5.683 0.000) 5.683 11.645 ( 0.000 5.683 0.000) 5.683 12.425 ( 0.000 -0.757 0.000) 0.757 12.425 ( 0.000 0.757 0.000) 0.757 12.499 ( 0.000 -10.932 0.000) 10.932 12.499 ( 0.000 10.932 0.000) 10.932 12.863 ( 0.000 -3.737 0.000) 3.737 12.863 ( 0.000 3.737 0.000) 3.737 12.977 ( 0.000 -5.089 0.000) 5.089 12.977 ( 0.000 5.089 0.000) 5.089 13.345 ( 0.000 -5.943 0.000) 5.943 13.345 ( 0.000 5.943 0.000) 5.943 16.582 ( 0.000 -5.205 0.000) 5.205 16.582 ( 0.000 5.205 0.000) 5.205 16.673 ( 0.000 -5.237 0.000) 5.237 16.673 ( 0.000 5.237 0.000) 5.237 16.938 ( 0.000 -0.028 0.000) 0.028 16.938 ( 0.000 0.028 0.000) 0.028 17.145 ( 0.000 -2.200 0.000) 2.200 17.145 ( 0.000 2.200 0.000) 2.200 17.370 ( 0.000 -9.312 0.000) 9.312 17.370 ( 0.000 9.312 0.000) 9.312 17.381 ( 0.000 -11.172 0.000) 11.172 17.381 ( 0.000 11.172 0.000) 11.172 18.893 ( 0.000 -1.500 0.000) 1.500 18.893 ( 0.000 1.500 0.000) 1.500 19.022 ( 0.000 -1.248 0.000) 1.248 19.022 ( 0.000 1.248 0.000) 1.248 ======================= Grid point 22 (14/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.198 -0.003 0.000) 0.198 1.560 ( -0.198 0.003 0.000) 0.198 1.853 ( 7.118 -6.682 0.000) 9.763 1.853 ( 7.118 6.682 0.000) 9.763 2.030 ( -4.766 -0.726 0.000) 4.821 2.030 ( -4.766 0.726 0.000) 4.821 2.080 ( 3.480 -7.644 0.000) 8.399 2.080 ( 3.480 7.644 0.000) 8.399 2.190 ( -3.216 -0.586 0.000) 3.269 2.190 ( -3.216 0.586 0.000) 3.269 2.363 ( -2.797 -3.592 0.000) 4.552 2.363 ( -2.797 3.592 0.000) 4.552 2.512 ( -3.576 -2.393 0.000) 4.302 2.512 ( -3.576 2.393 0.000) 4.302 2.576 ( -6.229 -0.939 0.000) 6.299 2.576 ( -6.229 0.939 0.000) 6.299 2.692 ( -8.787 -0.045 0.000) 8.787 2.692 ( -8.787 0.045 0.000) 8.787 2.778 ( 3.239 -3.360 0.000) 4.667 2.778 ( 3.239 3.360 0.000) 4.667 2.816 ( 6.129 -2.183 0.000) 6.506 2.816 ( 6.129 2.183 0.000) 6.506 2.867 ( 2.282 -1.562 0.000) 2.766 2.867 ( 2.282 1.562 0.000) 2.766 3.004 ( 0.483 -2.170 0.000) 2.223 3.004 ( 0.483 2.170 0.000) 2.223 3.039 ( 0.522 -1.709 0.000) 1.787 3.039 ( 0.522 1.709 0.000) 1.787 3.088 ( 4.985 -2.148 0.000) 5.429 3.088 ( 4.985 2.148 0.000) 5.429 3.130 ( -0.699 -0.056 0.000) 0.702 3.130 ( -0.699 0.056 0.000) 0.702 3.273 ( 2.408 -0.250 0.000) 2.420 3.273 ( 2.408 0.250 0.000) 2.420 3.400 ( 7.452 -0.804 0.000) 7.495 3.400 ( 7.452 0.804 0.000) 7.495 3.471 ( 3.189 -1.788 0.000) 3.656 3.471 ( 3.189 1.788 0.000) 3.656 3.514 ( -2.458 -9.024 0.000) 9.352 3.514 ( -2.458 9.024 0.000) 9.352 3.606 ( 0.340 -8.220 0.000) 8.227 3.606 ( 0.340 8.220 0.000) 8.227 3.743 ( -2.271 -4.573 0.000) 5.106 3.743 ( -2.271 4.573 0.000) 5.106 3.772 ( 3.059 -9.585 0.000) 10.062 3.772 ( 3.059 9.585 0.000) 10.062 3.888 ( -5.209 -0.701 0.000) 5.256 3.888 ( -5.209 0.701 0.000) 5.256 3.945 ( -0.712 -0.214 0.000) 0.743 3.945 ( -0.712 0.214 0.000) 0.743 3.995 ( -1.961 -3.990 0.000) 4.446 3.995 ( -1.961 3.990 0.000) 4.446 4.025 ( 5.777 -17.961 0.000) 18.867 4.025 ( 5.777 17.961 0.000) 18.867 4.128 ( -5.416 -1.097 0.000) 5.526 4.128 ( -5.416 1.097 0.000) 5.526 4.213 ( -0.448 -0.899 0.000) 1.005 4.213 ( -0.448 0.899 0.000) 1.005 4.397 ( -1.859 -2.678 0.000) 3.260 4.397 ( -1.859 2.678 0.000) 3.260 4.441 ( -0.881 -0.008 0.000) 0.881 4.441 ( -0.881 0.008 0.000) 0.881 4.469 ( 3.755 -2.477 0.000) 4.499 4.469 ( 3.755 2.477 0.000) 4.499 4.542 ( -3.732 -7.494 0.000) 8.371 4.542 ( -3.732 7.494 0.000) 8.371 4.657 ( -1.558 -0.132 0.000) 1.563 4.657 ( -1.558 0.132 0.000) 1.563 4.755 ( -2.576 -10.132 0.000) 10.454 4.755 ( -2.576 10.132 0.000) 10.454 4.869 ( 4.129 -5.305 0.000) 6.723 4.869 ( 4.129 5.305 0.000) 6.723 4.941 ( 4.051 -0.873 0.000) 4.144 4.941 ( 4.051 0.873 0.000) 4.144 5.041 ( -3.409 -3.019 0.000) 4.554 5.041 ( -3.409 3.019 0.000) 4.554 5.162 ( -4.658 -0.375 0.000) 4.674 5.162 ( -4.658 0.375 0.000) 4.674 5.279 ( 4.601 -2.503 0.000) 5.238 5.279 ( 4.601 2.503 0.000) 5.238 5.324 ( 0.905 -2.820 0.000) 2.962 5.324 ( 0.905 2.820 0.000) 2.962 5.464 ( -3.217 -5.032 0.000) 5.972 5.464 ( -3.217 5.032 0.000) 5.972 5.519 ( -1.383 -2.425 0.000) 2.791 5.519 ( -1.383 2.425 0.000) 2.792 5.618 ( 4.874 -0.055 0.000) 4.874 5.618 ( 4.874 0.055 0.000) 4.874 5.832 ( -4.187 -2.553 0.000) 4.904 5.832 ( -4.187 2.553 0.000) 4.904 5.955 ( -1.242 -0.144 0.000) 1.250 5.955 ( -1.242 0.144 0.000) 1.250 6.236 ( 2.127 -0.139 0.000) 2.132 6.236 ( 2.127 0.139 0.000) 2.132 6.387 ( -0.166 -0.113 0.000) 0.201 6.387 ( -0.166 0.113 0.000) 0.201 7.088 ( 0.296 -0.201 0.000) 0.358 7.088 ( 0.296 0.201 0.000) 0.358 7.149 ( -1.387 -0.597 0.000) 1.510 7.149 ( -1.387 0.597 0.000) 1.510 7.185 ( 0.862 -1.768 0.000) 1.967 7.185 ( 0.862 1.768 0.000) 1.967 7.316 ( 2.050 -0.037 0.000) 2.050 7.316 ( 2.050 0.037 0.000) 2.050 8.216 ( 2.582 -4.553 0.000) 5.234 8.216 ( 2.582 4.553 0.000) 5.234 8.279 ( 2.385 -3.766 0.000) 4.458 8.279 ( 2.385 3.766 0.000) 4.458 8.366 ( 1.569 -0.165 0.000) 1.578 8.366 ( 1.569 0.165 0.000) 1.578 8.597 ( 3.781 -2.429 0.000) 4.494 8.597 ( 3.781 2.429 0.000) 4.494 8.980 ( -4.245 -1.125 0.000) 4.392 8.980 ( -4.245 1.125 0.000) 4.392 9.103 ( -3.128 -5.560 0.000) 6.380 9.103 ( -3.128 5.560 0.000) 6.380 9.287 ( -0.911 -2.985 0.000) 3.121 9.287 ( -0.911 2.985 0.000) 3.121 9.412 ( -1.324 -0.015 0.000) 1.324 9.412 ( -1.324 0.015 0.000) 1.324 9.450 ( -2.297 -2.559 0.000) 3.438 9.450 ( -2.297 2.559 0.000) 3.438 9.745 ( -2.066 -0.535 0.000) 2.134 9.745 ( -2.066 0.535 0.000) 2.134 9.806 ( 2.712 -4.770 0.000) 5.487 9.806 ( 2.712 4.770 0.000) 5.487 9.861 ( -0.068 -3.646 0.000) 3.646 9.861 ( -0.068 3.646 0.000) 3.646 10.170 ( 1.599 -1.914 0.000) 2.494 10.170 ( 1.599 1.914 0.000) 2.494 10.470 ( -1.115 -1.240 0.000) 1.668 10.470 ( -1.115 1.240 0.000) 1.668 10.620 ( 2.298 -0.688 0.000) 2.398 10.620 ( 2.298 0.688 0.000) 2.398 11.090 ( -2.675 -2.366 0.000) 3.571 11.090 ( -2.675 2.366 0.000) 3.571 11.262 ( 1.464 -1.067 0.000) 1.812 11.262 ( 1.464 1.067 0.000) 1.812 11.503 ( 1.706 -0.943 0.000) 1.949 11.503 ( 1.706 0.943 0.000) 1.949 11.757 ( 8.682 -1.366 0.000) 8.788 11.757 ( 8.682 1.366 0.000) 8.788 12.395 ( -2.264 -0.333 0.000) 2.288 12.395 ( -2.264 0.333 0.000) 2.288 12.511 ( -3.501 -3.397 0.000) 4.878 12.511 ( -3.501 3.397 0.000) 4.878 12.769 ( -0.179 -0.299 0.000) 0.348 12.769 ( -0.179 0.299 0.000) 0.348 13.068 ( 3.936 -0.411 0.000) 3.957 13.068 ( 3.936 0.411 0.000) 3.957 13.258 ( -7.187 -5.046 0.000) 8.782 13.258 ( -7.187 5.046 0.000) 8.782 16.595 ( 0.862 -3.373 0.000) 3.482 16.595 ( 0.862 3.373 0.000) 3.482 16.690 ( 1.247 -3.685 0.000) 3.890 16.690 ( 1.247 3.685 0.000) 3.890 16.937 ( 0.105 -0.005 0.000) 0.105 16.937 ( 0.105 0.005 0.000) 0.105 17.173 ( 2.304 -0.811 0.000) 2.442 17.173 ( 2.304 0.811 0.000) 2.442 17.331 ( -2.727 -2.733 0.000) 3.861 17.331 ( -2.727 2.733 0.000) 3.861 17.357 ( -2.292 -2.869 0.000) 3.673 17.357 ( -2.292 2.869 0.000) 3.673 18.905 ( 0.890 -1.046 0.000) 1.373 18.905 ( 0.890 1.046 0.000) 1.373 19.018 ( -0.346 -0.904 0.000) 0.968 19.018 ( -0.346 0.904 0.000) 0.968 ======================= Grid point 24 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 -0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.325 ( -0.000 -0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 -0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 -0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 2.978 ( -0.000 -0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.161 ( -0.000 -0.000 0.000) 0.000 3.161 ( -0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.330 ( -0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.476 ( -0.000 0.000 0.000) 0.000 3.501 ( 0.000 -0.000 0.000) 0.000 3.501 ( 0.000 -0.000 0.000) 0.000 3.510 ( -0.000 0.000 0.000) 0.000 3.510 ( -0.000 0.000 0.000) 0.000 3.665 ( -0.000 -0.000 0.000) 0.000 3.665 ( -0.000 -0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.768 ( -0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.814 ( -0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 3.966 ( -0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 3.981 ( -0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.156 ( -0.000 0.000 0.000) 0.000 4.249 ( 0.000 -0.000 0.000) 0.000 4.249 ( 0.000 -0.000 0.000) 0.000 4.320 ( -0.000 0.000 0.000) 0.000 4.320 ( -0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 -0.000 0.000) 0.000 4.499 ( 0.000 -0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.632 ( -0.000 -0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.680 ( -0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 -0.000 0.000) 0.000 4.900 ( -0.000 0.000 0.000) 0.000 5.006 ( -0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 -0.000 0.000) 0.000 5.055 ( 0.000 -0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.297 ( -0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.378 ( -0.000 -0.000 0.000) 0.000 5.378 ( 0.000 -0.000 0.000) 0.000 5.488 ( -0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.713 ( -0.000 0.000 0.000) 0.000 5.713 ( -0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.128 ( -0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.249 ( -0.000 0.000 0.000) 0.000 8.297 ( -0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.666 ( -0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 -0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.418 ( 0.000 0.000 0.000) 0.000 12.418 ( 0.000 0.000 0.000) 0.000 12.846 ( -0.000 0.000 0.000) 0.000 12.846 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.141 ( -0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 16.606 ( -0.000 0.000 0.000) 0.000 16.606 ( 0.000 0.000 0.000) 0.000 16.707 ( 0.000 0.000 0.000) 0.000 16.707 ( 0.000 0.000 0.000) 0.000 16.942 ( 0.000 0.000 0.000) 0.000 16.942 ( 0.000 0.000 0.000) 0.000 17.213 ( 0.000 0.000 0.000) 0.000 17.213 ( 0.000 0.000 0.000) 0.000 17.293 ( 0.000 -0.000 0.000) 0.000 17.293 ( 0.000 0.000 0.000) 0.000 17.314 ( -0.000 -0.000 0.000) 0.000 17.314 ( -0.000 0.000 0.000) 0.000 18.918 ( 0.000 0.000 0.000) 0.000 18.918 ( 0.000 0.000 0.000) 0.000 19.013 ( 0.000 0.000 0.000) 0.000 19.013 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 0.000 0.000 27.732) 27.732 0.556 ( 0.000 0.000 30.190) 30.190 0.885 ( 0.000 0.000 46.178) 46.178 1.388 ( 0.000 0.000 -15.906) 15.906 1.398 ( 0.000 0.000 4.065) 4.065 1.584 ( 0.000 0.000 -25.501) 25.501 1.679 ( 0.000 0.000 -8.219) 8.219 1.696 ( 0.000 0.000 9.274) 9.274 1.743 ( 0.000 0.000 2.314) 2.314 1.811 ( 0.000 0.000 -4.099) 4.099 1.943 ( 0.000 0.000 11.937) 11.937 2.039 ( 0.000 0.000 -6.664) 6.664 2.247 ( 0.000 0.000 8.217) 8.217 2.286 ( 0.000 0.000 -14.298) 14.298 2.293 ( 0.000 0.000 8.974) 8.974 2.356 ( 0.000 0.000 -1.583) 1.583 2.392 ( 0.000 0.000 -0.424) 0.424 2.440 ( 0.000 0.000 8.955) 8.955 2.445 ( 0.000 0.000 -0.220) 0.220 2.500 ( 0.000 0.000 0.038) 0.038 2.537 ( 0.000 0.000 -1.542) 1.542 2.566 ( 0.000 0.000 -3.869) 3.869 2.574 ( 0.000 0.000 4.686) 4.686 2.667 ( 0.000 0.000 -5.310) 5.310 2.688 ( 0.000 0.000 -3.260) 3.260 2.692 ( 0.000 0.000 2.733) 2.733 2.798 ( 0.000 0.000 -8.715) 8.715 2.853 ( 0.000 0.000 -4.748) 4.748 2.855 ( 0.000 0.000 1.776) 1.776 3.013 ( 0.000 0.000 1.891) 1.891 3.017 ( 0.000 0.000 -0.491) 0.491 3.085 ( 0.000 0.000 -8.065) 8.065 3.124 ( 0.000 0.000 4.381) 4.381 3.159 ( 0.000 0.000 5.969) 5.969 3.178 ( 0.000 0.000 -1.944) 1.944 3.247 ( 0.000 0.000 9.653) 9.653 3.290 ( 0.000 0.000 0.147) 0.147 3.294 ( 0.000 0.000 -11.569) 11.569 3.330 ( 0.000 0.000 -4.502) 4.502 3.415 ( 0.000 0.000 -1.603) 1.603 3.452 ( 0.000 0.000 -4.884) 4.884 3.521 ( 0.000 0.000 8.322) 8.322 3.588 ( 0.000 0.000 0.578) 0.578 3.624 ( 0.000 0.000 -1.663) 1.663 3.660 ( 0.000 0.000 -6.995) 6.995 3.709 ( 0.000 0.000 -1.046) 1.046 3.728 ( 0.000 0.000 -1.438) 1.438 3.776 ( 0.000 0.000 3.005) 3.005 3.826 ( 0.000 0.000 1.393) 1.393 3.909 ( 0.000 0.000 -7.320) 7.320 3.993 ( 0.000 0.000 -4.962) 4.962 4.115 ( 0.000 0.000 1.343) 1.343 4.126 ( 0.000 0.000 -4.832) 4.832 4.183 ( 0.000 0.000 10.739) 10.739 4.191 ( 0.000 0.000 -3.052) 3.052 4.199 ( 0.000 0.000 5.082) 5.082 4.305 ( 0.000 0.000 2.368) 2.368 4.333 ( 0.000 0.000 -1.634) 1.634 4.375 ( 0.000 0.000 -1.752) 1.752 4.444 ( 0.000 0.000 -0.996) 0.996 4.455 ( 0.000 0.000 6.564) 6.564 4.507 ( 0.000 0.000 -1.017) 1.017 4.535 ( 0.000 0.000 12.076) 12.076 4.550 ( 0.000 0.000 4.974) 4.974 4.591 ( 0.000 0.000 6.560) 6.560 4.698 ( 0.000 0.000 1.369) 1.369 4.760 ( 0.000 0.000 -7.127) 7.127 4.804 ( 0.000 0.000 3.418) 3.418 4.806 ( 0.000 0.000 7.591) 7.591 4.839 ( 0.000 0.000 4.330) 4.330 4.872 ( 0.000 0.000 -0.999) 0.999 4.908 ( 0.000 0.000 -10.732) 10.732 5.052 ( 0.000 0.000 -7.114) 7.114 5.121 ( 0.000 0.000 -8.224) 8.224 5.137 ( 0.000 0.000 -4.135) 4.135 5.245 ( 0.000 0.000 1.359) 1.359 5.291 ( 0.000 0.000 -0.583) 0.583 5.314 ( 0.000 0.000 3.313) 3.313 5.344 ( 0.000 0.000 3.756) 3.756 5.384 ( 0.000 0.000 1.422) 1.422 5.400 ( 0.000 0.000 1.908) 1.908 5.456 ( 0.000 0.000 -9.521) 9.521 5.503 ( 0.000 0.000 -6.082) 6.082 5.513 ( 0.000 0.000 -1.691) 1.691 5.517 ( 0.000 0.000 5.091) 5.091 5.563 ( 0.000 0.000 3.156) 3.156 5.654 ( 0.000 0.000 1.656) 1.656 5.720 ( 0.000 0.000 -0.701) 0.701 5.835 ( 0.000 0.000 3.193) 3.193 5.843 ( 0.000 0.000 6.002) 6.002 5.927 ( 0.000 0.000 -1.625) 1.625 6.014 ( 0.000 0.000 -2.485) 2.485 6.304 ( 0.000 0.000 -0.036) 0.036 6.320 ( 0.000 0.000 -0.600) 0.600 6.637 ( 0.000 0.000 1.359) 1.359 6.673 ( 0.000 0.000 -0.537) 0.537 7.047 ( 0.000 0.000 0.098) 0.098 7.091 ( 0.000 0.000 -1.590) 1.590 7.157 ( 0.000 0.000 0.619) 0.619 7.180 ( 0.000 0.000 -0.436) 0.436 7.198 ( 0.000 0.000 1.089) 1.089 7.243 ( 0.000 0.000 2.758) 2.758 7.290 ( 0.000 0.000 -2.525) 2.525 7.345 ( 0.000 0.000 -2.161) 2.161 7.878 ( 0.000 0.000 1.812) 1.812 7.973 ( 0.000 0.000 -2.563) 2.563 8.017 ( 0.000 0.000 1.270) 1.270 8.049 ( 0.000 0.000 2.149) 2.149 8.114 ( 0.000 0.000 -1.031) 1.031 8.128 ( 0.000 0.000 -3.985) 3.985 8.567 ( 0.000 0.000 1.597) 1.597 8.666 ( 0.000 0.000 -2.973) 2.973 8.675 ( 0.000 0.000 1.076) 1.076 8.730 ( 0.000 0.000 -1.560) 1.560 8.988 ( 0.000 0.000 1.528) 1.528 9.073 ( 0.000 0.000 -2.099) 2.099 9.201 ( 0.000 0.000 5.249) 5.249 9.409 ( 0.000 0.000 -4.584) 4.584 9.429 ( 0.000 0.000 5.731) 5.731 9.477 ( 0.000 0.000 3.136) 3.136 9.587 ( 0.000 0.000 4.719) 4.719 9.704 ( 0.000 0.000 5.307) 5.307 9.708 ( 0.000 0.000 0.998) 0.998 9.740 ( 0.000 0.000 -0.119) 0.119 9.821 ( 0.000 0.000 1.627) 1.627 10.238 ( 0.000 0.000 -2.581) 2.581 10.360 ( 0.000 0.000 -7.228) 7.228 10.380 ( 0.000 0.000 -19.971) 19.971 10.487 ( 0.000 0.000 0.861) 0.861 10.574 ( 0.000 0.000 -3.966) 3.966 10.775 ( 0.000 0.000 3.303) 3.303 10.787 ( 0.000 0.000 4.233) 4.233 10.805 ( 0.000 0.000 5.232) 5.232 10.991 ( 0.000 0.000 -3.043) 3.043 11.207 ( 0.000 0.000 -3.401) 3.401 11.232 ( 0.000 0.000 0.425) 0.425 11.381 ( 0.000 0.000 3.492) 3.492 11.491 ( 0.000 0.000 13.842) 13.842 11.559 ( 0.000 0.000 -4.681) 4.681 11.755 ( 0.000 0.000 0.753) 0.753 11.780 ( 0.000 0.000 0.225) 0.225 11.955 ( 0.000 0.000 8.488) 8.488 11.968 ( 0.000 0.000 8.004) 8.004 12.144 ( 0.000 0.000 -15.031) 15.031 12.329 ( 0.000 0.000 -7.326) 7.326 12.351 ( 0.000 0.000 -10.983) 10.983 12.521 ( 0.000 0.000 4.523) 4.523 12.524 ( 0.000 0.000 2.415) 2.415 12.702 ( 0.000 0.000 7.706) 7.706 12.887 ( 0.000 0.000 -2.450) 2.450 13.254 ( 0.000 0.000 -0.036) 0.036 13.258 ( 0.000 0.000 -0.228) 0.228 16.401 ( 0.000 0.000 0.208) 0.208 16.407 ( 0.000 0.000 -0.027) 0.027 16.794 ( 0.000 0.000 2.474) 2.474 16.837 ( 0.000 0.000 1.102) 1.102 16.891 ( 0.000 0.000 -1.220) 1.220 16.937 ( 0.000 0.000 -4.864) 4.864 17.133 ( 0.000 0.000 5.575) 5.575 17.178 ( 0.000 0.000 1.104) 1.104 17.230 ( 0.000 0.000 -1.145) 1.145 17.298 ( 0.000 0.000 -2.711) 2.711 18.075 ( 0.000 0.000 0.621) 0.621 18.117 ( 0.000 0.000 -1.264) 1.264 18.848 ( 0.000 0.000 2.204) 2.204 18.939 ( 0.000 0.000 -1.767) 1.767 19.043 ( 0.000 0.000 1.361) 1.361 19.103 ( 0.000 0.000 -1.271) 1.271 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 21.514 0.000 13.664) 25.487 0.774 ( 19.187 0.000 16.910) 25.575 1.307 ( 20.457 0.000 24.325) 31.784 1.373 ( -1.860 0.000 2.459) 3.084 1.421 ( 2.306 0.000 -10.745) 10.990 1.515 ( -3.666 0.000 -19.232) 19.579 1.632 ( -1.619 0.000 6.757) 6.948 1.704 ( 1.903 0.000 -7.941) 8.165 1.756 ( -3.937 0.000 -2.902) 4.891 1.797 ( 7.476 0.000 1.752) 7.678 1.830 ( -13.417 0.000 -4.228) 14.067 1.966 ( -13.763 0.000 6.037) 15.029 2.037 ( 2.759 0.000 9.450) 9.845 2.184 ( -10.511 0.000 -0.284) 10.515 2.185 ( -14.057 0.000 3.064) 14.387 2.199 ( -12.823 0.000 5.891) 14.112 2.259 ( -7.097 0.000 1.595) 7.274 2.402 ( -1.249 0.000 6.929) 7.041 2.502 ( 7.477 0.000 -2.190) 7.791 2.524 ( 3.048 0.000 -3.104) 4.350 2.583 ( 12.399 0.000 -12.408) 17.541 2.646 ( 2.478 0.000 1.903) 3.125 2.663 ( 3.474 0.000 -1.040) 3.626 2.670 ( 1.122 0.000 0.312) 1.165 2.701 ( 1.804 0.000 5.340) 5.637 2.796 ( -0.295 0.000 -1.968) 1.990 2.874 ( 6.915 0.000 -3.049) 7.557 2.881 ( -3.888 0.000 -3.187) 5.028 2.966 ( 6.637 0.000 -5.393) 8.551 2.983 ( -4.705 0.000 1.276) 4.875 3.022 ( -1.508 0.000 1.280) 1.978 3.059 ( -11.787 0.000 7.362) 13.897 3.104 ( -3.262 0.000 -0.281) 3.274 3.143 ( 0.754 0.000 -5.928) 5.976 3.164 ( 0.703 0.000 -1.336) 1.509 3.183 ( -6.182 0.000 -2.990) 6.867 3.221 ( 5.891 0.000 -9.063) 10.810 3.289 ( -5.198 0.000 -4.567) 6.919 3.291 ( 4.749 0.000 1.335) 4.933 3.343 ( -4.416 0.000 -0.120) 4.417 3.513 ( 6.765 0.000 6.035) 9.066 3.581 ( 5.908 0.000 -2.172) 6.295 3.611 ( 1.962 0.000 1.690) 2.590 3.653 ( -0.477 0.000 -3.010) 3.048 3.731 ( -2.614 0.000 3.657) 4.495 3.781 ( 4.597 0.000 3.007) 5.493 3.792 ( 6.984 0.000 -1.890) 7.235 3.870 ( 10.340 0.000 0.333) 10.345 3.873 ( 0.910 0.000 -0.412) 0.999 3.977 ( 4.321 0.000 -5.021) 6.624 3.988 ( 3.252 0.000 -2.979) 4.410 4.031 ( -3.489 0.000 -3.192) 4.729 4.156 ( -5.811 0.000 1.439) 5.987 4.167 ( 3.448 0.000 -2.290) 4.140 4.221 ( -0.486 0.000 -4.054) 4.083 4.230 ( 2.259 0.000 0.992) 2.467 4.308 ( -1.438 0.000 5.383) 5.572 4.364 ( 0.994 0.000 3.823) 3.950 4.396 ( 0.090 0.000 -0.910) 0.915 4.411 ( 1.018 0.000 3.265) 3.420 4.472 ( 4.518 0.000 -1.236) 4.684 4.515 ( -4.386 0.000 -1.430) 4.613 4.540 ( 1.295 0.000 1.801) 2.218 4.571 ( 0.925 0.000 2.957) 3.098 4.586 ( -6.928 0.000 6.898) 9.776 4.641 ( 6.045 0.000 5.017) 7.855 4.659 ( -5.177 0.000 2.217) 5.632 4.752 ( -2.787 0.000 2.996) 4.092 4.813 ( -1.560 0.000 -7.844) 7.997 4.877 ( -2.816 0.000 -5.777) 6.427 4.894 ( 0.854 0.000 -3.987) 4.078 4.929 ( -7.714 0.000 0.711) 7.747 4.974 ( 1.124 0.000 -5.005) 5.130 5.014 ( -4.023 0.000 -5.070) 6.472 5.128 ( -0.585 0.000 -1.150) 1.290 5.158 ( -5.000 0.000 2.059) 5.407 5.231 ( -6.892 0.000 -1.365) 7.025 5.309 ( -0.637 0.000 -2.646) 2.722 5.310 ( -0.865 0.000 5.247) 5.317 5.368 ( -1.618 0.000 2.976) 3.387 5.389 ( 3.538 0.000 2.308) 4.224 5.423 ( -2.247 0.000 3.923) 4.521 5.493 ( 3.652 0.000 -3.721) 5.214 5.603 ( 6.295 0.000 5.275) 8.213 5.638 ( 2.248 0.000 -5.350) 5.803 5.703 ( 3.662 0.000 -1.397) 3.919 5.723 ( -1.228 0.000 4.760) 4.916 5.740 ( 3.077 0.000 0.949) 3.221 5.810 ( 5.225 0.000 0.012) 5.225 5.921 ( 1.445 0.000 1.838) 2.338 5.946 ( 2.413 0.000 -4.080) 4.740 6.013 ( 0.975 0.000 -2.803) 2.968 6.302 ( 0.641 0.000 0.118) 0.652 6.328 ( 0.989 0.000 -1.534) 1.825 6.493 ( -7.505 0.000 4.931) 8.980 6.578 ( -8.686 0.000 -0.664) 8.711 6.977 ( -0.387 0.000 2.112) 2.147 7.031 ( 2.138 0.000 -1.476) 2.598 7.122 ( -3.953 0.000 0.853) 4.044 7.162 ( -0.089 0.000 -0.576) 0.583 7.229 ( 1.509 0.000 0.918) 1.766 7.266 ( 0.165 0.000 2.581) 2.586 7.305 ( -0.130 0.000 -2.730) 2.733 7.341 ( -0.663 0.000 -0.986) 1.189 7.976 ( 2.331 0.000 0.235) 2.343 7.987 ( 0.707 0.000 0.919) 1.160 8.003 ( -0.350 0.000 0.731) 0.811 8.096 ( -2.615 0.000 -2.218) 3.429 8.247 ( 14.063 0.000 1.082) 14.104 8.415 ( 12.338 0.000 -10.556) 16.237 8.585 ( 1.048 0.000 -0.382) 1.116 8.631 ( -3.103 0.000 -2.277) 3.848 8.733 ( 4.109 0.000 0.515) 4.142 8.750 ( 2.457 0.000 -0.039) 2.458 8.881 ( -5.311 0.000 4.966) 7.271 9.020 ( -4.845 0.000 -1.991) 5.238 9.362 ( 9.448 0.000 4.939) 10.661 9.429 ( -1.249 0.000 3.686) 3.892 9.442 ( 1.158 0.000 4.421) 4.570 9.526 ( -3.714 0.000 0.766) 3.792 9.567 ( -4.254 0.000 -0.592) 4.295 9.674 ( 5.249 0.000 0.040) 5.249 9.731 ( 1.545 0.000 3.598) 3.916 9.773 ( 12.517 0.000 -11.467) 16.976 10.003 ( 9.103 0.000 3.646) 9.806 10.005 ( -13.941 0.000 -1.849) 14.063 10.245 ( -6.302 0.000 -10.714) 12.430 10.351 ( -10.849 0.000 1.810) 10.999 10.493 ( 8.693 0.000 -10.508) 13.638 10.626 ( -9.454 0.000 4.768) 10.589 10.682 ( -3.150 0.000 -5.395) 6.247 10.788 ( 4.112 0.000 -2.152) 4.641 10.884 ( -0.539 0.000 3.449) 3.491 10.979 ( 6.508 0.000 4.586) 7.961 11.108 ( -5.288 0.000 -4.406) 6.883 11.244 ( -0.830 0.000 -3.246) 3.351 11.384 ( -5.982 0.000 13.221) 14.512 11.436 ( 6.506 0.000 -1.050) 6.591 11.538 ( -4.201 0.000 2.262) 4.772 11.729 ( -2.494 0.000 -1.605) 2.966 11.821 ( 2.709 0.000 2.451) 3.654 11.904 ( -3.223 0.000 5.187) 6.106 11.915 ( -3.305 0.000 6.179) 7.008 11.951 ( -6.889 0.000 9.026) 11.355 12.208 ( 4.338 0.000 -6.437) 7.762 12.432 ( -5.622 0.000 2.167) 6.025 12.433 ( 0.182 0.000 -9.175) 9.177 12.465 ( -1.568 0.000 -2.841) 3.245 13.048 ( 9.914 0.000 -0.104) 9.915 13.118 ( 11.322 0.000 -6.664) 13.138 13.253 ( -0.492 0.000 0.035) 0.493 13.260 ( -0.026 0.000 -0.253) 0.254 16.462 ( 5.054 0.000 1.163) 5.186 16.598 ( 9.779 0.000 -9.329) 13.515 16.716 ( -5.026 0.000 2.306) 5.530 16.848 ( -3.385 0.000 -3.816) 5.100 16.894 ( 3.308 0.000 1.225) 3.527 16.951 ( 1.141 0.000 -0.957) 1.490 17.055 ( -3.893 0.000 3.414) 5.178 17.080 ( -5.449 0.000 0.554) 5.477 17.348 ( 7.696 0.000 1.506) 7.842 17.445 ( 9.893 0.000 -2.162) 10.126 17.818 ( -15.512 0.000 9.907) 18.405 17.952 ( -10.247 0.000 -0.771) 10.276 18.886 ( 3.128 0.000 1.979) 3.701 18.970 ( 2.570 0.000 -1.657) 3.058 19.022 ( -1.910 0.000 1.453) 2.400 19.086 ( -1.640 0.000 -1.317) 2.103 ======================= Grid point 47 (18/45) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -16.639 0.000 7.269) 18.158 1.195 ( 16.639 0.000 7.269) 18.158 1.262 ( -20.255 0.000 3.042) 20.482 1.262 ( 20.255 0.000 3.042) 20.482 1.492 ( -4.646 0.000 -1.479) 4.876 1.492 ( 4.646 0.000 -1.479) 4.876 1.560 ( -9.081 0.000 -6.909) 11.411 1.560 ( 9.081 0.000 -6.909) 11.411 1.750 ( -5.315 0.000 1.316) 5.476 1.750 ( 5.315 0.000 1.316) 5.476 1.912 ( -9.756 0.000 -6.864) 11.929 1.912 ( 9.756 0.000 -6.864) 11.929 2.022 ( -0.936 0.000 3.902) 4.013 2.022 ( 0.936 0.000 3.902) 4.013 2.082 ( -4.850 0.000 0.922) 4.937 2.082 ( 4.850 0.000 0.922) 4.937 2.278 ( -17.616 0.000 14.328) 22.707 2.278 ( 17.616 0.000 14.328) 22.707 2.609 ( -8.015 0.000 4.788) 9.336 2.609 ( 8.015 0.000 4.788) 9.336 2.618 ( -3.619 0.000 0.153) 3.622 2.618 ( 3.619 0.000 0.153) 3.622 2.738 ( -1.095 0.000 -4.524) 4.655 2.738 ( 1.095 0.000 -4.524) 4.655 2.739 ( -3.302 0.000 1.228) 3.523 2.739 ( 3.302 0.000 1.228) 3.523 2.874 ( -6.057 0.000 -3.723) 7.110 2.874 ( 6.057 0.000 -3.723) 7.110 2.899 ( -8.081 0.000 -0.981) 8.140 2.899 ( 8.081 0.000 -0.981) 8.140 3.014 ( -1.697 0.000 2.662) 3.157 3.014 ( 1.697 0.000 2.662) 3.157 3.049 ( -4.085 0.000 -3.299) 5.251 3.049 ( 4.085 0.000 -3.299) 5.251 3.185 ( -3.319 0.000 -4.157) 5.319 3.185 ( 3.319 0.000 -4.157) 5.319 3.243 ( -3.596 0.000 -2.957) 4.656 3.243 ( 3.596 0.000 -2.957) 4.656 3.458 ( -11.529 0.000 -17.486) 20.944 3.458 ( 11.529 0.000 -17.486) 20.944 3.540 ( -12.812 0.000 9.516) 15.960 3.540 ( 12.812 0.000 9.516) 15.960 3.606 ( -3.527 0.000 13.236) 13.698 3.606 ( 3.527 0.000 13.236) 13.698 3.785 ( -5.541 0.000 -0.566) 5.570 3.785 ( 5.541 0.000 -0.566) 5.570 3.927 ( -5.582 0.000 -1.771) 5.856 3.927 ( 5.582 0.000 -1.771) 5.856 4.025 ( -13.975 0.000 -1.431) 14.048 4.025 ( 13.975 0.000 -1.431) 14.048 4.033 ( -2.587 0.000 -0.992) 2.771 4.033 ( 2.587 0.000 -0.992) 2.771 4.136 ( -5.282 0.000 -1.820) 5.587 4.136 ( 5.282 0.000 -1.820) 5.587 4.169 ( -10.651 0.000 -4.214) 11.454 4.169 ( 10.651 0.000 -4.214) 11.454 4.346 ( -2.601 0.000 0.067) 2.602 4.346 ( 2.601 0.000 0.067) 2.602 4.382 ( -8.463 0.000 -1.413) 8.580 4.382 ( 8.463 0.000 -1.413) 8.580 4.545 ( -1.481 0.000 1.408) 2.043 4.545 ( 1.481 0.000 1.408) 2.043 4.596 ( -7.738 0.000 4.502) 8.953 4.596 ( 7.738 0.000 4.502) 8.953 4.625 ( -7.848 0.000 3.037) 8.415 4.625 ( 7.848 0.000 3.037) 8.415 4.673 ( -3.653 0.000 -2.916) 4.674 4.673 ( 3.653 0.000 -2.916) 4.674 4.739 ( -7.621 0.000 -2.149) 7.918 4.739 ( 7.621 0.000 -2.149) 7.918 4.819 ( -4.215 0.000 -5.750) 7.130 4.819 ( 4.215 0.000 -5.750) 7.130 5.051 ( -3.985 0.000 -0.421) 4.008 5.051 ( 3.985 0.000 -0.421) 4.008 5.064 ( -5.602 0.000 -0.900) 5.674 5.064 ( 5.602 0.000 -0.900) 5.674 5.208 ( -6.879 0.000 10.426) 12.491 5.208 ( 6.879 0.000 10.426) 12.491 5.369 ( -2.331 0.000 3.207) 3.964 5.369 ( 2.331 0.000 3.207) 3.964 5.390 ( -3.775 0.000 -1.282) 3.986 5.390 ( 3.775 0.000 -1.282) 3.986 5.602 ( -4.552 0.000 -4.589) 6.463 5.602 ( 4.552 0.000 -4.589) 6.463 5.711 ( -2.230 0.000 3.438) 4.098 5.711 ( 2.230 0.000 3.438) 4.098 5.744 ( -0.948 0.000 1.702) 1.948 5.744 ( 0.948 0.000 1.702) 1.948 5.905 ( -2.583 0.000 0.248) 2.594 5.905 ( 2.583 0.000 0.248) 2.594 6.011 ( -2.110 0.000 -4.412) 4.891 6.011 ( 2.110 0.000 -4.412) 4.891 6.376 ( -3.609 0.000 0.119) 3.611 6.376 ( 3.609 0.000 0.119) 3.611 6.382 ( -7.272 0.000 0.162) 7.274 6.382 ( 7.272 0.000 0.162) 7.274 7.028 ( -4.068 0.000 1.601) 4.372 7.028 ( 4.068 0.000 1.601) 4.372 7.118 ( -4.037 0.000 -2.567) 4.784 7.118 ( 4.037 0.000 -2.567) 4.784 7.257 ( -0.948 0.000 1.566) 1.830 7.257 ( 0.948 0.000 1.566) 1.830 7.314 ( -1.289 0.000 -1.030) 1.650 7.314 ( 1.289 0.000 -1.030) 1.650 7.997 ( -0.252 0.000 1.209) 1.235 7.997 ( 0.252 0.000 1.209) 1.235 8.031 ( -2.940 0.000 -0.193) 2.946 8.031 ( 2.940 0.000 -0.193) 2.946 8.512 ( -8.656 0.000 -0.146) 8.657 8.512 ( 8.656 0.000 -0.146) 8.657 8.567 ( -3.387 0.000 -2.900) 4.459 8.567 ( 3.387 0.000 -2.900) 4.459 8.804 ( -2.458 0.000 1.913) 3.115 8.804 ( 2.458 0.000 1.913) 3.115 8.866 ( -7.841 0.000 -0.198) 7.843 8.866 ( 7.841 0.000 -0.198) 7.843 9.408 ( -2.399 0.000 1.641) 2.907 9.408 ( 2.399 0.000 1.641) 2.907 9.474 ( -1.607 0.000 1.134) 1.967 9.474 ( 1.607 0.000 1.134) 1.967 9.701 ( -6.765 0.000 4.214) 7.970 9.701 ( 6.765 0.000 4.214) 7.970 9.751 ( -7.670 0.000 3.273) 8.339 9.751 ( 7.670 0.000 3.273) 8.339 10.094 ( -13.002 0.000 -7.899) 15.213 10.094 ( 13.002 0.000 -7.899) 15.213 10.145 ( -4.378 0.000 -7.183) 8.412 10.145 ( 4.378 0.000 -7.183) 8.412 10.497 ( -1.423 0.000 4.463) 4.685 10.497 ( 1.423 0.000 4.463) 4.685 10.726 ( -10.079 0.000 -9.655) 13.957 10.726 ( 10.079 0.000 -9.655) 13.957 11.047 ( -3.779 0.000 2.131) 4.339 11.047 ( 3.779 0.000 2.131) 4.339 11.091 ( -11.135 0.000 -0.972) 11.177 11.091 ( 11.135 0.000 -0.972) 11.177 11.399 ( -6.729 0.000 9.897) 11.968 11.399 ( 6.729 0.000 9.897) 11.968 11.620 ( -7.856 0.000 -4.675) 9.142 11.620 ( 7.856 0.000 -4.675) 9.142 11.868 ( -0.496 0.000 6.058) 6.078 11.868 ( 0.496 0.000 6.058) 6.078 11.878 ( -2.358 0.000 3.193) 3.969 11.878 ( 2.358 0.000 3.193) 3.969 12.312 ( -5.259 0.000 -0.708) 5.307 12.312 ( 5.259 0.000 -0.708) 5.307 12.439 ( -0.751 0.000 -5.845) 5.893 12.439 ( 0.751 0.000 -5.845) 5.893 13.208 ( -4.312 0.000 0.292) 4.321 13.208 ( 4.312 0.000 0.292) 4.321 13.241 ( -2.226 0.000 -1.447) 2.655 13.241 ( 2.226 0.000 -1.447) 2.655 16.591 ( -6.267 0.000 2.206) 6.644 16.591 ( 6.267 0.000 2.206) 6.644 16.755 ( -5.300 0.000 -6.610) 8.472 16.755 ( 5.300 0.000 -6.610) 8.472 16.974 ( -4.193 0.000 0.892) 4.287 16.974 ( 4.193 0.000 0.892) 4.287 16.988 ( -2.310 0.000 1.516) 2.763 16.988 ( 2.310 0.000 1.516) 2.763 17.544 ( -10.474 0.000 5.029) 11.618 17.544 ( 10.474 0.000 5.029) 11.618 17.692 ( -12.427 0.000 -2.113) 12.605 17.692 ( 12.427 0.000 -2.113) 12.605 18.962 ( -3.427 0.000 1.646) 3.802 18.962 ( 3.427 0.000 1.646) 3.802 19.034 ( -2.957 0.000 -1.463) 3.299 19.034 ( 2.957 0.000 -1.463) 3.299 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.000 17.887 21.015) 27.597 0.778 ( 0.000 19.839 20.827) 28.764 1.281 ( 0.000 35.281 26.354) 44.037 1.493 ( 0.000 11.501 -2.238) 11.717 1.576 ( 0.000 14.969 -9.225) 17.583 1.618 ( 0.000 3.529 -19.906) 20.216 1.736 ( 0.000 3.293 5.531) 6.437 1.770 ( 0.000 9.690 -6.119) 11.460 1.887 ( 0.000 13.747 1.489) 13.827 1.979 ( 0.000 8.510 4.636) 9.691 2.053 ( 0.000 15.235 0.519) 15.243 2.069 ( 0.000 1.613 -6.982) 7.166 2.201 ( 0.000 0.016 6.623) 6.623 2.249 ( 0.000 2.730 6.051) 6.639 2.348 ( 0.000 -0.529 -0.662) 0.848 2.407 ( 0.000 0.775 9.418) 9.450 2.439 ( 0.000 0.068 -2.988) 2.988 2.477 ( 0.000 2.663 -1.421) 3.019 2.486 ( 0.000 3.460 -1.027) 3.610 2.494 ( 0.000 3.547 -1.428) 3.824 2.579 ( 0.000 3.526 -2.422) 4.278 2.636 ( 0.000 6.332 -0.606) 6.361 2.642 ( 0.000 6.082 -4.279) 7.436 2.694 ( 0.000 -0.199 1.078) 1.096 2.695 ( 0.000 1.357 -0.740) 1.546 2.704 ( 0.000 6.099 0.326) 6.108 2.813 ( 0.000 1.698 1.591) 2.327 2.876 ( 0.000 7.347 -8.910) 11.548 2.931 ( 0.000 2.395 -3.245) 4.033 3.001 ( 0.000 -0.564 -3.710) 3.752 3.011 ( 0.000 0.646 5.639) 5.676 3.066 ( 0.000 4.036 -4.570) 6.097 3.115 ( 0.000 -2.640 3.814) 4.639 3.169 ( 0.000 -2.044 -2.246) 3.037 3.205 ( 0.000 3.435 5.993) 6.908 3.242 ( 0.000 -3.881 -5.439) 6.681 3.260 ( 0.000 3.100 5.953) 6.712 3.323 ( 0.000 -1.207 0.399) 1.272 3.391 ( 0.000 4.937 -3.891) 6.286 3.401 ( 0.000 1.457 -4.834) 5.049 3.449 ( 0.000 -0.566 -4.543) 4.578 3.503 ( 0.000 -1.344 7.450) 7.570 3.596 ( 0.000 -1.663 -3.752) 4.104 3.627 ( 0.000 2.854 0.652) 2.927 3.683 ( 0.000 -2.271 -0.323) 2.294 3.702 ( 0.000 3.999 -1.215) 4.180 3.744 ( 0.000 0.575 -1.437) 1.548 3.805 ( 0.000 3.361 0.391) 3.384 3.859 ( 0.000 2.997 -1.531) 3.365 3.886 ( 0.000 -2.408 -5.427) 5.937 4.015 ( 0.000 1.504 -4.496) 4.741 4.068 ( 0.000 -4.226 -0.563) 4.263 4.101 ( 0.000 -0.891 -2.949) 3.080 4.157 ( 0.000 -2.190 8.164) 8.453 4.190 ( 0.000 -0.882 -2.841) 2.975 4.266 ( 0.000 1.786 1.847) 2.569 4.323 ( 0.000 0.424 1.224) 1.296 4.369 ( 0.000 -0.933 -0.326) 0.988 4.377 ( 0.000 0.727 -2.444) 2.550 4.437 ( 0.000 0.720 -0.437) 0.842 4.442 ( 0.000 -1.936 3.693) 4.170 4.458 ( 0.000 -0.216 4.061) 4.066 4.527 ( 0.000 -0.749 10.915) 10.941 4.543 ( 0.000 -2.733 3.785) 4.669 4.545 ( 0.000 -1.046 -2.719) 2.913 4.685 ( 0.000 -0.070 12.325) 12.325 4.732 ( 0.000 -5.284 6.218) 8.160 4.756 ( 0.000 -1.929 -7.156) 7.411 4.816 ( 0.000 5.604 -3.258) 6.482 4.854 ( 0.000 -3.940 -4.648) 6.093 4.955 ( 0.000 7.246 2.026) 7.524 4.963 ( 0.000 4.975 1.000) 5.075 5.062 ( 0.000 2.158 -5.521) 5.928 5.097 ( 0.000 -4.613 -0.671) 4.662 5.160 ( 0.000 -6.296 4.724) 7.872 5.239 ( 0.000 -0.332 0.396) 0.517 5.262 ( 0.000 5.630 -7.384) 9.286 5.287 ( 0.000 -2.064 -2.857) 3.525 5.333 ( 0.000 -5.610 0.443) 5.627 5.339 ( 0.000 0.489 3.124) 3.162 5.385 ( 0.000 -8.501 0.235) 8.504 5.409 ( 0.000 -0.987 -8.000) 8.061 5.512 ( 0.000 0.850 -5.917) 5.978 5.525 ( 0.000 -5.155 0.994) 5.250 5.568 ( 0.000 5.169 -7.582) 9.176 5.578 ( 0.000 1.255 3.058) 3.306 5.602 ( 0.000 -4.174 2.189) 4.713 5.729 ( 0.000 0.504 -3.156) 3.196 5.864 ( 0.000 2.478 3.686) 4.442 5.869 ( 0.000 1.265 5.613) 5.754 5.941 ( 0.000 1.922 -0.893) 2.120 6.019 ( 0.000 0.801 -2.087) 2.235 6.279 ( 0.000 -1.828 1.791) 2.560 6.349 ( 0.000 2.030 -1.272) 2.396 6.497 ( 0.000 -8.818 6.970) 11.240 6.616 ( 0.000 -5.656 -1.120) 5.766 6.978 ( 0.000 -1.068 3.408) 3.572 7.082 ( 0.000 2.124 -2.191) 3.052 7.178 ( 0.000 0.113 1.469) 1.473 7.186 ( 0.000 -1.263 0.699) 1.444 7.235 ( 0.000 -0.563 2.419) 2.483 7.273 ( 0.000 -1.716 -2.099) 2.711 7.275 ( 0.000 1.445 -4.033) 4.284 7.334 ( 0.000 -0.956 -1.595) 1.859 7.880 ( 0.000 1.255 2.521) 2.816 8.002 ( 0.000 1.625 -2.232) 2.761 8.058 ( 0.000 4.403 1.359) 4.609 8.094 ( 0.000 4.671 1.074) 4.793 8.161 ( 0.000 3.461 -3.485) 4.911 8.174 ( 0.000 6.123 -1.905) 6.413 8.625 ( 0.000 5.959 2.231) 6.363 8.639 ( 0.000 -3.337 1.269) 3.570 8.707 ( 0.000 -2.647 -1.358) 2.975 8.722 ( 0.000 5.565 -2.121) 5.955 8.931 ( 0.000 0.987 6.783) 6.855 9.236 ( 0.000 3.234 3.764) 4.962 9.249 ( 0.000 4.169 -8.524) 9.489 9.396 ( 0.000 -0.828 -3.676) 3.769 9.400 ( 0.000 -2.326 4.088) 4.703 9.543 ( 0.000 3.518 -9.108) 9.764 9.581 ( 0.000 -1.012 4.417) 4.531 9.717 ( 0.000 0.716 0.586) 0.926 9.738 ( 0.000 2.611 1.779) 3.159 9.773 ( 0.000 2.509 -2.228) 3.355 9.809 ( 0.000 -0.638 3.435) 3.493 10.081 ( 0.000 -10.486 3.889) 11.184 10.267 ( 0.000 -9.902 -11.552) 15.215 10.372 ( 0.000 -6.205 -6.010) 8.639 10.400 ( 0.000 -7.159 1.865) 7.398 10.505 ( 0.000 -6.436 -4.376) 7.783 10.661 ( 0.000 -6.625 3.172) 7.345 10.739 ( 0.000 -4.972 0.480) 4.995 10.762 ( 0.000 -19.519 1.511) 19.577 10.775 ( 0.000 -3.423 0.298) 3.436 10.978 ( 0.000 -13.729 21.056) 25.137 11.100 ( 0.000 -3.505 1.822) 3.950 11.241 ( 0.000 -2.994 -3.926) 4.937 11.482 ( 0.000 2.923 13.863) 14.168 11.513 ( 0.000 -4.653 -8.951) 10.088 11.759 ( 0.000 -0.917 2.335) 2.508 11.855 ( 0.000 3.272 -2.038) 3.855 12.052 ( 0.000 -3.118 -14.032) 14.374 12.076 ( 0.000 6.810 10.536) 12.545 12.158 ( 0.000 14.905 5.700) 15.958 12.438 ( 0.000 2.717 -3.512) 4.440 12.469 ( 0.000 -2.909 -5.982) 6.651 12.560 ( 0.000 10.574 3.581) 11.164 12.678 ( 0.000 11.314 0.009) 11.314 12.844 ( 0.000 3.805 -0.301) 3.817 13.062 ( 0.000 9.265 -16.045) 18.528 13.206 ( 0.000 -4.622 -0.377) 4.637 13.232 ( 0.000 1.224 -4.947) 5.096 16.400 ( 0.000 0.768 1.032) 1.286 16.440 ( 0.000 2.484 -0.710) 2.583 16.820 ( 0.000 -1.585 1.476) 2.166 16.844 ( 0.000 5.033 1.928) 5.389 16.896 ( 0.000 0.164 -1.737) 1.745 16.956 ( 0.000 1.746 -3.803) 4.185 17.042 ( 0.000 -7.208 9.966) 12.299 17.119 ( 0.000 -1.130 5.076) 5.200 17.214 ( 0.000 -2.914 -2.124) 3.606 17.283 ( 0.000 -1.562 -2.886) 3.282 17.970 ( 0.000 -9.154 1.412) 9.262 18.005 ( 0.000 -8.152 0.464) 8.165 18.855 ( 0.000 0.701 2.052) 2.169 18.959 ( 0.000 0.938 -3.093) 3.233 19.028 ( 0.000 -1.485 1.469) 2.089 19.094 ( 0.000 -0.961 -1.404) 1.701 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 17.553 14.432 10.432) 25.005 1.032 ( 15.383 20.566 13.815) 29.163 1.487 ( 4.928 12.104 -2.263) 13.264 1.504 ( -0.839 11.289 -1.634) 11.437 1.575 ( 5.826 16.285 5.793) 18.241 1.647 ( -0.207 11.971 -5.284) 13.087 1.697 ( 3.576 10.949 3.910) 12.164 1.750 ( -1.023 5.941 -6.590) 8.931 1.870 ( -7.744 5.199 -3.750) 10.053 1.920 ( -3.279 12.055 -2.373) 12.716 1.944 ( -2.975 11.538 2.521) 12.179 2.016 ( -6.249 8.891 3.184) 11.325 2.094 ( -3.095 3.123 8.622) 9.678 2.181 ( -9.832 2.449 5.522) 11.540 2.245 ( -7.206 5.622 2.752) 9.544 2.261 ( -9.663 5.431 0.781) 11.112 2.340 ( -8.463 5.554 -0.899) 10.162 2.406 ( -0.667 1.511 4.417) 4.715 2.512 ( 4.734 0.184 -2.311) 5.271 2.531 ( 4.852 -0.585 -2.505) 5.492 2.594 ( 7.708 0.848 -5.220) 9.348 2.656 ( 1.451 3.052 0.927) 3.504 2.661 ( 1.592 2.836 2.284) 3.974 2.718 ( 1.058 3.492 -0.039) 3.648 2.740 ( -1.064 4.120 -0.832) 4.336 2.804 ( 2.318 0.715 -2.078) 3.194 2.891 ( 5.575 0.731 -1.307) 5.772 2.894 ( -3.349 1.348 -2.483) 4.382 2.955 ( -0.506 0.284 -2.180) 2.256 3.025 ( -0.478 2.220 3.318) 4.021 3.040 ( -1.772 2.963 -2.179) 4.083 3.085 ( -1.065 3.461 0.836) 3.716 3.116 ( 0.190 1.491 1.105) 1.866 3.131 ( -2.973 0.538 -2.209) 3.743 3.176 ( -1.505 0.539 -0.840) 1.805 3.200 ( -2.816 0.771 -2.215) 3.665 3.267 ( 3.878 3.066 -6.840) 8.440 3.296 ( 1.133 -0.730 2.058) 2.461 3.336 ( -3.860 3.496 -6.731) 8.511 3.358 ( 0.582 5.493 0.878) 5.593 3.525 ( 5.653 0.158 3.960) 6.904 3.589 ( 3.372 0.611 -3.722) 5.059 3.603 ( 4.642 -0.861 -0.768) 4.783 3.654 ( -0.705 0.270 1.154) 1.379 3.699 ( -1.359 -1.847 3.754) 4.400 3.786 ( 3.184 -1.115 0.802) 3.467 3.796 ( 4.544 1.027 -1.597) 4.925 3.822 ( 6.879 -2.508 0.940) 7.382 3.884 ( 1.185 -1.201 -1.428) 2.210 3.980 ( 1.636 -0.528 -3.419) 3.827 3.987 ( 2.961 2.089 -0.691) 3.689 4.002 ( -1.265 -2.809 -3.129) 4.391 4.126 ( -0.968 -1.493 -1.181) 2.135 4.167 ( -2.560 -1.130 0.191) 2.805 4.186 ( -2.756 -4.337 0.845) 5.208 4.227 ( 0.250 1.460 -3.477) 3.779 4.294 ( 0.625 -0.264 2.912) 2.990 4.362 ( -4.813 -0.821 2.240) 5.372 4.414 ( -0.607 -0.898 2.328) 2.568 4.426 ( 4.278 1.073 -1.181) 4.566 4.449 ( 3.269 -2.711 1.593) 4.536 4.498 ( -0.095 -4.293 1.496) 4.547 4.519 ( -1.699 -2.180 0.163) 2.768 4.574 ( -2.281 3.014 0.694) 3.843 4.599 ( 1.549 0.996 4.026) 4.427 4.613 ( 4.659 0.507 2.550) 5.335 4.666 ( -3.414 -0.495 4.960) 6.042 4.719 ( 1.407 -1.109 0.093) 1.794 4.829 ( -4.501 -1.146 -1.054) 4.763 4.872 ( -2.919 3.292 -4.321) 6.167 4.909 ( 2.431 1.136 -0.572) 2.743 4.972 ( -3.941 -1.028 -1.886) 4.488 4.996 ( -2.005 1.929 -2.672) 3.858 5.033 ( -7.149 1.469 -3.628) 8.150 5.140 ( -2.492 1.890 -1.507) 3.472 5.145 ( -3.337 -1.087 1.378) 3.771 5.206 ( -2.489 -1.885 -0.946) 3.263 5.248 ( -3.827 -2.951 3.202) 5.797 5.335 ( 1.243 -2.407 0.503) 2.755 5.350 ( 1.717 0.277 0.889) 1.953 5.387 ( 1.021 -3.018 -0.862) 3.301 5.445 ( -4.207 2.976 1.676) 5.419 5.495 ( 2.357 -1.490 -2.771) 3.931 5.524 ( 1.365 -4.437 0.335) 4.654 5.648 ( 3.378 -4.472 0.927) 5.681 5.666 ( 5.935 -1.068 -2.523) 6.536 5.686 ( 2.151 -2.147 3.444) 4.593 5.739 ( 0.361 -0.237 2.046) 2.091 5.833 ( 3.379 2.329 -1.297) 4.304 5.890 ( 1.375 -2.921 -1.586) 3.597 5.962 ( -0.199 1.133 0.617) 1.305 6.036 ( 0.646 1.503 -2.137) 2.691 6.283 ( 1.039 -0.878 1.603) 2.103 6.355 ( 0.824 1.687 -1.490) 2.397 6.435 ( -4.285 -4.589 4.248) 7.581 6.544 ( -6.054 -3.297 -1.108) 6.982 6.984 ( 1.188 1.183 1.931) 2.557 7.058 ( 0.780 2.170 -1.977) 3.038 7.114 ( -3.562 -0.557 0.916) 3.720 7.181 ( -1.946 0.279 -2.086) 2.866 7.227 ( 1.040 -0.098 1.327) 1.689 7.261 ( -0.266 -0.439 2.387) 2.442 7.305 ( 0.720 0.005 -2.270) 2.382 7.338 ( -0.033 -0.429 -0.963) 1.055 7.985 ( 3.530 1.829 1.191) 4.150 8.020 ( 0.853 3.047 1.751) 3.616 8.067 ( 0.102 5.419 -1.353) 5.587 8.132 ( -2.073 3.566 -2.447) 4.796 8.254 ( 13.046 0.909 1.151) 13.128 8.371 ( 12.086 -1.577 -5.070) 13.201 8.618 ( -0.788 2.563 0.439) 2.717 8.656 ( -2.678 0.398 -1.037) 2.899 8.720 ( 3.338 1.331 0.641) 3.650 8.752 ( 3.901 0.328 -0.119) 3.917 8.879 ( -3.684 1.388 5.325) 6.622 9.119 ( -8.737 6.095 -6.198) 12.325 9.360 ( 7.887 -0.380 3.872) 8.795 9.401 ( -0.211 -1.924 2.498) 3.160 9.429 ( -0.873 -2.114 2.585) 3.452 9.506 ( -5.403 -1.305 2.398) 6.054 9.559 ( -1.144 -2.642 -0.748) 2.974 9.623 ( 3.672 0.233 -2.320) 4.350 9.756 ( 1.915 1.406 1.102) 2.619 9.828 ( 4.944 -0.473 -7.211) 8.756 9.962 ( -2.503 -3.193 -3.033) 5.065 10.010 ( 3.757 1.735 7.082) 8.203 10.121 ( -5.895 -10.204 -8.872) 14.751 10.333 ( -6.452 -3.169 4.131) 8.291 10.471 ( -1.200 -7.811 -6.144) 10.011 10.484 ( 1.221 -6.888 -2.356) 7.382 10.659 ( -9.949 -8.647 2.724) 13.461 10.707 ( 1.034 -6.188 -0.731) 6.317 10.750 ( 6.656 -8.035 -0.012) 10.434 10.817 ( 4.532 -13.012 0.959) 13.812 11.030 ( -1.374 -6.098 2.891) 6.887 11.107 ( 1.408 -6.947 0.978) 7.155 11.281 ( 4.457 -1.236 2.638) 5.325 11.451 ( 0.139 2.690 7.507) 7.976 11.555 ( 1.841 -4.221 -5.752) 7.368 11.687 ( -5.713 -4.660 -2.427) 7.762 11.855 ( -0.365 1.263 2.125) 2.499 11.992 ( -3.933 8.458 0.301) 9.333 12.091 ( -3.175 12.183 5.123) 13.592 12.173 ( 1.357 12.981 6.210) 14.454 12.279 ( -5.670 5.781 -3.665) 8.888 12.438 ( -2.293 2.281 1.376) 3.515 12.497 ( -0.441 5.165 -5.906) 7.858 12.590 ( -4.790 11.226 -2.512) 12.461 13.019 ( 9.137 -1.310 0.853) 9.270 13.143 ( 3.768 -2.373 -5.544) 7.111 13.209 ( -0.059 -4.106 -0.348) 4.121 13.234 ( -0.166 0.197 -3.361) 3.371 16.477 ( 5.057 1.385 0.937) 5.326 16.576 ( 9.361 -1.478 -5.783) 11.102 16.734 ( -5.232 1.107 2.065) 5.732 16.849 ( -3.762 -0.143 -3.015) 4.823 16.906 ( 2.916 1.855 1.051) 3.612 16.954 ( 0.553 0.253 0.256) 0.659 17.016 ( -1.942 -2.622 3.768) 4.985 17.072 ( -3.416 -0.403 0.970) 3.574 17.312 ( 7.320 -3.415 1.754) 8.266 17.375 ( 7.530 -4.759 0.896) 8.952 17.802 ( -11.621 -3.177 2.868) 12.384 17.884 ( -9.346 -6.670 -1.022) 11.527 18.890 ( 2.874 0.391 1.849) 3.440 18.978 ( 1.909 0.533 -2.137) 2.914 19.011 ( -1.560 -1.091 1.495) 2.420 19.078 ( -1.499 -0.813 -1.382) 2.195 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -12.694 10.380 4.793) 17.084 1.332 ( 12.694 10.380 4.793) 17.084 1.398 ( -11.681 14.038 6.692) 19.450 1.398 ( 11.681 14.038 6.692) 19.450 1.607 ( -9.064 6.245 -5.521) 12.314 1.607 ( 9.064 6.245 -5.521) 12.314 1.665 ( -1.945 14.154 -5.380) 15.266 1.665 ( 1.945 14.154 -5.380) 15.266 1.840 ( -2.260 8.453 2.686) 9.153 1.840 ( 2.260 8.453 2.686) 9.153 2.010 ( -8.432 10.173 -6.552) 14.749 2.010 ( 8.432 10.173 -6.552) 14.749 2.048 ( -2.184 3.761 4.054) 5.946 2.048 ( 2.184 3.761 4.054) 5.946 2.166 ( -2.622 5.545 -1.005) 6.216 2.166 ( 2.622 5.545 -1.005) 6.216 2.341 ( -12.700 7.237 12.731) 19.384 2.341 ( 12.700 7.237 12.731) 19.384 2.619 ( -5.086 1.540 2.567) 5.902 2.619 ( 5.086 1.540 2.567) 5.902 2.643 ( -5.928 -0.287 1.524) 6.128 2.643 ( 5.928 -0.287 1.524) 6.128 2.705 ( -1.226 1.968 1.616) 2.826 2.705 ( 1.226 1.968 1.616) 2.826 2.758 ( -1.740 1.563 -3.271) 4.021 2.758 ( 1.740 1.563 -3.271) 4.021 2.876 ( -6.030 1.351 -4.577) 7.690 2.876 ( 6.030 1.351 -4.577) 7.690 2.920 ( -6.444 1.109 -0.535) 6.560 2.920 ( 6.444 1.109 -0.535) 6.560 3.048 ( -2.347 1.564 -1.399) 3.149 3.048 ( 2.347 1.564 -1.399) 3.149 3.086 ( -1.765 3.894 2.102) 4.764 3.086 ( 1.765 3.894 2.102) 4.764 3.209 ( -3.629 2.047 -0.696) 4.224 3.209 ( 3.629 2.047 -0.696) 4.224 3.275 ( -1.678 3.830 -4.113) 5.865 3.275 ( 1.678 3.830 -4.113) 5.865 3.467 ( -9.995 0.251 -11.028) 14.885 3.467 ( 9.995 0.251 -11.028) 14.885 3.528 ( -7.177 0.643 3.645) 8.075 3.528 ( 7.177 0.643 3.645) 8.075 3.632 ( -4.843 1.027 8.609) 9.931 3.632 ( 4.843 1.027 8.609) 9.931 3.778 ( -5.259 -0.176 1.117) 5.380 3.778 ( 5.259 -0.176 1.117) 5.380 3.875 ( -3.775 -4.168 -1.350) 5.784 3.875 ( 3.775 -4.168 -1.350) 5.784 3.985 ( -5.155 -3.080 -0.195) 6.008 3.985 ( 5.155 -3.080 -0.195) 6.008 4.044 ( -3.408 -0.917 -2.586) 4.375 4.044 ( 3.408 -0.917 -2.586) 4.375 4.111 ( -0.590 -1.838 -3.408) 3.917 4.111 ( 0.590 -1.838 -3.408) 3.917 4.172 ( -6.270 0.208 -3.099) 6.997 4.172 ( 6.270 0.208 -3.099) 6.997 4.265 ( -3.449 -3.521 5.024) 7.038 4.265 ( 3.449 -3.521 5.024) 7.038 4.414 ( -3.486 -0.568 -1.456) 3.820 4.414 ( 3.486 -0.568 -1.456) 3.820 4.505 ( -0.509 -3.918 0.113) 3.952 4.505 ( 0.509 -3.918 0.113) 3.952 4.583 ( -2.358 0.330 -2.937) 3.781 4.583 ( 2.358 0.330 -2.937) 3.781 4.626 ( -5.001 0.709 1.977) 5.424 4.626 ( 5.001 0.709 1.977) 5.424 4.717 ( -2.102 1.038 -0.225) 2.356 4.717 ( 2.102 1.038 -0.225) 2.356 4.790 ( -2.334 5.676 -1.012) 6.220 4.790 ( 2.334 5.676 -1.012) 6.220 4.863 ( -2.729 3.598 -2.171) 5.011 4.863 ( 2.729 3.598 -2.171) 5.011 5.007 ( -3.888 -3.333 0.575) 5.153 5.007 ( 3.888 -3.333 0.575) 5.153 5.089 ( -4.548 1.321 -1.463) 4.957 5.089 ( 4.548 1.321 -1.463) 4.957 5.202 ( -5.276 0.113 7.333) 9.034 5.202 ( 5.276 0.113 7.333) 9.034 5.321 ( -4.026 -3.970 -0.033) 5.654 5.321 ( 4.026 -3.970 -0.033) 5.654 5.403 ( -1.276 -0.868 3.121) 3.482 5.403 ( 1.276 -0.868 3.121) 3.482 5.543 ( -1.773 -4.328 -2.389) 5.252 5.543 ( 1.773 -4.328 -2.389) 5.252 5.698 ( -0.781 -2.295 2.005) 3.146 5.698 ( 0.781 -2.295 2.005) 3.146 5.745 ( -1.345 -0.172 1.696) 2.171 5.745 ( 1.345 -0.172 1.696) 2.171 5.905 ( -3.560 0.067 -0.689) 3.627 5.905 ( 3.560 0.067 -0.689) 3.627 5.992 ( -4.312 -1.663 -3.830) 6.003 5.992 ( 4.312 -1.663 -3.830) 6.003 6.340 ( -3.651 -1.596 1.995) 4.456 6.340 ( 3.651 -1.596 1.995) 4.456 6.414 ( -4.470 1.113 -1.381) 4.809 6.414 ( 4.470 1.113 -1.381) 4.809 7.034 ( -3.344 0.668 1.457) 3.709 7.034 ( 3.344 0.668 1.457) 3.709 7.122 ( -3.605 0.202 -2.814) 4.578 7.122 ( 3.605 0.202 -2.814) 4.578 7.250 ( -0.871 -0.544 1.946) 2.200 7.250 ( 0.871 -0.544 1.946) 2.200 7.323 ( -1.109 0.571 -1.297) 1.800 7.323 ( 1.109 0.571 -1.297) 1.800 8.028 ( -0.490 3.356 1.516) 3.715 8.028 ( 0.490 3.356 1.516) 3.715 8.084 ( -1.836 4.791 -0.891) 5.208 8.084 ( 1.836 4.791 -0.891) 5.208 8.519 ( -8.912 0.459 0.105) 8.924 8.519 ( 8.912 0.459 0.105) 8.924 8.559 ( -4.665 -0.721 -1.422) 4.930 8.559 ( 4.665 -0.721 -1.422) 4.930 8.804 ( -3.400 0.544 2.049) 4.007 8.804 ( 3.400 0.544 2.049) 4.007 8.902 ( -9.708 3.303 -1.865) 10.423 8.902 ( 9.708 3.303 -1.865) 10.423 9.399 ( -1.990 -0.975 1.797) 2.853 9.399 ( 1.990 -0.975 1.797) 2.853 9.445 ( -0.690 -2.392 1.971) 3.175 9.445 ( 0.690 -2.392 1.971) 3.175 9.631 ( -5.791 -4.029 2.269) 7.411 9.631 ( 5.791 -4.029 2.269) 7.411 9.813 ( -1.410 1.823 0.128) 2.308 9.813 ( 1.410 1.823 0.128) 2.308 10.017 ( -3.536 -5.292 -7.025) 9.479 10.017 ( 3.536 -5.292 -7.025) 9.479 10.158 ( -7.735 -1.033 -5.396) 9.487 10.158 ( 7.735 -1.033 -5.396) 9.487 10.412 ( -4.779 -6.751 8.400) 11.788 10.412 ( 4.779 -6.751 8.400) 11.788 10.674 ( -5.822 -6.836 -6.608) 11.149 10.674 ( 5.822 -6.836 -6.608) 11.149 10.869 ( -5.879 -13.184 4.507) 15.123 10.869 ( 5.879 -13.184 4.507) 15.123 11.033 ( -7.482 -1.629 -3.352) 8.359 11.033 ( 7.482 -1.629 -3.352) 8.359 11.435 ( -6.012 0.616 2.492) 6.537 11.435 ( 6.012 0.616 2.492) 6.537 11.580 ( -2.078 -4.717 -4.935) 7.137 11.580 ( 2.078 -4.717 -4.935) 7.137 11.871 ( -3.543 4.977 9.031) 10.904 11.871 ( 3.543 4.977 9.031) 10.904 12.104 ( -2.901 14.162 2.199) 14.622 12.104 ( 2.901 14.162 2.199) 14.622 12.357 ( -5.587 4.113 -1.368) 7.071 12.357 ( 5.587 4.113 -1.368) 7.071 12.509 ( -1.888 6.483 -4.494) 8.111 12.509 ( 1.888 6.483 -4.494) 8.111 13.161 ( -3.474 -4.185 0.590) 5.471 13.161 ( 3.474 -4.185 0.590) 5.471 13.214 ( -1.464 -2.635 -1.898) 3.562 13.214 ( 1.464 -2.635 -1.898) 3.562 16.606 ( -6.283 1.178 1.965) 6.688 16.606 ( 6.283 1.178 1.965) 6.688 16.744 ( -6.004 -1.132 -5.251) 8.056 16.744 ( 6.004 -1.132 -5.251) 8.056 16.962 ( -1.635 -0.134 2.056) 2.630 16.962 ( 1.635 -0.134 2.056) 2.630 17.000 ( -2.356 0.593 -0.053) 2.430 17.000 ( 2.356 0.593 -0.053) 2.430 17.477 ( -4.969 -5.584 5.748) 9.429 17.477 ( 4.969 -5.584 5.748) 9.429 17.673 ( -6.164 -2.795 -3.320) 7.539 17.673 ( 6.164 -2.795 -3.320) 7.539 18.960 ( -3.056 -0.304 1.583) 3.455 18.960 ( 3.056 -0.304 1.583) 3.455 19.032 ( -2.597 -0.326 -1.540) 3.037 19.032 ( 2.597 -0.326 -1.540) 3.037 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 19.916 12.148) 23.329 1.177 ( 0.000 20.834 14.660) 25.475 1.688 ( 0.000 1.953 -2.992) 3.573 1.738 ( 0.000 12.312 -1.699) 12.429 1.809 ( 0.000 5.530 -6.679) 8.672 1.841 ( 0.000 13.761 -9.042) 16.466 1.944 ( 0.000 4.068 1.767) 4.435 1.993 ( 0.000 27.733 3.299) 27.929 2.087 ( 0.000 0.971 -5.824) 5.905 2.181 ( 0.000 12.051 -1.417) 12.134 2.207 ( 0.000 19.963 6.844) 21.104 2.269 ( 0.000 6.838 7.356) 10.043 2.339 ( 0.000 4.083 0.597) 4.126 2.367 ( 0.000 7.351 1.337) 7.471 2.381 ( 0.000 4.407 1.850) 4.780 2.410 ( 0.000 9.208 0.785) 9.241 2.414 ( 0.000 -0.106 10.468) 10.469 2.493 ( 0.000 -2.896 -3.039) 4.198 2.547 ( 0.000 8.982 -2.740) 9.391 2.644 ( 0.000 4.313 -0.786) 4.384 2.657 ( 0.000 10.378 -2.136) 10.595 2.723 ( 0.000 5.146 -8.575) 10.001 2.755 ( 0.000 5.139 -1.237) 5.286 2.756 ( 0.000 8.244 1.674) 8.413 2.843 ( 0.000 0.126 -3.558) 3.560 2.843 ( 0.000 10.637 1.321) 10.718 2.849 ( 0.000 6.981 0.125) 6.982 2.931 ( 0.000 -1.943 1.480) 2.443 3.015 ( 0.000 -4.322 2.452) 4.970 3.021 ( 0.000 8.820 -0.153) 8.822 3.084 ( 0.000 -0.852 -0.154) 0.866 3.123 ( 0.000 -3.917 1.133) 4.077 3.139 ( 0.000 11.350 -5.542) 12.631 3.192 ( 0.000 9.542 -3.628) 10.208 3.193 ( 0.000 2.133 0.894) 2.313 3.228 ( 0.000 1.244 9.098) 9.183 3.237 ( 0.000 -3.846 1.148) 4.013 3.368 ( 0.000 6.313 -0.447) 6.329 3.408 ( 0.000 -2.154 -5.651) 6.047 3.441 ( 0.000 -1.387 9.954) 10.050 3.513 ( 0.000 7.753 -3.268) 8.413 3.534 ( 0.000 4.135 -2.867) 5.031 3.584 ( 0.000 0.846 -3.387) 3.491 3.629 ( 0.000 -2.860 3.072) 4.197 3.692 ( 0.000 4.724 3.209) 5.710 3.721 ( 0.000 -2.825 -1.233) 3.082 3.809 ( 0.000 6.573 0.418) 6.586 3.821 ( 0.000 -3.892 -3.519) 5.247 3.863 ( 0.000 0.453 0.291) 0.538 3.926 ( 0.000 3.765 -7.421) 8.321 3.974 ( 0.000 -5.753 -3.597) 6.785 4.024 ( 0.000 2.755 -2.146) 3.492 4.097 ( 0.000 -2.868 -5.697) 6.378 4.156 ( 0.000 6.793 -1.331) 6.923 4.184 ( 0.000 0.507 2.453) 2.505 4.282 ( 0.000 -1.745 1.364) 2.215 4.288 ( 0.000 -5.287 1.702) 5.555 4.312 ( 0.000 -4.494 0.222) 4.500 4.319 ( 0.000 -4.013 1.712) 4.363 4.427 ( 0.000 0.013 -1.069) 1.069 4.449 ( 0.000 1.781 -0.791) 1.949 4.473 ( 0.000 -0.986 0.031) 0.987 4.506 ( 0.000 3.236 -3.725) 4.934 4.529 ( 0.000 -0.021 3.786) 3.786 4.609 ( 0.000 -7.046 -0.240) 7.050 4.641 ( 0.000 6.891 6.935) 9.777 4.664 ( 0.000 -5.851 -0.763) 5.901 4.703 ( 0.000 2.032 14.800) 14.939 4.802 ( 0.000 -2.668 2.242) 3.485 4.925 ( 0.000 2.985 -7.003) 7.613 4.967 ( 0.000 -4.358 5.989) 7.406 5.016 ( 0.000 -2.782 0.447) 2.818 5.048 ( 0.000 0.648 4.846) 4.889 5.082 ( 0.000 0.394 3.023) 3.049 5.110 ( 0.000 -8.275 0.869) 8.320 5.146 ( 0.000 -3.252 -2.769) 4.271 5.204 ( 0.000 -4.731 -2.061) 5.160 5.217 ( 0.000 -7.298 0.972) 7.362 5.274 ( 0.000 -1.523 -4.555) 4.803 5.297 ( 0.000 0.778 -1.835) 1.993 5.337 ( 0.000 -2.345 -8.693) 9.003 5.364 ( 0.000 -7.221 -3.714) 8.120 5.426 ( 0.000 1.738 -1.529) 2.314 5.467 ( 0.000 -9.300 -3.198) 9.834 5.527 ( 0.000 0.903 -3.269) 3.391 5.606 ( 0.000 0.401 4.267) 4.286 5.628 ( 0.000 1.811 -5.016) 5.333 5.738 ( 0.000 -0.245 -2.877) 2.887 5.855 ( 0.000 -2.056 8.034) 8.293 5.914 ( 0.000 2.406 3.203) 4.006 5.987 ( 0.000 2.203 0.021) 2.203 6.041 ( 0.000 0.885 -2.088) 2.268 6.237 ( 0.000 -2.503 4.508) 5.157 6.364 ( 0.000 -5.516 4.284) 6.984 6.382 ( 0.000 0.942 -2.348) 2.530 6.492 ( 0.000 -6.547 -2.064) 6.865 7.007 ( 0.000 3.121 1.855) 3.630 7.099 ( 0.000 -0.482 -2.225) 2.276 7.152 ( 0.000 -2.060 0.058) 2.061 7.194 ( 0.000 1.220 0.998) 1.577 7.209 ( 0.000 -2.932 -2.093) 3.603 7.248 ( 0.000 0.035 2.480) 2.481 7.258 ( 0.000 -1.413 -0.907) 1.679 7.317 ( 0.000 -0.664 -0.362) 0.756 7.937 ( 0.000 4.555 2.322) 5.113 8.039 ( 0.000 2.782 -0.975) 2.947 8.181 ( 0.000 7.602 0.840) 7.648 8.204 ( 0.000 6.281 0.601) 6.310 8.236 ( 0.000 3.541 -1.522) 3.854 8.318 ( 0.000 7.904 -3.493) 8.641 8.548 ( 0.000 -6.073 2.012) 6.398 8.643 ( 0.000 -3.773 -1.958) 4.251 8.778 ( 0.000 9.324 2.723) 9.714 8.862 ( 0.000 8.400 -1.108) 8.473 8.967 ( 0.000 1.953 6.363) 6.656 9.256 ( 0.000 -2.056 -2.602) 3.316 9.293 ( 0.000 1.872 1.855) 2.636 9.350 ( 0.000 -2.373 1.735) 2.939 9.398 ( 0.000 0.988 -2.101) 2.322 9.538 ( 0.000 -3.036 3.220) 4.426 9.543 ( 0.000 -3.527 -13.020) 13.489 9.720 ( 0.000 -0.856 0.293) 0.905 9.732 ( 0.000 -2.848 -5.332) 6.045 9.760 ( 0.000 -3.405 -3.085) 4.595 9.836 ( 0.000 2.006 6.243) 6.557 9.952 ( 0.000 -2.959 6.375) 7.028 10.070 ( 0.000 -9.608 -3.341) 10.172 10.169 ( 0.000 -10.999 -0.414) 11.007 10.274 ( 0.000 -5.428 2.158) 5.841 10.388 ( 0.000 -4.403 -3.929) 5.901 10.396 ( 0.000 -14.788 7.929) 16.780 10.552 ( 0.000 -6.698 5.721) 8.809 10.672 ( 0.000 1.331 -8.438) 8.542 10.766 ( 0.000 -10.086 12.784) 16.283 10.801 ( 0.000 3.605 -5.950) 6.957 11.008 ( 0.000 -4.977 4.333) 6.598 11.226 ( 0.000 0.662 -8.030) 8.058 11.369 ( 0.000 -9.692 -14.655) 17.570 11.588 ( 0.000 6.588 11.719) 13.444 11.718 ( 0.000 -4.902 7.673) 9.105 11.866 ( 0.000 -2.813 -0.782) 2.919 12.047 ( 0.000 3.126 -12.245) 12.638 12.073 ( 0.000 -7.099 9.016) 11.476 12.384 ( 0.000 -3.764 -5.977) 7.063 12.399 ( 0.000 7.521 3.975) 8.506 12.536 ( 0.000 8.967 -1.990) 9.185 12.756 ( 0.000 9.582 5.271) 10.936 12.934 ( 0.000 13.623 -2.520) 13.854 12.935 ( 0.000 3.245 1.332) 3.508 12.980 ( 0.000 -8.390 0.715) 8.420 13.091 ( 0.000 -5.863 0.963) 5.942 13.334 ( 0.000 3.871 -11.648) 12.275 16.435 ( 0.000 2.871 1.734) 3.354 16.497 ( 0.000 3.509 -1.035) 3.659 16.777 ( 0.000 -3.039 2.052) 3.667 16.870 ( 0.000 -3.474 -0.846) 3.576 16.962 ( 0.000 -1.375 5.614) 5.780 16.967 ( 0.000 5.174 0.963) 5.263 16.995 ( 0.000 3.789 -0.333) 3.804 17.116 ( 0.000 1.727 2.278) 2.858 17.146 ( 0.000 -3.429 -1.769) 3.859 17.243 ( 0.000 -2.349 -3.011) 3.818 17.779 ( 0.000 -10.888 -0.064) 10.888 17.815 ( 0.000 -11.030 -0.117) 11.031 18.871 ( 0.000 0.833 1.863) 2.041 18.971 ( 0.000 0.501 -2.709) 2.755 18.990 ( 0.000 -2.271 1.689) 2.830 19.068 ( 0.000 -1.693 -1.673) 2.380 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 11.159 17.471 6.053) 21.597 1.410 ( 14.644 17.647 12.631) 26.180 1.627 ( -1.915 4.927 -7.730) 9.365 1.712 ( -3.359 5.609 1.081) 6.627 1.797 ( 2.779 12.612 1.543) 13.007 1.875 ( -5.841 6.305 -3.560) 9.304 1.937 ( -2.624 6.194 -0.299) 6.733 1.995 ( 1.806 11.344 -8.406) 14.234 2.079 ( 2.756 16.516 -0.284) 16.746 2.139 ( -3.908 6.074 4.610) 8.568 2.141 ( -8.613 11.249 5.696) 15.269 2.194 ( -5.257 6.842 2.689) 9.038 2.264 ( -5.442 16.175 -0.686) 17.080 2.313 ( -4.346 4.781 2.347) 6.874 2.354 ( -0.934 7.269 2.380) 7.705 2.396 ( -0.795 10.482 1.816) 10.668 2.456 ( -6.477 7.816 -4.403) 11.065 2.485 ( -0.779 10.464 1.186) 10.560 2.513 ( 3.702 0.732 0.673) 3.833 2.553 ( 6.787 4.422 1.280) 8.201 2.634 ( 0.150 5.772 -0.606) 5.806 2.721 ( 1.194 4.181 -0.051) 4.348 2.807 ( 3.300 4.892 -2.066) 6.252 2.817 ( -1.615 6.956 -1.953) 7.403 2.834 ( 1.037 5.728 -0.128) 5.823 2.864 ( 0.653 4.378 -3.440) 5.606 2.894 ( -0.851 2.105 0.014) 2.270 2.910 ( 0.638 0.361 0.650) 0.980 3.004 ( 1.353 4.911 -2.550) 5.697 3.073 ( 1.237 4.942 6.594) 8.333 3.089 ( -2.092 0.631 -0.074) 2.186 3.121 ( -3.436 4.925 0.301) 6.013 3.164 ( 0.180 0.531 -1.317) 1.431 3.193 ( -1.056 0.464 1.626) 1.994 3.200 ( 0.104 2.975 0.818) 3.088 3.239 ( 5.464 2.959 0.476) 6.232 3.278 ( 1.508 2.458 0.679) 2.962 3.332 ( -0.402 3.084 -3.400) 4.608 3.442 ( -0.775 5.894 -4.223) 7.292 3.469 ( 3.434 4.624 4.446) 7.276 3.525 ( 2.267 0.944 -4.564) 5.183 3.587 ( 1.923 1.825 -5.101) 5.748 3.599 ( 2.773 -1.113 1.128) 3.193 3.673 ( -1.532 2.332 0.518) 2.838 3.691 ( 2.930 0.870 3.409) 4.578 3.759 ( -0.319 -2.896 -0.313) 2.931 3.775 ( 6.964 0.161 1.497) 7.124 3.808 ( -0.071 -1.541 2.123) 2.624 3.879 ( -0.033 2.806 -4.447) 5.258 3.918 ( -1.113 -3.628 -3.084) 4.890 3.986 ( 1.583 0.770 0.080) 1.762 4.045 ( -0.171 -3.892 -1.503) 4.175 4.077 ( -5.374 0.869 1.126) 5.559 4.139 ( 1.983 2.729 -4.030) 5.256 4.168 ( -3.301 1.561 -0.223) 3.659 4.257 ( -0.812 -3.869 3.001) 4.963 4.271 ( -4.387 -2.718 2.792) 5.868 4.312 ( 0.742 -0.684 -2.217) 2.436 4.365 ( -0.771 -2.960 -2.663) 4.056 4.371 ( -1.454 -3.749 -0.056) 4.022 4.412 ( 1.954 -1.379 -0.155) 2.397 4.491 ( 1.396 2.622 0.842) 3.088 4.501 ( -4.280 -0.329 0.424) 4.314 4.542 ( 2.256 -2.319 2.774) 4.262 4.622 ( 0.603 0.260 1.615) 1.744 4.638 ( 2.179 -2.825 -1.127) 3.742 4.683 ( 0.250 4.650 2.228) 5.162 4.729 ( 4.071 -1.111 1.640) 4.528 4.795 ( 0.530 -2.248 -1.877) 2.976 4.881 ( -0.833 -2.120 2.229) 3.187 4.916 ( -2.428 -1.825 -0.332) 3.056 4.972 ( -5.362 -1.583 -0.508) 5.614 5.006 ( -0.815 1.315 3.222) 3.574 5.050 ( -4.922 2.095 -0.255) 5.355 5.128 ( -0.724 -2.374 0.127) 2.486 5.138 ( -1.474 -2.765 -3.618) 4.786 5.178 ( -3.199 -1.080 0.783) 3.466 5.192 ( -0.907 -5.830 1.016) 5.987 5.253 ( 3.231 -2.139 3.351) 5.123 5.277 ( -1.407 -5.917 0.159) 6.084 5.346 ( -0.067 -2.681 -4.395) 5.149 5.418 ( 1.201 -4.545 0.377) 4.716 5.439 ( 0.545 -2.993 -3.198) 4.414 5.503 ( -1.955 -1.785 -3.840) 4.664 5.552 ( -0.058 -1.739 -1.925) 2.595 5.632 ( 5.010 -2.057 -2.735) 6.067 5.684 ( 2.687 1.467 4.800) 5.693 5.717 ( -0.742 -2.054 3.437) 4.072 5.815 ( 0.938 -4.410 0.201) 4.513 5.885 ( 0.031 2.363 -2.035) 3.119 5.982 ( -1.895 0.788 1.649) 2.632 6.037 ( -1.157 -1.574 -0.125) 1.958 6.272 ( 2.631 -0.532 2.877) 3.935 6.351 ( -1.331 -3.534 3.801) 5.359 6.380 ( 0.304 0.431 -2.114) 2.179 6.471 ( -1.770 -3.928 -1.509) 4.565 7.026 ( 1.290 2.940 0.977) 3.356 7.087 ( -0.336 0.561 -2.109) 2.207 7.099 ( -2.117 -0.926 0.409) 2.346 7.169 ( -2.046 -1.208 -2.797) 3.670 7.226 ( 0.677 -0.031 1.696) 1.826 7.248 ( -0.250 -0.831 2.391) 2.543 7.299 ( 2.179 -0.485 -1.199) 2.534 7.324 ( 0.478 -0.733 -0.735) 1.143 8.038 ( 5.819 3.618 1.887) 7.107 8.101 ( 2.841 4.919 0.882) 5.749 8.182 ( 0.120 6.260 -1.630) 6.470 8.216 ( -1.326 4.434 -1.489) 4.861 8.288 ( 8.595 2.611 1.565) 9.118 8.399 ( 6.723 3.742 -3.044) 8.275 8.581 ( 1.600 -5.447 1.350) 5.836 8.647 ( -1.304 -0.931 -0.761) 1.774 8.803 ( 3.125 5.268 0.899) 6.190 8.830 ( -1.518 7.892 -0.083) 8.037 8.925 ( -3.262 2.744 4.838) 6.448 9.191 ( -7.202 1.031 -5.550) 9.150 9.345 ( 3.335 -1.206 2.526) 4.354 9.364 ( 1.380 -1.637 1.132) 2.421 9.384 ( -1.645 -1.935 -0.389) 2.569 9.470 ( -4.151 -2.784 1.071) 5.112 9.515 ( -1.800 -1.647 -0.527) 2.496 9.640 ( -0.521 0.815 -4.538) 4.640 9.736 ( -5.020 -6.174 0.254) 7.961 9.773 ( 4.556 -0.516 1.660) 4.876 9.878 ( 6.710 -6.736 -3.088) 9.996 9.928 ( -6.472 -6.457 -5.599) 10.720 10.054 ( 0.819 -0.451 3.754) 3.869 10.209 ( -1.840 -13.159 1.137) 13.335 10.264 ( -1.303 -3.705 1.935) 4.378 10.355 ( -0.188 -10.436 6.545) 12.320 10.443 ( 2.658 -7.540 -3.060) 8.560 10.574 ( -0.048 -6.305 2.513) 6.787 10.647 ( -2.422 0.076 4.064) 4.731 10.684 ( -0.254 -5.669 -2.873) 6.361 10.969 ( 8.992 -1.270 -0.054) 9.082 11.017 ( 2.375 -0.160 -1.372) 2.747 11.282 ( 5.342 -1.050 -5.466) 7.715 11.407 ( 1.302 -8.040 -8.324) 11.646 11.541 ( -4.698 3.102 4.485) 7.198 11.599 ( -8.418 -4.162 1.325) 9.484 11.848 ( 1.101 -1.701 6.803) 7.098 12.110 ( 2.851 2.352 -0.174) 3.700 12.186 ( 7.641 -2.247 -1.124) 8.043 12.289 ( -5.661 1.023 -4.028) 7.022 12.436 ( -0.056 7.518 2.163) 7.823 12.513 ( -1.142 7.311 -0.164) 7.401 12.639 ( -5.955 8.332 3.654) 10.873 12.822 ( -7.074 9.765 -2.712) 12.359 13.022 ( 3.115 -5.197 0.099) 6.060 13.027 ( 4.550 0.507 0.779) 4.644 13.116 ( 1.451 -4.016 0.679) 4.324 13.272 ( -4.824 1.690 -6.901) 8.587 16.506 ( 4.937 1.679 1.220) 5.356 16.573 ( 6.433 1.271 -2.133) 6.895 16.731 ( -3.912 -1.521 2.160) 4.720 16.827 ( -3.706 -2.549 -1.424) 4.718 16.954 ( 0.165 0.628 2.202) 2.295 16.977 ( 0.785 0.807 0.401) 1.195 16.999 ( -0.141 4.323 1.615) 4.617 17.086 ( -2.091 2.314 -0.824) 3.226 17.235 ( 6.428 -4.033 1.785) 7.796 17.295 ( 4.774 -3.615 0.405) 6.002 17.687 ( -7.336 -8.446 -0.812) 11.217 17.722 ( -7.358 -9.440 -1.002) 12.010 18.898 ( 2.235 0.376 1.654) 2.806 18.982 ( -0.348 -1.327 0.710) 1.544 18.985 ( 0.757 -0.339 -1.323) 1.561 19.055 ( -1.173 -1.502 -1.553) 2.459 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -10.862 7.689 3.743) 13.824 1.510 ( 10.862 7.689 3.743) 13.824 1.719 ( -5.685 7.551 -3.084) 9.942 1.719 ( 5.685 7.551 -3.084) 9.942 1.731 ( -7.193 15.941 4.490) 18.056 1.731 ( 7.193 15.941 4.490) 18.056 1.929 ( -2.663 8.874 -0.416) 9.274 1.929 ( 2.663 8.874 -0.416) 9.274 2.029 ( -2.155 10.687 0.784) 10.930 2.029 ( 2.155 10.687 0.784) 10.930 2.169 ( -3.250 7.899 1.536) 8.679 2.169 ( 3.250 7.899 1.536) 8.679 2.237 ( -3.025 3.235 1.554) 4.694 2.237 ( 3.025 3.235 1.554) 4.694 2.267 ( -6.408 13.187 -8.497) 16.946 2.267 ( 6.408 13.187 -8.497) 16.946 2.499 ( -1.601 5.968 5.252) 8.110 2.499 ( 1.601 5.968 5.252) 8.110 2.641 ( -4.124 6.350 1.442) 7.707 2.641 ( 4.124 6.350 1.442) 7.707 2.708 ( -0.691 4.852 -0.436) 4.920 2.708 ( 0.691 4.852 -0.436) 4.920 2.814 ( -1.429 5.123 -0.224) 5.324 2.814 ( 1.429 5.123 -0.224) 5.324 2.854 ( -4.800 10.743 1.827) 11.907 2.854 ( 4.800 10.743 1.827) 11.907 2.918 ( -2.006 2.284 -3.056) 4.310 2.918 ( 2.006 2.284 -3.056) 4.310 2.956 ( -5.661 2.956 -1.350) 6.527 2.956 ( 5.661 2.956 -1.350) 6.527 3.077 ( -2.524 5.388 0.957) 6.027 3.077 ( 2.524 5.388 0.957) 6.027 3.162 ( -1.904 2.899 1.614) 3.825 3.162 ( 1.904 2.899 1.614) 3.825 3.264 ( -1.798 2.568 1.733) 3.582 3.264 ( 1.798 2.568 1.733) 3.582 3.338 ( -1.864 1.243 -1.218) 2.550 3.338 ( 1.864 1.243 -1.218) 2.550 3.473 ( -3.747 2.072 -1.087) 4.417 3.473 ( 3.747 2.072 -1.087) 4.417 3.570 ( -2.915 0.882 -2.997) 4.273 3.570 ( 2.915 0.882 -2.997) 4.273 3.639 ( -3.377 1.968 -0.749) 3.979 3.639 ( 3.377 1.968 -0.749) 3.979 3.796 ( -5.945 1.312 2.297) 6.507 3.796 ( 5.945 1.312 2.297) 6.507 3.822 ( -4.035 -0.313 -0.564) 4.086 3.822 ( 4.035 -0.313 -0.564) 4.086 3.901 ( -4.093 -4.451 -1.161) 6.157 3.901 ( 4.093 -4.451 -1.161) 6.157 4.004 ( -2.305 -2.312 -2.726) 4.254 4.004 ( 2.305 -2.312 -2.726) 4.254 4.096 ( -5.386 0.277 3.032) 6.187 4.096 ( 5.386 0.277 3.032) 6.187 4.163 ( -3.392 -1.728 2.295) 4.445 4.163 ( 3.392 -1.728 2.295) 4.445 4.232 ( -1.871 -1.360 1.442) 2.726 4.232 ( 1.871 -1.360 1.442) 2.726 4.373 ( -2.548 -1.587 -2.427) 3.860 4.373 ( 2.548 -1.587 -2.427) 3.860 4.423 ( -1.417 -3.828 0.209) 4.088 4.423 ( 1.417 -3.828 0.209) 4.088 4.589 ( -6.001 0.027 -0.808) 6.055 4.589 ( 6.001 0.027 -0.808) 6.055 4.666 ( -5.213 2.031 -5.075) 7.553 4.666 ( 5.213 2.031 -5.075) 7.553 4.721 ( -5.067 -0.069 -2.745) 5.763 4.721 ( 5.067 -0.069 -2.745) 5.763 4.869 ( -3.464 -4.829 0.179) 5.946 4.869 ( 3.464 -4.829 0.179) 5.946 4.884 ( -1.339 1.710 -0.741) 2.295 4.884 ( 1.339 1.710 -0.741) 2.295 4.965 ( -3.919 1.825 2.798) 5.150 4.965 ( 3.919 1.825 2.798) 5.150 5.118 ( -2.856 0.216 -1.020) 3.041 5.118 ( 2.856 0.216 -1.020) 3.041 5.210 ( -4.299 -3.019 3.338) 6.224 5.210 ( 4.299 -3.019 3.338) 6.224 5.233 ( -4.783 -0.471 1.554) 5.051 5.233 ( 4.783 -0.471 1.554) 5.051 5.325 ( -1.829 -6.018 2.317) 6.703 5.325 ( 1.829 -6.018 2.317) 6.703 5.472 ( -0.904 -3.240 -1.715) 3.776 5.472 ( 0.904 -3.240 -1.715) 3.776 5.628 ( -3.427 -5.014 0.951) 6.147 5.628 ( 3.427 -5.014 0.951) 6.147 5.739 ( -1.791 -0.204 1.398) 2.281 5.739 ( 1.791 -0.204 1.398) 2.281 5.874 ( -4.819 -3.228 -0.113) 5.801 5.874 ( 4.819 -3.228 -0.113) 5.801 5.979 ( -3.674 0.179 -2.509) 4.453 5.979 ( 3.674 0.179 -2.509) 4.453 6.317 ( -1.752 -0.964 3.240) 3.808 6.317 ( 1.752 -0.964 3.240) 3.808 6.418 ( -2.900 -0.654 -1.643) 3.396 6.418 ( 2.900 -0.654 -1.643) 3.396 7.054 ( -1.739 1.276 0.668) 2.258 7.054 ( 1.739 1.276 0.668) 2.258 7.120 ( -2.414 -0.360 -2.668) 3.616 7.120 ( 2.414 -0.360 -2.668) 3.616 7.240 ( -0.531 -0.588 2.195) 2.334 7.240 ( 0.531 -0.588 2.195) 2.334 7.326 ( -0.530 -0.071 -1.377) 1.477 7.326 ( 0.530 -0.071 -1.377) 1.477 8.117 ( -1.372 5.378 1.807) 5.837 8.117 ( 1.372 5.378 1.807) 5.837 8.189 ( -0.788 5.602 -1.362) 5.819 8.189 ( 0.788 5.602 -1.362) 5.819 8.507 ( -8.319 -2.360 0.861) 8.690 8.507 ( 8.319 -2.360 0.861) 8.690 8.557 ( -5.898 1.367 -1.078) 6.150 8.557 ( 5.898 1.367 -1.078) 6.150 8.842 ( -2.989 3.237 2.077) 4.871 8.842 ( 2.989 3.237 2.077) 4.871 8.970 ( -10.161 3.324 -3.092) 11.129 8.970 ( 10.161 3.324 -3.092) 11.129 9.365 ( -1.445 -2.372 3.227) 4.258 9.365 ( 1.445 -2.372 3.227) 4.258 9.413 ( -1.810 -0.876 0.694) 2.127 9.413 ( 1.810 -0.876 0.694) 2.127 9.560 ( -5.735 -3.548 1.117) 6.835 9.560 ( 5.735 -3.548 1.117) 6.835 9.765 ( -6.195 -5.422 -7.168) 10.915 9.765 ( 6.195 -5.422 -7.168) 10.915 9.936 ( -8.832 -3.463 1.500) 9.605 9.936 ( 8.832 -3.463 1.500) 9.605 10.075 ( -9.080 -7.349 -2.879) 12.031 10.075 ( 9.080 -7.349 -2.879) 12.031 10.301 ( -4.005 -4.852 6.910) 9.345 10.301 ( 4.005 -4.852 6.910) 9.345 10.519 ( -3.699 -6.564 -4.541) 8.797 10.519 ( 3.699 -6.564 -4.541) 8.797 10.668 ( -2.739 -6.104 8.487) 10.807 10.668 ( 2.739 -6.104 8.487) 10.807 11.086 ( -1.392 5.196 -8.349) 9.932 11.086 ( 1.392 5.196 -8.349) 9.932 11.402 ( -3.724 -2.543 0.015) 4.509 11.402 ( 3.724 -2.543 0.015) 4.509 11.453 ( -4.715 -8.264 -2.529) 9.845 11.453 ( 4.715 -8.264 -2.529) 9.845 11.975 ( -10.137 4.747 7.534) 13.493 11.975 ( 10.137 4.747 7.534) 13.493 12.292 ( -2.063 1.636 -5.771) 6.343 12.292 ( 2.063 1.636 -5.771) 6.343 12.442 ( -3.550 6.389 4.975) 8.842 12.442 ( 3.550 6.389 4.975) 8.842 12.659 ( -6.307 7.713 -2.748) 10.335 12.659 ( 6.307 7.713 -2.748) 10.335 13.084 ( -1.085 -2.683 1.022) 3.069 13.084 ( 1.085 -2.683 1.022) 3.069 13.161 ( -4.320 -2.341 -2.216) 5.390 13.161 ( 4.320 -2.341 -2.216) 5.390 16.621 ( -5.355 0.271 1.873) 5.679 16.621 ( 5.355 0.271 1.873) 5.679 16.721 ( -5.914 -1.030 -2.855) 6.647 16.721 ( 5.914 -1.030 -2.855) 6.647 16.969 ( -1.020 0.363 1.962) 2.241 16.969 ( 1.020 0.363 1.962) 2.241 17.030 ( -2.629 3.242 -1.097) 4.316 17.030 ( 2.629 3.242 -1.097) 4.316 17.368 ( -2.520 -5.319 5.306) 7.924 17.368 ( 2.520 -5.319 5.306) 7.924 17.578 ( -2.103 -6.673 -4.033) 8.076 17.578 ( 2.103 -6.673 -4.033) 8.076 18.950 ( -2.145 -0.680 1.452) 2.678 18.950 ( 2.145 -0.680 1.452) 2.678 19.020 ( -1.864 -0.813 -1.600) 2.588 19.020 ( 1.864 -0.813 -1.600) 2.588 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.000 14.611 7.455) 16.403 1.529 ( 0.000 13.722 9.720) 16.816 1.700 ( 0.000 1.530 6.050) 6.241 1.881 ( 0.000 1.478 1.917) 2.420 1.947 ( 0.000 0.759 6.719) 6.762 1.955 ( 0.000 8.498 -10.700) 13.664 2.029 ( 0.000 5.950 -6.890) 9.104 2.101 ( 0.000 0.187 -6.947) 6.950 2.211 ( 0.000 -1.068 -6.489) 6.577 2.318 ( 0.000 -8.991 3.759) 9.745 2.325 ( 0.000 6.945 -7.631) 10.318 2.405 ( 0.000 6.960 3.208) 7.664 2.458 ( 0.000 0.911 6.202) 6.269 2.462 ( 0.000 7.574 -0.045) 7.574 2.492 ( 0.000 10.741 0.346) 10.747 2.494 ( 0.000 1.904 -3.241) 3.759 2.522 ( 0.000 9.633 -0.436) 9.643 2.679 ( 0.000 8.606 -1.373) 8.715 2.706 ( 0.000 0.263 -3.108) 3.119 2.781 ( 0.000 9.819 -3.370) 10.381 2.822 ( 0.000 -2.964 -1.289) 3.232 2.833 ( 0.000 1.834 0.671) 1.953 2.857 ( 0.000 8.844 -2.129) 9.097 2.866 ( 0.000 -7.953 -1.780) 8.150 2.898 ( 0.000 -1.691 -0.962) 1.946 2.928 ( 0.000 12.980 0.337) 12.984 2.982 ( 0.000 12.146 4.869) 13.086 3.003 ( 0.000 -6.633 1.826) 6.880 3.016 ( 0.000 9.754 2.403) 10.046 3.042 ( 0.000 13.099 6.235) 14.508 3.076 ( 0.000 0.616 -3.822) 3.871 3.119 ( 0.000 -4.008 4.323) 5.895 3.186 ( 0.000 9.914 1.843) 10.084 3.299 ( 0.000 -1.487 -3.367) 3.681 3.312 ( 0.000 7.866 1.055) 7.936 3.334 ( 0.000 11.595 3.946) 12.248 3.338 ( 0.000 -3.979 4.634) 6.108 3.404 ( 0.000 7.948 0.640) 7.974 3.452 ( 0.000 0.393 8.002) 8.012 3.495 ( 0.000 7.963 -2.289) 8.286 3.505 ( 0.000 -4.436 1.724) 4.759 3.618 ( 0.000 -0.786 3.335) 3.426 3.651 ( 0.000 7.869 -0.283) 7.874 3.653 ( 0.000 -1.169 1.433) 1.850 3.705 ( 0.000 13.190 -5.528) 14.301 3.791 ( 0.000 -2.314 -4.394) 4.966 3.812 ( 0.000 7.390 2.437) 7.782 3.845 ( 0.000 -5.329 -4.880) 7.226 3.873 ( 0.000 4.399 0.098) 4.400 3.935 ( 0.000 0.825 1.373) 1.602 3.979 ( 0.000 3.356 -6.652) 7.451 4.040 ( 0.000 -5.089 -3.711) 6.298 4.140 ( 0.000 1.471 0.801) 1.675 4.151 ( 0.000 -5.575 -0.708) 5.620 4.174 ( 0.000 -7.414 1.229) 7.516 4.176 ( 0.000 7.391 1.811) 7.609 4.220 ( 0.000 -4.165 -2.455) 4.835 4.340 ( 0.000 9.987 -1.819) 10.151 4.352 ( 0.000 -10.513 -2.539) 10.816 4.379 ( 0.000 1.897 -6.457) 6.730 4.398 ( 0.000 -6.243 -0.691) 6.281 4.448 ( 0.000 7.335 1.757) 7.542 4.467 ( 0.000 -8.328 -2.469) 8.686 4.561 ( 0.000 -0.668 3.776) 3.835 4.587 ( 0.000 -1.454 2.159) 2.603 4.612 ( 0.000 5.201 -3.041) 6.025 4.704 ( 0.000 0.658 3.971) 4.025 4.730 ( 0.000 -4.602 8.921) 10.038 4.774 ( 0.000 -15.045 5.285) 15.947 4.796 ( 0.000 5.702 7.743) 9.616 4.884 ( 0.000 -5.239 -1.919) 5.580 4.900 ( 0.000 -7.109 0.568) 7.132 4.944 ( 0.000 -9.828 -2.326) 10.099 4.993 ( 0.000 -5.724 0.365) 5.735 5.076 ( 0.000 2.029 2.940) 3.572 5.096 ( 0.000 -2.150 -2.705) 3.455 5.113 ( 0.000 2.469 -1.559) 2.920 5.174 ( 0.000 -4.787 -3.209) 5.763 5.269 ( 0.000 1.113 -1.710) 2.040 5.291 ( 0.000 -2.081 -8.027) 8.292 5.317 ( 0.000 -3.705 -7.135) 8.040 5.335 ( 0.000 2.980 1.115) 3.182 5.348 ( 0.000 3.219 -4.059) 5.180 5.398 ( 0.000 -4.262 -1.194) 4.426 5.557 ( 0.000 1.790 0.790) 1.956 5.589 ( 0.000 -1.932 4.810) 5.184 5.621 ( 0.000 -2.639 -0.555) 2.697 5.692 ( 0.000 -4.512 0.375) 4.527 5.843 ( 0.000 1.662 6.382) 6.595 5.940 ( 0.000 -0.265 2.635) 2.648 6.015 ( 0.000 0.932 -0.085) 0.936 6.043 ( 0.000 -0.504 -1.713) 1.785 6.196 ( 0.000 -1.115 4.758) 4.887 6.273 ( 0.000 -4.105 2.139) 4.629 6.377 ( 0.000 -1.265 -3.418) 3.644 6.387 ( 0.000 -3.835 -2.678) 4.678 7.058 ( 0.000 1.018 -0.539) 1.152 7.094 ( 0.000 0.822 -1.279) 1.520 7.111 ( 0.000 -2.255 -0.760) 2.380 7.146 ( 0.000 -2.868 -2.489) 3.797 7.200 ( 0.000 0.506 1.864) 1.931 7.254 ( 0.000 -0.081 3.210) 3.211 7.270 ( 0.000 1.979 0.197) 1.989 7.311 ( 0.000 -0.119 0.665) 0.676 8.048 ( 0.000 6.767 1.352) 6.901 8.119 ( 0.000 5.499 -0.402) 5.513 8.265 ( 0.000 -1.304 0.440) 1.377 8.297 ( 0.000 2.587 -1.283) 2.888 8.315 ( 0.000 4.884 1.509) 5.112 8.428 ( 0.000 -5.269 3.875) 6.540 8.450 ( 0.000 5.476 -3.587) 6.546 8.574 ( 0.000 -3.050 -2.871) 4.189 8.957 ( 0.000 8.505 0.011) 8.505 9.004 ( 0.000 2.052 4.107) 4.591 9.007 ( 0.000 5.866 -0.886) 5.933 9.191 ( 0.000 -4.084 -1.639) 4.400 9.306 ( 0.000 -0.458 3.383) 3.414 9.322 ( 0.000 -0.788 0.186) 0.809 9.396 ( 0.000 -1.017 -1.940) 2.191 9.437 ( 0.000 -5.855 -8.648) 10.444 9.507 ( 0.000 0.677 3.682) 3.744 9.678 ( 0.000 -2.804 2.319) 3.639 9.703 ( 0.000 1.061 -3.554) 3.709 9.731 ( 0.000 -0.110 -1.195) 1.200 9.834 ( 0.000 -1.761 2.847) 3.348 9.883 ( 0.000 -4.953 5.019) 7.052 9.915 ( 0.000 -6.135 -0.992) 6.215 9.995 ( 0.000 -7.616 -1.201) 7.710 10.191 ( 0.000 -6.334 7.662) 9.941 10.207 ( 0.000 -2.751 -0.011) 2.751 10.328 ( 0.000 0.302 -5.222) 5.230 10.569 ( 0.000 5.110 10.082) 11.303 10.579 ( 0.000 -8.559 -2.090) 8.811 10.683 ( 0.000 -1.185 0.210) 1.203 10.932 ( 0.000 10.585 -1.803) 10.738 10.989 ( 0.000 3.803 -0.092) 3.804 11.188 ( 0.000 -7.988 -14.614) 16.655 11.243 ( 0.000 2.369 -10.852) 11.107 11.533 ( 0.000 -14.299 7.176) 15.998 11.698 ( 0.000 -14.541 -2.097) 14.692 11.710 ( 0.000 5.968 11.943) 13.351 11.925 ( 0.000 -6.267 11.077) 12.727 12.149 ( 0.000 6.494 -11.587) 13.283 12.333 ( 0.000 -2.421 -9.090) 9.407 12.504 ( 0.000 5.025 6.191) 7.973 12.699 ( 0.000 6.826 -5.327) 8.659 12.774 ( 0.000 -9.813 4.194) 10.672 12.913 ( 0.000 -5.804 -3.120) 6.589 12.934 ( 0.000 8.484 7.631) 11.411 13.076 ( 0.000 1.635 6.239) 6.450 13.160 ( 0.000 9.693 -3.525) 10.314 13.360 ( 0.000 -0.912 -6.768) 6.829 16.508 ( 0.000 4.671 2.086) 5.116 16.573 ( 0.000 4.432 -0.901) 4.523 16.703 ( 0.000 -4.578 2.384) 5.161 16.777 ( 0.000 -5.700 -0.361) 5.712 16.955 ( 0.000 0.049 2.427) 2.428 16.973 ( 0.000 -0.937 2.928) 3.074 17.104 ( 0.000 -0.723 -2.276) 2.388 17.128 ( 0.000 3.556 -3.651) 5.097 17.191 ( 0.000 6.199 1.053) 6.288 17.232 ( 0.000 4.244 -0.931) 4.344 17.562 ( 0.000 -11.285 -0.078) 11.285 17.600 ( 0.000 -11.236 -0.315) 11.240 18.888 ( 0.000 0.979 1.829) 2.075 18.947 ( 0.000 -2.157 1.844) 2.838 18.982 ( 0.000 0.749 -2.320) 2.437 19.033 ( 0.000 -1.828 -1.902) 2.638 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 4.113 10.663 3.943) 12.090 1.628 ( 1.958 2.558 7.525) 8.186 1.715 ( 5.178 7.948 3.728) 10.192 1.850 ( -1.220 6.140 -3.771) 7.308 1.937 ( -0.279 6.902 0.268) 6.913 1.976 ( 3.682 2.790 2.314) 5.167 1.992 ( -2.249 1.789 -0.523) 2.921 2.137 ( 0.739 2.587 -2.044) 3.379 2.194 ( -2.296 2.068 -3.286) 4.511 2.255 ( -2.781 3.019 1.540) 4.384 2.284 ( -6.815 0.700 2.473) 7.284 2.324 ( -1.412 3.471 -3.539) 5.154 2.358 ( -4.856 6.603 0.017) 8.196 2.432 ( -2.786 4.125 -1.982) 5.358 2.520 ( -9.365 5.224 -2.376) 10.984 2.563 ( 1.397 5.831 1.463) 6.172 2.578 ( 2.024 6.255 -1.418) 6.726 2.611 ( -5.892 7.722 -4.292) 10.619 2.653 ( 6.739 6.308 -1.086) 9.295 2.726 ( 0.149 0.847 -3.851) 3.946 2.788 ( -2.670 5.923 1.087) 6.587 2.818 ( 0.747 2.453 3.191) 4.094 2.843 ( 1.191 2.962 -0.565) 3.242 2.873 ( 0.868 0.731 1.294) 1.721 2.904 ( 2.987 4.363 -2.899) 6.030 2.940 ( -1.766 3.268 1.595) 4.043 3.009 ( 0.782 6.005 -3.715) 7.104 3.020 ( 2.820 6.817 2.106) 7.672 3.080 ( 3.511 3.945 -2.836) 5.994 3.131 ( 4.169 -1.275 3.541) 5.617 3.140 ( 1.933 0.308 2.072) 2.850 3.171 ( 3.579 2.545 2.686) 5.147 3.239 ( 0.628 2.377 0.752) 2.571 3.247 ( -1.026 8.252 -0.264) 8.320 3.263 ( -2.037 7.663 3.492) 8.664 3.321 ( -0.900 9.123 3.233) 9.721 3.369 ( 0.989 9.093 1.864) 9.334 3.397 ( 1.560 1.533 0.584) 2.263 3.498 ( 1.641 0.254 2.623) 3.104 3.549 ( 2.995 3.808 -3.937) 6.243 3.559 ( 2.435 -1.764 1.911) 3.563 3.601 ( -1.387 5.296 -1.776) 5.755 3.675 ( 4.754 -0.359 0.781) 4.831 3.683 ( -0.646 1.645 -1.399) 2.254 3.732 ( 0.879 6.317 -2.537) 6.864 3.756 ( -0.871 4.217 -0.080) 4.306 3.784 ( 1.357 1.684 1.577) 2.677 3.834 ( 1.795 4.412 1.374) 4.958 3.890 ( -1.982 -0.896 -2.492) 3.308 3.923 ( -0.131 -0.165 0.325) 0.387 3.955 ( -0.403 -1.014 -3.800) 3.953 4.049 ( -2.270 2.034 0.051) 3.049 4.054 ( -4.126 -3.090 3.598) 6.286 4.135 ( -2.367 -2.061 0.255) 3.149 4.153 ( -2.781 -3.443 2.423) 5.046 4.224 ( -2.300 -4.768 0.469) 5.315 4.239 ( 2.419 -0.696 -1.100) 2.747 4.263 ( 1.202 -2.166 -3.596) 4.367 4.297 ( -5.361 2.412 -3.962) 7.089 4.404 ( -0.962 -1.005 -0.143) 1.398 4.452 ( 0.960 1.814 -0.360) 2.084 4.466 ( 1.431 3.877 -1.856) 4.530 4.487 ( -0.467 -0.270 -0.328) 0.631 4.538 ( 3.474 -2.561 0.120) 4.317 4.594 ( 1.979 -0.197 -0.556) 2.065 4.637 ( -0.050 -5.663 -1.071) 5.763 4.653 ( -2.717 1.422 0.700) 3.145 4.705 ( -0.911 -8.565 3.356) 9.244 4.729 ( -1.549 -8.509 5.006) 9.993 4.800 ( 2.492 4.352 4.120) 6.491 4.824 ( -3.182 -5.808 -0.463) 6.638 4.887 ( 0.466 -6.101 -1.296) 6.254 5.001 ( -3.135 -4.539 -0.637) 5.553 5.012 ( 4.742 -5.845 0.152) 7.528 5.078 ( -2.100 -0.010 -1.618) 2.651 5.090 ( 3.617 -1.585 3.922) 5.566 5.154 ( -6.037 -2.699 -0.395) 6.625 5.167 ( 2.165 1.969 -1.462) 3.271 5.210 ( -1.232 2.955 -1.439) 3.510 5.276 ( -0.426 -2.369 -3.250) 4.044 5.284 ( 0.298 1.889 -1.517) 2.441 5.337 ( -2.339 -3.536 0.622) 4.285 5.383 ( 1.177 -5.620 -7.398) 9.364 5.425 ( 2.274 0.576 -1.975) 3.067 5.557 ( -3.331 -1.970 -0.774) 3.947 5.622 ( 0.225 -0.091 -0.170) 0.296 5.652 ( -1.022 -4.712 1.767) 5.136 5.698 ( 5.730 -0.344 1.078) 5.840 5.761 ( -2.822 0.641 4.913) 5.702 5.923 ( -3.425 1.787 -0.524) 3.899 5.982 ( -0.446 -3.338 2.036) 3.935 5.986 ( -2.328 -0.908 1.414) 2.871 6.254 ( 2.801 -1.151 2.447) 3.893 6.298 ( 1.347 -1.870 3.023) 3.801 6.375 ( 0.556 -0.888 -2.095) 2.343 6.405 ( 0.391 -2.746 -1.380) 3.098 7.065 ( 0.540 -0.190 -0.942) 1.102 7.084 ( -0.984 0.127 -1.352) 1.677 7.102 ( -0.058 1.423 -0.724) 1.598 7.134 ( -0.886 -2.266 -2.830) 3.732 7.217 ( 0.676 -0.336 2.464) 2.577 7.242 ( -0.620 0.042 3.036) 3.099 7.299 ( 2.023 0.445 -0.609) 2.159 7.322 ( 0.805 0.433 -0.294) 0.960 8.123 ( 5.274 5.108 1.422) 7.479 8.191 ( 4.391 4.501 -0.261) 6.293 8.268 ( 0.170 0.292 0.166) 0.377 8.291 ( -0.764 4.364 -0.928) 4.527 8.336 ( 3.291 1.527 1.818) 4.058 8.455 ( 2.469 -1.961 2.196) 3.842 8.500 ( 3.798 1.300 -2.602) 4.784 8.613 ( 2.445 -2.167 -3.063) 4.479 8.921 ( -2.414 5.971 0.780) 6.488 8.961 ( -3.306 4.044 1.933) 5.569 8.981 ( -1.685 4.224 0.826) 4.622 9.160 ( -4.309 -3.646 -3.506) 6.645 9.317 ( 0.133 -1.575 2.719) 3.145 9.335 ( 0.157 -1.743 0.658) 1.870 9.376 ( -0.238 0.907 -1.589) 1.845 9.405 ( -0.634 -2.983 -2.088) 3.696 9.486 ( -1.819 -1.146 2.136) 3.031 9.617 ( -6.108 -5.005 4.752) 9.216 9.666 ( -1.277 1.153 -4.754) 5.056 9.758 ( 0.515 -0.854 -0.388) 1.070 9.791 ( 2.305 -0.900 0.705) 2.572 9.839 ( -1.480 -2.526 -2.257) 3.697 9.974 ( -0.872 -6.890 2.233) 7.295 9.996 ( -0.636 -8.819 1.172) 8.919 10.199 ( 0.872 -4.114 4.454) 6.126 10.213 ( 0.700 -3.217 0.984) 3.437 10.355 ( 2.397 -0.789 -5.322) 5.890 10.533 ( -4.127 -4.224 -9.115) 10.861 10.604 ( 2.010 0.998 10.107) 10.353 10.673 ( -0.265 1.821 9.136) 9.319 10.997 ( 6.204 5.761 -3.391) 9.120 11.078 ( 7.226 4.457 -3.113) 9.043 11.223 ( 2.548 -4.390 -8.333) 9.757 11.270 ( 1.262 -5.205 -7.065) 8.865 11.513 ( -3.235 -5.347 1.772) 6.495 11.530 ( -8.942 -4.961 1.035) 10.278 11.825 ( 6.646 -0.307 7.609) 10.107 11.998 ( 5.878 -7.803 8.225) 12.771 12.197 ( 3.464 1.018 -10.523) 11.125 12.312 ( -3.337 1.418 -6.566) 7.500 12.513 ( -0.394 2.031 4.485) 4.939 12.647 ( -0.376 5.009 -3.249) 5.982 12.738 ( -8.192 -1.129 7.449) 11.130 12.832 ( 0.494 -1.444 2.658) 3.065 13.012 ( 4.799 0.371 -1.640) 5.085 13.095 ( -3.431 7.169 -2.804) 8.428 13.116 ( 0.215 2.319 3.252) 4.000 13.280 ( -6.523 -0.966 -4.623) 8.054 16.550 ( 3.190 2.971 1.853) 4.737 16.613 ( 3.185 2.575 -1.207) 4.270 16.687 ( -1.438 -2.700 2.169) 3.751 16.757 ( -1.730 -4.264 -1.144) 4.741 16.953 ( 0.419 -0.496 2.329) 2.418 16.979 ( 0.420 0.696 2.960) 3.070 17.127 ( 0.230 2.146 -2.149) 3.045 17.140 ( 0.004 5.209 -2.938) 5.981 17.199 ( 2.016 2.289 1.505) 3.401 17.246 ( 2.515 -0.198 0.455) 2.564 17.503 ( -4.771 -9.974 -0.923) 11.094 17.539 ( -5.038 -9.595 -0.837) 10.869 18.906 ( 1.460 0.500 1.582) 2.210 18.948 ( -0.047 -1.712 1.622) 2.359 18.988 ( 0.522 0.320 -1.994) 2.087 19.025 ( -0.741 -1.554 -1.714) 2.429 ======================= Grid point 62 (27/45) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -2.929 1.712 5.034) 6.071 1.598 ( 2.929 1.712 5.034) 6.071 1.828 ( -2.255 4.242 -5.064) 6.980 1.828 ( 2.255 4.242 -5.064) 6.980 1.990 ( -6.959 9.027 4.294) 12.180 1.990 ( 6.959 9.027 4.294) 12.180 2.055 ( -3.719 5.925 1.659) 7.189 2.055 ( 3.719 5.925 1.659) 7.189 2.195 ( -3.756 5.223 0.162) 6.435 2.195 ( 3.756 5.223 0.162) 6.435 2.236 ( -4.509 2.490 1.851) 5.473 2.236 ( 4.509 2.490 1.851) 5.474 2.332 ( -6.120 4.431 0.016) 7.556 2.332 ( 6.120 4.431 0.016) 7.556 2.446 ( -4.814 4.843 -8.194) 10.666 2.446 ( 4.814 4.843 -8.194) 10.666 2.591 ( -1.833 2.979 3.398) 4.876 2.591 ( 1.833 2.979 3.398) 4.876 2.752 ( -1.021 3.971 -3.700) 5.523 2.752 ( 1.021 3.971 -3.700) 5.523 2.809 ( -1.533 3.081 1.563) 3.779 2.809 ( 1.533 3.081 1.563) 3.779 2.885 ( -2.187 3.346 3.179) 5.107 2.885 ( 2.187 3.346 3.179) 5.107 2.953 ( -0.361 3.021 -5.509) 6.293 2.953 ( 0.361 3.021 -5.509) 6.293 3.024 ( -1.906 5.548 1.178) 5.983 3.024 ( 1.906 5.548 1.178) 5.983 3.111 ( -2.354 7.031 0.093) 7.415 3.111 ( 2.354 7.031 0.093) 7.415 3.201 ( -1.301 -3.406 0.084) 3.647 3.201 ( 1.301 -3.406 0.084) 3.647 3.230 ( -1.030 7.958 1.687) 8.200 3.230 ( 1.030 7.958 1.687) 8.200 3.292 ( -2.291 6.893 -1.295) 7.378 3.292 ( 2.291 6.893 -1.295) 7.378 3.402 ( -1.697 8.118 2.745) 8.736 3.402 ( 1.697 8.118 2.745) 8.736 3.537 ( -1.503 1.166 -2.512) 3.151 3.537 ( 1.503 1.166 -2.512) 3.151 3.580 ( -3.199 3.313 0.968) 4.706 3.580 ( 3.199 3.313 0.968) 4.706 3.697 ( -1.547 3.260 -5.390) 6.486 3.697 ( 1.547 3.260 -5.390) 6.486 3.792 ( -4.956 -1.188 3.637) 6.260 3.792 ( 4.956 -1.188 3.637) 6.260 3.828 ( -1.992 1.605 3.039) 3.972 3.828 ( 1.992 1.605 3.039) 3.972 3.911 ( -3.334 3.393 -0.784) 4.821 3.911 ( 3.334 3.393 -0.784) 4.821 3.960 ( -5.772 -3.061 -0.815) 6.584 3.960 ( 5.772 -3.061 -0.815) 6.584 4.059 ( -6.008 -4.617 2.669) 8.034 4.059 ( 6.008 -4.617 2.669) 8.034 4.116 ( -3.904 -3.716 -0.170) 5.392 4.116 ( 3.904 -3.716 -0.170) 5.392 4.234 ( -5.256 5.678 1.514) 7.883 4.234 ( 5.256 5.678 1.514) 7.883 4.375 ( -3.398 -0.763 -0.013) 3.483 4.375 ( 3.398 -0.763 -0.013) 3.483 4.411 ( -4.789 3.475 0.581) 5.945 4.411 ( 4.789 3.475 0.581) 5.945 4.560 ( -3.077 -4.356 1.921) 5.669 4.560 ( 3.077 -4.356 1.921) 5.669 4.630 ( -4.763 -6.162 -1.830) 8.000 4.630 ( 4.763 -6.162 -1.830) 8.000 4.691 ( -1.882 -4.154 -1.868) 4.928 4.691 ( 1.882 -4.154 -1.868) 4.928 4.774 ( -2.064 -1.481 -3.295) 4.161 4.774 ( 2.064 -1.481 -3.295) 4.161 4.891 ( -4.674 -2.918 -5.048) 7.473 4.891 ( 4.674 -2.918 -5.048) 7.473 4.962 ( -2.783 -4.985 2.907) 6.406 4.962 ( 2.783 -4.985 2.907) 6.406 5.034 ( -3.708 0.168 0.630) 3.765 5.034 ( 3.708 0.168 0.630) 3.765 5.202 ( -2.977 -0.608 3.581) 4.697 5.202 ( 2.977 -0.608 3.581) 4.697 5.246 ( -1.586 -0.279 1.795) 2.411 5.246 ( 1.586 -0.279 1.795) 2.411 5.276 ( -1.535 1.956 -3.125) 3.994 5.276 ( 1.535 1.956 -3.125) 3.994 5.408 ( -2.391 -4.002 -5.248) 7.020 5.408 ( 2.391 -4.002 -5.248) 7.020 5.536 ( -3.965 -2.600 3.940) 6.165 5.536 ( 3.965 -2.600 3.940) 6.165 5.717 ( -2.638 -2.409 -2.882) 4.590 5.717 ( 2.638 -2.409 -2.882) 4.590 5.831 ( -5.192 -0.697 5.235) 7.406 5.831 ( 5.192 -0.697 5.235) 7.406 5.971 ( -0.764 -1.039 -1.362) 1.876 5.971 ( 0.764 -1.039 -1.362) 1.876 6.300 ( -1.880 -0.762 3.363) 3.927 6.300 ( 1.880 -0.762 3.363) 3.927 6.396 ( -1.382 -1.407 -1.106) 2.262 6.396 ( 1.382 -1.407 -1.106) 2.262 7.071 ( -0.216 0.415 -0.608) 0.767 7.071 ( 0.216 0.415 -0.608) 0.767 7.112 ( -0.951 -0.554 -2.460) 2.695 7.112 ( 0.951 -0.554 -2.460) 2.695 7.230 ( -0.546 -0.149 2.902) 2.957 7.230 ( 0.546 -0.149 2.902) 2.957 7.330 ( -0.459 0.445 -1.308) 1.456 7.330 ( 0.459 0.445 -1.308) 1.456 8.210 ( -2.182 3.921 1.482) 4.726 8.210 ( 2.182 3.921 1.482) 4.726 8.276 ( -0.569 3.001 -1.018) 3.220 8.276 ( 0.569 3.001 -1.018) 3.220 8.454 ( -4.488 -2.341 2.357) 5.583 8.454 ( 4.488 -2.341 2.357) 5.583 8.597 ( -4.247 2.137 -3.469) 5.886 8.597 ( 4.247 2.137 -3.469) 5.886 8.903 ( -1.158 2.655 2.004) 3.522 8.903 ( 1.158 2.655 2.004) 3.522 9.014 ( -6.141 1.014 -2.542) 6.724 9.014 ( 6.141 1.014 -2.542) 6.724 9.321 ( -0.936 -1.994 3.228) 3.908 9.321 ( 0.936 -1.994 3.228) 3.908 9.403 ( -0.895 -0.264 -1.075) 1.424 9.403 ( 0.895 -0.264 -1.075) 1.424 9.495 ( -3.706 -2.900 3.062) 5.615 9.495 ( 3.706 -2.900 3.062) 5.615 9.690 ( -3.268 -1.651 -4.661) 5.927 9.690 ( 3.268 -1.651 -4.661) 5.927 9.878 ( -4.903 -2.137 2.035) 5.722 9.878 ( 4.903 -2.137 2.035) 5.722 9.932 ( -5.396 -6.085 -0.271) 8.138 9.932 ( 5.396 -6.085 -0.271) 8.138 10.218 ( -0.565 -3.448 1.862) 3.959 10.218 ( 0.565 -3.448 1.862) 3.959 10.430 ( -4.402 -3.029 -6.883) 8.714 10.430 ( 4.402 -3.029 -6.883) 8.714 10.652 ( -1.686 2.921 10.859) 11.371 10.652 ( 1.686 2.921 10.859) 11.371 11.153 ( -4.046 0.836 -10.912) 11.668 11.153 ( 4.046 0.836 -10.912) 11.668 11.267 ( -2.260 -9.102 3.911) 10.161 11.267 ( 2.260 -9.102 3.911) 10.161 11.420 ( -3.527 3.860 -2.388) 5.748 11.420 ( 3.527 3.860 -2.388) 5.748 12.009 ( -7.951 -1.697 4.409) 9.249 12.009 ( 7.951 -1.697 4.409) 9.249 12.248 ( -0.584 -2.837 -6.857) 7.444 12.248 ( 0.584 -2.837 -6.857) 7.444 12.533 ( -5.522 1.996 8.100) 10.004 12.533 ( 5.522 1.996 8.100) 10.004 12.774 ( -7.275 4.179 -3.100) 8.944 12.774 ( 7.275 4.179 -3.100) 8.944 13.080 ( -3.231 1.517 0.624) 3.623 13.080 ( 3.231 1.517 0.624) 3.623 13.134 ( -5.121 -0.593 -1.632) 5.407 13.134 ( 5.121 -0.593 -1.632) 5.407 16.621 ( -2.952 -0.037 1.861) 3.490 16.621 ( 2.952 -0.037 1.861) 3.490 16.704 ( -3.091 -0.811 -1.809) 3.672 16.704 ( 3.091 -0.811 -1.809) 3.672 16.976 ( -1.043 0.510 3.379) 3.573 16.976 ( 1.043 0.510 3.379) 3.573 17.120 ( -0.576 5.595 -2.924) 6.339 17.120 ( 0.576 5.595 -2.924) 6.339 17.283 ( -2.555 -3.192 3.595) 5.444 17.283 ( 2.555 -3.192 3.595) 5.444 17.436 ( -1.937 -7.717 -3.183) 8.569 17.436 ( 1.937 -7.717 -3.183) 8.569 18.937 ( -1.065 -0.606 1.349) 1.823 18.937 ( 1.065 -0.606 1.349) 1.823 19.005 ( -0.981 -0.706 -1.584) 1.993 19.005 ( 0.981 -0.706 -1.584) 1.993 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 -1.441 7.503) 7.641 1.627 ( 0.000 1.441 7.503) 7.641 1.811 ( 0.000 -7.717 4.101) 8.739 1.811 ( 0.000 7.717 4.101) 8.739 2.058 ( 0.000 -3.728 0.328) 3.743 2.058 ( 0.000 3.728 0.328) 3.743 2.098 ( 0.000 -3.043 -2.711) 4.076 2.098 ( 0.000 3.043 -2.711) 4.076 2.144 ( 0.000 -0.736 -5.906) 5.952 2.144 ( 0.000 0.736 -5.906) 5.952 2.451 ( 0.000 -5.136 -9.445) 10.751 2.451 ( 0.000 5.136 -9.445) 10.751 2.474 ( 0.000 -0.000 4.168) 4.168 2.474 ( 0.000 0.000 4.168) 4.168 2.621 ( 0.000 -8.330 1.177) 8.413 2.621 ( 0.000 8.330 1.177) 8.413 2.677 ( 0.000 -9.311 -0.954) 9.360 2.677 ( 0.000 9.311 -0.954) 9.360 2.718 ( 0.000 -9.088 -1.690) 9.244 2.718 ( 0.000 9.088 -1.690) 9.244 2.788 ( 0.000 -5.260 -1.158) 5.386 2.788 ( 0.000 5.260 -1.158) 5.386 2.876 ( 0.000 -1.740 -4.651) 4.966 2.876 ( 0.000 1.740 -4.651) 4.966 2.975 ( 0.000 -1.487 3.634) 3.927 2.975 ( 0.000 1.487 3.634) 3.927 3.038 ( 0.000 -5.275 4.457) 6.906 3.038 ( 0.000 5.275 4.457) 6.906 3.088 ( 0.000 -1.361 -2.681) 3.007 3.088 ( 0.000 1.361 -2.681) 3.007 3.205 ( 0.000 -6.114 -0.549) 6.139 3.205 ( 0.000 6.114 -0.549) 6.139 3.240 ( 0.000 -8.502 5.903) 10.350 3.240 ( 0.000 8.502 5.903) 10.350 3.349 ( 0.000 -4.108 6.107) 7.360 3.349 ( 0.000 4.108 6.107) 7.360 3.445 ( 0.000 -5.338 0.789) 5.396 3.445 ( 0.000 5.338 0.789) 5.396 3.512 ( 0.000 -7.587 -2.507) 7.990 3.512 ( 0.000 7.587 -2.507) 7.990 3.614 ( 0.000 -11.744 0.717) 11.765 3.614 ( 0.000 11.744 0.717) 11.765 3.727 ( 0.000 -9.238 -4.965) 10.488 3.727 ( 0.000 9.238 -4.965) 10.488 3.784 ( 0.000 -4.009 4.218) 5.819 3.784 ( 0.000 4.009 4.218) 5.819 3.921 ( 0.000 -5.954 -1.726) 6.199 3.921 ( 0.000 5.954 -1.726) 6.199 3.948 ( 0.000 -15.807 3.598) 16.211 3.948 ( 0.000 15.807 3.598) 16.211 3.995 ( 0.000 -9.450 1.987) 9.656 3.995 ( 0.000 9.450 1.987) 9.656 4.050 ( 0.000 -17.236 1.791) 17.329 4.050 ( 0.000 17.236 1.791) 17.329 4.107 ( 0.000 -7.252 -5.094) 8.863 4.107 ( 0.000 7.252 -5.094) 8.863 4.243 ( 0.000 -8.358 -1.248) 8.451 4.243 ( 0.000 8.358 -1.248) 8.451 4.354 ( 0.000 -6.356 -3.451) 7.233 4.354 ( 0.000 6.356 -3.451) 7.233 4.431 ( 0.000 -6.190 0.255) 6.196 4.431 ( 0.000 6.190 0.255) 6.196 4.512 ( 0.000 -7.340 4.070) 8.393 4.512 ( 0.000 7.340 4.070) 8.393 4.638 ( 0.000 -1.659 -1.352) 2.140 4.638 ( 0.000 1.659 -1.352) 2.140 4.671 ( 0.000 -8.471 -0.025) 8.471 4.671 ( 0.000 8.471 -0.025) 8.471 4.739 ( 0.000 -0.717 2.304) 2.413 4.739 ( 0.000 0.717 2.304) 2.413 4.817 ( 0.000 -2.523 -3.166) 4.049 4.817 ( 0.000 2.523 -3.166) 4.049 4.884 ( 0.000 -4.796 1.088) 4.918 4.884 ( 0.000 4.796 1.088) 4.918 5.070 ( 0.000 -1.039 -4.752) 4.864 5.070 ( 0.000 1.039 -4.752) 4.864 5.192 ( 0.000 -1.048 -0.755) 1.291 5.192 ( 0.000 1.048 -0.755) 1.291 5.253 ( 0.000 -0.000 -2.630) 2.630 5.253 ( 0.000 0.000 -2.630) 2.630 5.301 ( 0.000 -2.184 -0.720) 2.300 5.301 ( 0.000 2.184 -0.720) 2.300 5.399 ( 0.000 -0.528 -0.024) 0.528 5.399 ( 0.000 0.528 -0.024) 0.528 5.565 ( 0.000 -0.658 2.140) 2.239 5.565 ( 0.000 0.658 2.140) 2.239 5.604 ( 0.000 -3.069 2.202) 3.777 5.604 ( 0.000 3.069 2.202) 3.777 5.899 ( 0.000 -3.134 4.035) 5.109 5.899 ( 0.000 3.134 4.035) 5.109 6.031 ( 0.000 -0.353 -0.763) 0.840 6.031 ( 0.000 0.353 -0.763) 0.840 6.209 ( 0.000 -2.075 2.515) 3.260 6.209 ( 0.000 2.075 2.515) 3.260 6.355 ( 0.000 -0.159 -3.517) 3.521 6.355 ( 0.000 0.159 -3.517) 3.521 7.072 ( 0.000 -1.250 -0.617) 1.394 7.072 ( 0.000 1.250 -0.617) 1.394 7.112 ( 0.000 -0.922 -3.059) 3.195 7.112 ( 0.000 0.922 -3.059) 3.195 7.233 ( 0.000 -2.039 3.702) 4.226 7.233 ( 0.000 2.039 3.702) 4.226 7.302 ( 0.000 -0.951 0.607) 1.129 7.302 ( 0.000 0.951 0.607) 1.129 8.181 ( 0.000 -6.567 0.785) 6.614 8.181 ( 0.000 6.567 0.785) 6.614 8.238 ( 0.000 -6.297 -0.657) 6.331 8.238 ( 0.000 6.297 -0.657) 6.331 8.379 ( 0.000 -1.678 2.796) 3.261 8.379 ( 0.000 1.678 2.796) 3.261 8.526 ( 0.000 -2.597 -3.118) 4.058 8.526 ( 0.000 2.597 -3.118) 4.058 9.035 ( 0.000 -0.160 0.443) 0.471 9.035 ( 0.000 0.160 0.443) 0.471 9.110 ( 0.000 -4.875 -2.366) 5.419 9.110 ( 0.000 4.875 -2.366) 5.419 9.301 ( 0.000 -1.041 0.887) 1.368 9.301 ( 0.000 1.041 0.887) 1.368 9.378 ( 0.000 -0.025 -3.570) 3.570 9.378 ( 0.000 0.025 -3.570) 3.570 9.591 ( 0.000 -6.332 7.178) 9.572 9.591 ( 0.000 6.332 7.178) 9.572 9.733 ( 0.000 -0.220 -1.764) 1.778 9.733 ( 0.000 0.220 -1.764) 1.778 9.818 ( 0.000 -0.815 2.657) 2.779 9.818 ( 0.000 0.815 2.657) 2.779 9.871 ( 0.000 -3.180 0.439) 3.210 9.871 ( 0.000 3.180 0.439) 3.210 10.154 ( 0.000 -1.463 1.753) 2.283 10.154 ( 0.000 1.463 1.753) 2.283 10.424 ( 0.000 -7.660 -8.524) 11.460 10.424 ( 0.000 7.660 -8.524) 11.460 10.642 ( 0.000 -2.235 8.124) 8.426 10.642 ( 0.000 2.235 8.124) 8.426 11.081 ( 0.000 -4.045 -9.579) 10.398 11.081 ( 0.000 4.045 -9.579) 10.398 11.212 ( 0.000 -17.443 3.955) 17.885 11.212 ( 0.000 17.443 3.955) 17.885 11.398 ( 0.000 -14.131 -6.311) 15.476 11.398 ( 0.000 14.131 -6.311) 15.476 11.817 ( 0.000 -5.146 12.429) 13.453 11.817 ( 0.000 5.146 12.429) 13.453 12.265 ( 0.000 -4.668 -11.351) 12.274 12.265 ( 0.000 4.668 -11.351) 12.274 12.614 ( 0.000 -6.410 6.636) 9.226 12.614 ( 0.000 6.410 6.636) 9.226 12.808 ( 0.000 -4.427 -4.423) 6.258 12.808 ( 0.000 4.427 -4.423) 6.258 13.057 ( 0.000 -3.297 6.868) 7.619 13.057 ( 0.000 3.297 6.868) 7.619 13.302 ( 0.000 -5.145 -4.551) 6.869 13.302 ( 0.000 5.145 -4.551) 6.869 16.606 ( 0.000 -5.325 2.285) 5.795 16.606 ( 0.000 5.325 2.285) 5.795 16.668 ( 0.000 -5.423 -0.635) 5.460 16.668 ( 0.000 5.423 -0.635) 5.460 16.959 ( 0.000 -0.234 2.533) 2.543 16.959 ( 0.000 0.234 2.533) 2.543 17.115 ( 0.000 -1.306 -3.414) 3.655 17.115 ( 0.000 1.306 -3.414) 3.655 17.359 ( 0.000 -9.824 0.086) 9.825 17.359 ( 0.000 9.824 0.086) 9.825 17.391 ( 0.000 -10.375 -0.073) 10.375 17.391 ( 0.000 10.375 -0.073) 10.375 18.911 ( 0.000 -1.521 1.866) 2.408 18.911 ( 0.000 1.521 1.866) 2.408 19.002 ( 0.000 -1.357 -2.081) 2.485 19.002 ( 0.000 1.357 -2.081) 2.485 ======================= Grid point 67 (29/45) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.551 0.000 5.251) 5.280 1.642 ( -0.987 0.000 7.265) 7.332 1.853 ( 2.487 0.000 -1.786) 3.061 1.865 ( 2.568 -0.000 -1.269) 2.865 1.987 ( 0.082 0.000 -1.383) 1.386 2.017 ( -0.314 0.000 0.069) 0.321 2.112 ( 3.289 0.000 6.697) 7.461 2.138 ( -0.355 -0.000 1.106) 1.162 2.192 ( 1.574 0.000 -7.762) 7.920 2.198 ( 4.392 -0.000 3.227) 5.450 2.305 ( -7.148 -0.000 4.273) 8.327 2.343 ( -4.749 0.000 -1.356) 4.939 2.456 ( -1.924 0.000 -5.072) 5.425 2.495 ( -2.777 0.000 -3.863) 4.757 2.575 ( -7.186 0.000 -4.272) 8.360 2.579 ( -10.878 -0.000 -5.941) 12.395 2.658 ( -2.722 0.000 5.140) 5.817 2.670 ( 0.389 0.000 -4.170) 4.188 2.757 ( 0.237 0.000 0.841) 0.874 2.770 ( 3.741 0.000 -2.365) 4.426 2.775 ( 1.658 0.000 -0.175) 1.667 2.828 ( 8.358 -0.000 -1.799) 8.550 2.847 ( 0.738 0.000 -1.081) 1.309 2.863 ( 2.347 0.000 -0.356) 2.374 2.987 ( 1.749 0.000 0.518) 1.824 3.010 ( 3.800 0.000 0.764) 3.877 3.015 ( -1.260 -0.000 -1.655) 2.080 3.070 ( 0.076 0.000 0.761) 0.765 3.083 ( -0.582 0.000 -1.785) 1.877 3.136 ( -2.210 0.000 3.414) 4.066 3.138 ( -0.160 -0.000 4.920) 4.923 3.181 ( -0.741 0.000 2.119) 2.245 3.260 ( 3.457 0.000 3.125) 4.660 3.361 ( -0.706 -0.000 3.878) 3.942 3.390 ( 7.901 0.000 -0.008) 7.901 3.438 ( 1.656 0.000 -3.092) 3.508 3.461 ( 5.655 -0.000 3.999) 6.926 3.474 ( -1.940 0.000 -1.089) 2.225 3.512 ( 0.123 -0.000 -2.124) 2.128 3.525 ( 4.879 0.000 2.588) 5.523 3.594 ( -1.969 0.000 2.401) 3.105 3.609 ( 1.521 -0.000 -1.248) 1.968 3.665 ( 0.470 0.000 -3.799) 3.828 3.788 ( -2.822 -0.000 -0.773) 2.926 3.798 ( 2.246 0.000 -0.206) 2.255 3.811 ( 2.949 0.000 -0.256) 2.960 3.827 ( -4.063 0.000 -0.490) 4.092 3.869 ( -1.600 -0.000 5.245) 5.484 3.909 ( -3.626 0.000 -7.805) 8.606 3.939 ( -3.767 -0.000 0.863) 3.865 4.010 ( -1.041 -0.000 0.926) 1.393 4.012 ( 1.687 0.000 1.064) 1.995 4.071 ( -4.200 0.000 5.024) 6.548 4.079 ( -5.346 0.000 0.780) 5.403 4.127 ( 7.527 0.000 5.026) 9.051 4.142 ( -4.275 -0.000 0.352) 4.289 4.173 ( 6.648 -0.000 -0.475) 6.665 4.219 ( -3.929 0.000 -2.237) 4.522 4.313 ( 2.705 0.000 -4.552) 5.295 4.382 ( 3.634 0.000 -4.032) 5.428 4.433 ( 0.897 -0.000 2.177) 2.355 4.485 ( 0.367 0.000 1.045) 1.108 4.500 ( -2.902 -0.000 -1.167) 3.128 4.521 ( -4.640 0.000 5.248) 7.005 4.550 ( 1.784 0.000 4.144) 4.511 4.593 ( 0.392 0.000 -4.511) 4.528 4.617 ( -3.829 -0.000 6.040) 7.152 4.688 ( -3.592 0.000 1.127) 3.765 4.709 ( -3.058 0.000 -4.295) 5.273 4.732 ( -0.192 0.000 -1.952) 1.961 4.817 ( 3.354 0.000 -5.042) 6.056 4.873 ( 2.954 0.000 0.840) 3.071 4.900 ( 4.495 0.000 -2.242) 5.023 4.992 ( -2.503 0.000 -2.625) 3.627 5.007 ( 1.690 0.000 -2.734) 3.214 5.068 ( -2.339 0.000 7.611) 7.963 5.121 ( -5.616 0.000 1.763) 5.886 5.230 ( 3.931 -0.000 -6.400) 7.511 5.232 ( 1.330 0.000 -0.874) 1.591 5.266 ( -0.634 0.000 1.638) 1.756 5.280 ( 3.163 0.000 -1.686) 3.584 5.320 ( -0.681 0.000 -3.642) 3.705 5.387 ( -5.702 0.000 -6.062) 8.322 5.400 ( -1.076 -0.000 -2.508) 2.729 5.526 ( -0.601 0.000 3.227) 3.283 5.580 ( -2.153 0.000 3.039) 3.724 5.607 ( 3.831 0.000 1.193) 4.013 5.699 ( 4.336 0.000 -1.556) 4.607 5.794 ( -5.319 0.000 5.023) 7.316 5.926 ( -1.470 0.000 3.915) 4.182 5.954 ( -3.986 0.000 1.208) 4.165 5.969 ( -0.765 0.000 -0.622) 0.986 6.242 ( 2.813 0.000 2.074) 3.495 6.280 ( 2.364 0.000 3.138) 3.929 6.363 ( 1.292 0.000 -2.448) 2.768 6.376 ( 0.526 0.000 -1.378) 1.475 7.058 ( 0.196 0.000 -1.125) 1.142 7.088 ( -0.067 -0.000 -0.746) 0.749 7.103 ( -0.215 0.000 -3.064) 3.071 7.119 ( -0.441 0.000 -2.462) 2.501 7.226 ( -0.087 0.000 3.367) 3.368 7.236 ( 0.014 0.000 3.703) 3.703 7.305 ( 1.427 0.000 -0.493) 1.510 7.329 ( 1.076 0.000 -0.223) 1.098 8.217 ( 2.540 0.000 0.511) 2.591 8.223 ( 2.611 -0.000 1.115) 2.839 8.260 ( 2.071 -0.000 -0.906) 2.261 8.313 ( 4.353 -0.000 -2.214) 4.884 8.348 ( -0.461 0.000 4.054) 4.080 8.419 ( 2.221 0.000 3.879) 4.470 8.543 ( 2.898 0.000 -4.517) 5.367 8.581 ( 3.630 0.000 -2.930) 4.665 8.977 ( -3.985 0.000 0.774) 4.059 8.999 ( -3.470 0.000 1.379) 3.734 9.072 ( -3.460 0.000 -2.939) 4.540 9.083 ( -2.854 -0.000 -2.226) 3.620 9.299 ( -0.129 0.000 1.504) 1.509 9.305 ( -0.056 -0.000 1.695) 1.695 9.377 ( 0.774 0.000 -1.865) 2.019 9.390 ( 0.701 0.000 -2.789) 2.876 9.492 ( -3.718 0.000 5.717) 6.820 9.549 ( -4.949 0.000 6.641) 8.283 9.689 ( -1.985 0.000 -3.942) 4.414 9.735 ( -2.437 -0.000 -2.544) 3.523 9.832 ( 1.977 -0.000 2.905) 3.514 9.839 ( 1.398 0.000 2.399) 2.777 9.867 ( 0.344 0.000 0.972) 1.031 9.878 ( -0.180 -0.000 0.871) 0.890 10.165 ( 1.191 0.000 0.534) 1.305 10.173 ( 0.924 -0.000 1.439) 1.711 10.399 ( -0.727 0.000 -6.508) 6.548 10.434 ( -1.090 -0.000 -11.713) 11.763 10.618 ( 2.327 0.000 10.957) 11.201 10.716 ( 2.052 0.000 7.653) 7.923 11.093 ( 2.451 0.000 -7.234) 7.638 11.136 ( 0.309 -0.000 -6.122) 6.130 11.189 ( 0.916 0.000 2.859) 3.002 11.212 ( -2.625 -0.000 1.744) 3.151 11.419 ( 4.063 0.000 -5.376) 6.738 11.448 ( 2.144 0.000 -6.123) 6.487 11.821 ( 5.019 0.000 8.558) 9.921 11.923 ( 5.230 0.000 11.475) 12.610 12.207 ( -1.297 0.000 -11.195) 11.269 12.327 ( -1.166 0.000 -10.001) 10.069 12.533 ( -2.387 0.000 5.888) 6.353 12.694 ( -1.738 -0.000 9.345) 9.505 12.696 ( -0.378 0.000 -4.096) 4.113 12.828 ( -1.191 0.000 2.187) 2.490 13.031 ( 3.682 0.000 -0.259) 3.691 13.131 ( 1.157 0.000 3.666) 3.844 13.202 ( -7.166 0.000 -5.163) 8.832 13.245 ( -5.553 -0.000 -2.000) 5.902 16.604 ( 0.581 0.000 1.713) 1.809 16.628 ( 0.480 -0.000 2.267) 2.317 16.680 ( 1.132 0.000 -0.723) 1.343 16.681 ( 0.859 -0.000 -1.315) 1.570 16.948 ( 0.570 0.000 2.392) 2.459 16.989 ( 1.158 0.000 4.680) 4.821 17.116 ( 2.072 0.000 -4.411) 4.874 17.186 ( 3.993 0.000 -1.866) 4.407 17.303 ( -4.298 0.000 -1.695) 4.620 17.333 ( -2.737 -3.267 0.019) 4.262 17.333 ( -2.688 3.267 0.525) 4.263 17.382 ( -2.103 0.000 0.005) 2.103 18.919 ( 0.691 -0.000 1.601) 1.744 18.921 ( 0.702 0.000 1.604) 1.751 18.999 ( -0.176 0.000 -1.836) 1.844 19.001 ( -0.162 0.000 -1.839) 1.846 ======================= Grid point 69 (30/45) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -1.458 0.000 5.779) 5.960 1.608 ( 1.458 0.000 5.779) 5.960 1.866 ( -0.533 0.000 -4.633) 4.664 1.866 ( 0.533 0.000 -4.633) 4.664 2.091 ( -1.776 0.000 2.842) 3.351 2.091 ( 1.776 0.000 2.842) 3.351 2.112 ( -0.312 0.000 0.443) 0.542 2.112 ( 0.312 -0.000 0.443) 0.542 2.211 ( -0.644 -0.000 3.526) 3.584 2.211 ( 0.644 -0.000 3.526) 3.584 2.312 ( -9.916 0.000 -2.015) 10.119 2.312 ( 9.916 0.000 -2.015) 10.119 2.368 ( -5.051 0.000 -2.326) 5.561 2.368 ( 5.051 0.000 -2.326) 5.561 2.479 ( -3.868 0.000 -5.947) 7.094 2.479 ( 3.868 0.000 -5.947) 7.094 2.604 ( -0.172 0.000 7.773) 7.775 2.604 ( 0.172 0.000 7.773) 7.775 2.792 ( -0.330 0.000 -2.915) 2.934 2.792 ( 0.330 0.000 -2.915) 2.934 2.850 ( -2.487 0.000 -1.113) 2.725 2.850 ( 2.487 0.000 -1.113) 2.725 2.940 ( -6.208 -0.000 -3.058) 6.921 2.940 ( 6.208 0.000 -3.058) 6.921 2.991 ( -3.465 0.000 1.846) 3.926 2.991 ( 3.465 -0.000 1.846) 3.926 3.047 ( -3.771 -0.000 -0.404) 3.793 3.047 ( 3.771 0.000 -0.404) 3.793 3.110 ( -1.845 0.000 1.191) 2.196 3.110 ( 1.845 0.000 1.191) 2.196 3.183 ( -1.827 0.000 -1.315) 2.251 3.183 ( 1.827 0.000 -1.315) 2.251 3.317 ( -2.884 0.000 -0.753) 2.981 3.317 ( 2.884 0.000 -0.753) 2.981 3.415 ( -1.339 0.000 -2.517) 2.851 3.415 ( 1.339 -0.000 -2.517) 2.851 3.509 ( -1.300 -0.000 1.437) 1.938 3.509 ( 1.300 0.000 1.437) 1.938 3.572 ( -0.067 0.000 1.862) 1.863 3.572 ( 0.067 0.000 1.862) 1.863 3.617 ( -4.353 0.000 -1.353) 4.558 3.617 ( 4.353 0.000 -1.353) 4.558 3.738 ( -4.280 0.000 -2.633) 5.025 3.738 ( 4.280 0.000 -2.633) 5.025 3.785 ( -5.215 0.000 6.677) 8.472 3.785 ( 5.215 0.000 6.677) 8.472 3.853 ( -1.426 0.000 -2.582) 2.950 3.853 ( 1.426 0.000 -2.582) 2.950 3.889 ( -1.523 0.000 3.594) 3.903 3.889 ( 1.523 0.000 3.594) 3.903 3.961 ( -0.663 0.000 -1.520) 1.658 3.961 ( 0.663 0.000 -1.520) 1.658 3.998 ( -3.475 0.000 -0.578) 3.522 3.998 ( 3.475 0.000 -0.578) 3.522 4.109 ( -1.745 0.000 -2.425) 2.987 4.109 ( 1.745 0.000 -2.425) 2.987 4.339 ( -0.620 0.000 5.460) 5.495 4.339 ( 0.620 -0.000 5.460) 5.495 4.348 ( -0.012 0.000 1.939) 1.939 4.348 ( 0.012 0.000 1.939) 1.939 4.437 ( -5.470 0.000 1.061) 5.572 4.437 ( 5.470 0.000 1.061) 5.572 4.483 ( -0.300 -0.000 -0.823) 0.876 4.483 ( 0.300 -0.000 -0.823) 0.876 4.583 ( -0.160 -0.000 2.461) 2.466 4.583 ( 0.160 0.000 2.461) 2.466 4.640 ( -2.941 -0.000 1.206) 3.179 4.640 ( 2.941 0.000 1.206) 3.179 4.675 ( -2.109 -0.000 -0.368) 2.141 4.675 ( 2.109 0.000 -0.368) 2.141 4.879 ( -3.563 0.000 -4.915) 6.071 4.879 ( 3.563 0.000 -4.915) 6.071 4.923 ( -1.622 0.000 -2.667) 3.122 4.923 ( 1.622 0.000 -2.667) 3.122 5.054 ( -3.788 0.000 -2.844) 4.737 5.054 ( 3.788 0.000 -2.844) 4.737 5.189 ( -1.992 0.000 4.664) 5.071 5.189 ( 1.992 0.000 4.664) 5.071 5.252 ( -2.855 0.000 -3.386) 4.429 5.252 ( 2.855 0.000 -3.386) 4.429 5.297 ( -0.630 0.000 -3.740) 3.793 5.297 ( 0.630 0.000 -3.740) 3.793 5.345 ( -3.356 -0.000 -2.428) 4.142 5.345 ( 3.356 0.000 -2.428) 4.142 5.532 ( -1.272 0.000 3.932) 4.133 5.532 ( 1.272 0.000 3.932) 4.133 5.682 ( -2.625 0.000 -2.730) 3.788 5.682 ( 2.625 0.000 -2.730) 3.788 5.828 ( -4.395 0.000 5.935) 7.385 5.828 ( 4.395 0.000 5.935) 7.385 5.956 ( -0.834 0.000 -0.487) 0.966 5.956 ( 0.834 0.000 -0.487) 0.966 6.292 ( -1.350 0.000 2.866) 3.168 6.292 ( 1.351 0.000 2.866) 3.168 6.379 ( -0.092 0.000 -0.617) 0.624 6.379 ( 0.092 0.000 -0.617) 0.624 7.074 ( -1.036 0.000 -1.174) 1.566 7.074 ( 1.036 0.000 -1.174) 1.566 7.103 ( -0.431 0.000 -2.294) 2.334 7.103 ( 0.431 0.000 -2.294) 2.334 7.232 ( -0.374 0.000 3.251) 3.272 7.232 ( 0.374 0.000 3.251) 3.272 7.336 ( -0.690 0.000 -1.273) 1.447 7.336 ( 0.690 0.000 -1.273) 1.447 8.251 ( -0.205 0.000 0.664) 0.695 8.251 ( 0.205 0.000 0.664) 0.695 8.302 ( -1.768 0.000 -0.462) 1.827 8.302 ( 1.768 0.000 -0.462) 1.827 8.431 ( -2.684 0.000 3.114) 4.110 8.431 ( 2.684 0.000 3.114) 4.110 8.619 ( -1.879 0.000 -4.651) 5.016 8.619 ( 1.879 0.000 -4.651) 5.016 8.931 ( -1.190 0.000 1.778) 2.140 8.931 ( 1.190 0.000 1.778) 2.140 9.020 ( -0.815 0.000 -2.116) 2.268 9.020 ( 0.815 0.000 -2.116) 2.268 9.300 ( -0.268 0.000 2.647) 2.661 9.300 ( 0.268 0.000 2.647) 2.661 9.398 ( -0.618 0.000 -1.682) 1.792 9.398 ( 0.618 0.000 -1.682) 1.792 9.467 ( -1.740 0.000 5.514) 5.782 9.467 ( 1.740 0.000 5.514) 5.782 9.681 ( -1.437 0.000 -3.710) 3.979 9.681 ( 1.437 0.000 -3.710) 3.979 9.862 ( -0.264 0.000 1.232) 1.259 9.862 ( 0.264 0.000 1.232) 1.259 9.869 ( -0.035 0.000 1.141) 1.142 9.869 ( 0.035 -0.000 1.141) 1.142 10.183 ( -0.169 0.000 0.469) 0.498 10.183 ( 0.169 0.000 0.469) 0.498 10.402 ( -1.072 0.000 -7.425) 7.502 10.402 ( 1.072 0.000 -7.425) 7.502 10.699 ( -3.428 0.000 7.853) 8.569 10.699 ( 3.428 0.000 7.853) 8.569 11.150 ( -1.563 0.000 -4.139) 4.424 11.150 ( 1.563 0.000 -4.139) 4.424 11.162 ( -2.693 0.000 2.656) 3.782 11.162 ( 2.693 0.000 2.656) 3.782 11.482 ( -0.348 0.000 -6.126) 6.136 11.482 ( 0.348 0.000 -6.126) 6.136 11.968 ( -4.047 0.000 5.158) 6.556 11.968 ( 4.047 0.000 5.158) 6.556 12.223 ( -3.952 0.000 -7.520) 8.495 12.223 ( 3.952 0.000 -7.520) 8.495 12.546 ( -5.493 0.000 9.313) 10.812 12.546 ( 5.493 0.000 9.313) 10.812 12.815 ( -5.994 0.000 -3.658) 7.022 12.815 ( 5.994 0.000 -3.658) 7.022 13.100 ( -3.029 0.000 0.279) 3.042 13.100 ( 3.029 0.000 0.279) 3.042 13.130 ( -2.814 -0.000 -1.021) 2.994 13.130 ( 2.814 0.000 -1.021) 2.994 16.622 ( -0.795 0.000 1.648) 1.830 16.622 ( 0.795 0.000 1.648) 1.830 16.694 ( -0.109 0.000 -1.428) 1.432 16.694 ( 0.109 0.000 -1.428) 1.432 16.983 ( -1.843 0.000 4.494) 4.858 16.983 ( 1.843 0.000 4.494) 4.858 17.196 ( -4.873 0.000 -3.750) 6.149 17.196 ( 4.873 0.000 -3.750) 6.149 17.266 ( -3.177 -0.000 0.281) 3.190 17.266 ( 3.177 0.000 0.281) 3.190 17.323 ( -2.264 0.000 -0.437) 2.306 17.323 ( 2.264 0.000 -0.437) 2.306 18.930 ( -0.080 0.000 1.316) 1.318 18.930 ( 0.080 0.000 1.316) 1.318 18.997 ( -0.070 0.000 -1.568) 1.570 18.997 ( 0.070 0.000 -1.568) 1.570 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.000 0.000 -24.351) 24.351 0.994 ( 0.000 0.000 24.351) 24.351 1.091 ( 0.000 0.000 -28.495) 28.495 1.091 ( 0.000 0.000 28.495) 28.495 1.475 ( 0.000 0.000 -0.294) 0.294 1.475 ( 0.000 0.000 0.294) 0.294 1.680 ( 0.000 0.000 -15.325) 15.325 1.680 ( 0.000 0.000 15.325) 15.325 1.866 ( 0.000 0.000 -19.412) 19.412 1.866 ( 0.000 0.000 19.412) 19.412 1.884 ( 0.000 0.000 -10.140) 10.140 1.884 ( 0.000 0.000 10.140) 10.140 2.198 ( 0.000 0.000 -14.396) 14.396 2.198 ( 0.000 0.000 14.396) 14.396 2.360 ( 0.000 0.000 -4.021) 4.021 2.360 ( 0.000 0.000 4.021) 4.021 2.420 ( 0.000 0.000 -4.554) 4.554 2.420 ( 0.000 0.000 4.554) 4.554 2.508 ( 0.000 0.000 -1.076) 1.076 2.508 ( 0.000 0.000 1.076) 1.076 2.514 ( 0.000 0.000 -0.831) 0.831 2.514 ( 0.000 0.000 0.831) 0.831 2.605 ( 0.000 0.000 -0.767) 0.767 2.605 ( 0.000 0.000 0.767) 0.767 2.691 ( 0.000 0.000 -4.260) 4.260 2.691 ( 0.000 0.000 4.260) 4.260 2.768 ( 0.000 0.000 -4.141) 4.141 2.768 ( 0.000 0.000 4.141) 4.141 2.994 ( 0.000 0.000 -10.734) 10.734 2.994 ( 0.000 0.000 10.734) 10.734 3.015 ( 0.000 0.000 -1.066) 1.066 3.015 ( 0.000 0.000 1.066) 1.066 3.128 ( 0.000 0.000 -1.349) 1.349 3.128 ( 0.000 0.000 1.349) 1.349 3.228 ( 0.000 0.000 -6.291) 6.291 3.228 ( 0.000 0.000 6.291) 6.291 3.257 ( 0.000 0.000 -4.227) 4.227 3.257 ( 0.000 0.000 4.227) 4.227 3.399 ( 0.000 0.000 -1.178) 1.178 3.399 ( 0.000 0.000 1.178) 1.178 3.458 ( 0.000 0.000 -12.566) 12.566 3.458 ( 0.000 0.000 12.566) 12.566 3.601 ( 0.000 0.000 -0.873) 0.873 3.601 ( 0.000 0.000 0.873) 0.873 3.696 ( 0.000 0.000 -3.406) 3.406 3.696 ( 0.000 0.000 3.406) 3.406 3.726 ( 0.000 0.000 -9.257) 9.257 3.726 ( 0.000 0.000 9.257) 9.257 3.835 ( 0.000 0.000 -3.011) 3.011 3.835 ( 0.000 0.000 3.011) 3.011 4.013 ( 0.000 0.000 -6.550) 6.550 4.013 ( 0.000 0.000 6.550) 6.550 4.150 ( 0.000 0.000 -2.092) 2.092 4.150 ( 0.000 0.000 2.092) 2.092 4.282 ( 0.000 0.000 -3.916) 3.916 4.282 ( 0.000 0.000 3.916) 3.916 4.341 ( 0.000 0.000 -0.854) 0.854 4.341 ( 0.000 0.000 0.854) 0.854 4.374 ( 0.000 0.000 -6.909) 6.909 4.374 ( 0.000 0.000 6.909) 6.909 4.505 ( 0.000 0.000 -1.242) 1.242 4.505 ( 0.000 0.000 1.242) 1.242 4.600 ( 0.000 0.000 -9.234) 9.234 4.600 ( 0.000 0.000 9.234) 9.234 4.711 ( 0.000 0.000 -1.257) 1.257 4.711 ( 0.000 0.000 1.257) 1.257 4.727 ( 0.000 0.000 -8.571) 8.571 4.727 ( 0.000 0.000 8.571) 8.571 4.886 ( 0.000 0.000 -4.471) 4.471 4.886 ( 0.000 0.000 4.471) 4.471 4.892 ( 0.000 0.000 -1.944) 1.944 4.892 ( 0.000 0.000 1.944) 1.944 5.011 ( 0.000 0.000 -6.604) 6.604 5.011 ( 0.000 0.000 6.604) 6.604 5.175 ( 0.000 0.000 -16.502) 16.502 5.175 ( 0.000 0.000 16.502) 16.502 5.269 ( 0.000 0.000 -1.425) 1.425 5.269 ( 0.000 0.000 1.425) 1.425 5.375 ( 0.000 0.000 -2.286) 2.286 5.375 ( 0.000 0.000 2.286) 2.286 5.420 ( 0.000 0.000 -4.396) 4.396 5.420 ( 0.000 0.000 4.396) 4.396 5.460 ( 0.000 0.000 -3.580) 3.580 5.460 ( 0.000 0.000 3.580) 3.580 5.592 ( 0.000 0.000 -1.846) 1.846 5.592 ( 0.000 0.000 1.846) 1.846 5.687 ( 0.000 0.000 -2.424) 2.424 5.687 ( 0.000 0.000 2.424) 2.424 5.889 ( 0.000 0.000 -2.475) 2.475 5.889 ( 0.000 0.000 2.475) 2.475 5.947 ( 0.000 0.000 -4.877) 4.877 5.947 ( 0.000 0.000 4.877) 4.877 6.308 ( 0.000 0.000 -0.510) 0.510 6.308 ( 0.000 0.000 0.510) 0.510 6.660 ( 0.000 0.000 -0.973) 0.973 6.660 ( 0.000 0.000 0.973) 0.973 7.061 ( 0.000 0.000 -1.408) 1.408 7.061 ( 0.000 0.000 1.408) 1.408 7.170 ( 0.000 0.000 -0.705) 0.705 7.170 ( 0.000 0.000 0.705) 0.705 7.236 ( 0.000 0.000 -2.927) 2.927 7.236 ( 0.000 0.000 2.927) 2.927 7.297 ( 0.000 0.000 -2.992) 2.992 7.297 ( 0.000 0.000 2.992) 2.992 7.922 ( 0.000 0.000 -2.831) 2.831 7.922 ( 0.000 0.000 2.831) 2.831 8.057 ( 0.000 0.000 -3.239) 3.239 8.057 ( 0.000 0.000 3.239) 3.239 8.087 ( 0.000 0.000 -1.905) 1.905 8.087 ( 0.000 0.000 1.905) 1.905 8.609 ( 0.000 0.000 -2.929) 2.929 8.609 ( 0.000 0.000 2.929) 2.929 8.700 ( 0.000 0.000 -1.595) 1.595 8.700 ( 0.000 0.000 1.595) 1.595 9.027 ( 0.000 0.000 -2.586) 2.586 9.027 ( 0.000 0.000 2.586) 2.586 9.310 ( 0.000 0.000 -6.085) 6.085 9.310 ( 0.000 0.000 6.085) 6.085 9.506 ( 0.000 0.000 -1.287) 1.287 9.506 ( 0.000 0.000 1.287) 1.287 9.680 ( 0.000 0.000 -4.919) 4.919 9.680 ( 0.000 0.000 4.919) 4.919 9.730 ( 0.000 0.000 -1.120) 1.120 9.730 ( 0.000 0.000 1.120) 1.120 10.026 ( 0.000 0.000 -17.572) 17.572 10.026 ( 0.000 0.000 17.572) 17.572 10.241 ( 0.000 0.000 -3.946) 3.946 10.241 ( 0.000 0.000 3.946) 3.946 10.515 ( 0.000 0.000 -2.370) 2.370 10.515 ( 0.000 0.000 2.370) 2.370 10.822 ( 0.000 0.000 -0.953) 0.953 10.822 ( 0.000 0.000 0.953) 0.953 10.910 ( 0.000 0.000 -5.576) 5.576 10.910 ( 0.000 0.000 5.576) 5.576 11.188 ( 0.000 0.000 -2.010) 2.010 11.188 ( 0.000 0.000 2.010) 2.010 11.464 ( 0.000 0.000 -5.268) 5.268 11.464 ( 0.000 0.000 5.268) 5.268 11.773 ( 0.000 0.000 -0.920) 0.920 11.773 ( 0.000 0.000 0.920) 0.920 11.812 ( 0.000 0.000 -18.558) 18.558 11.812 ( 0.000 0.000 18.558) 18.558 12.147 ( 0.000 0.000 -11.046) 11.046 12.147 ( 0.000 0.000 11.046) 11.046 12.159 ( 0.000 0.000 -10.586) 10.586 12.159 ( 0.000 0.000 10.586) 10.586 12.555 ( 0.000 0.000 -0.380) 0.380 12.555 ( 0.000 0.000 0.380) 0.380 12.819 ( 0.000 0.000 -5.104) 5.104 12.819 ( 0.000 0.000 5.104) 5.104 13.255 ( 0.000 0.000 -0.112) 0.112 13.255 ( 0.000 0.000 0.112) 0.112 16.405 ( 0.000 0.000 -0.187) 0.187 16.405 ( 0.000 0.000 0.187) 0.187 16.855 ( 0.000 0.000 -4.082) 4.082 16.855 ( 0.000 0.000 4.082) 4.082 16.863 ( 0.000 0.000 -1.671) 1.671 16.863 ( 0.000 0.000 1.671) 1.671 17.204 ( 0.000 0.000 -1.563) 1.563 17.204 ( 0.000 0.000 1.563) 1.563 17.229 ( 0.000 0.000 -4.751) 4.751 17.229 ( 0.000 0.000 4.751) 4.751 18.093 ( 0.000 0.000 -1.278) 1.278 18.093 ( 0.000 0.000 1.278) 1.278 18.896 ( 0.000 0.000 -2.764) 2.764 18.896 ( 0.000 0.000 2.764) 2.764 19.073 ( 0.000 0.000 -1.861) 1.861 19.073 ( 0.000 0.000 1.861) 1.861 ======================= Grid point 92 (32/45) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 8.117 0.000 -5.060) 9.565 1.061 ( 8.117 0.000 5.060) 9.565 1.170 ( 8.751 0.000 -2.199) 9.023 1.170 ( 8.751 0.000 2.199) 9.023 1.460 ( -2.385 0.000 -4.068) 4.715 1.460 ( -2.385 0.000 4.068) 4.715 1.694 ( -2.027 0.000 -4.376) 4.823 1.694 ( -2.027 0.000 4.376) 4.823 1.745 ( -6.724 0.000 -4.433) 8.054 1.745 ( -6.724 0.000 4.433) 8.054 2.012 ( 0.340 0.000 -8.925) 8.932 2.012 ( 0.340 0.000 8.925) 8.932 2.170 ( -11.786 0.000 -3.253) 12.227 2.170 ( -11.786 0.000 3.253) 12.227 2.233 ( 2.511 0.000 -9.216) 9.552 2.233 ( 2.511 0.000 9.216) 9.552 2.270 ( -4.838 0.000 -6.121) 7.802 2.270 ( -4.838 0.000 6.121) 7.802 2.481 ( 5.349 0.000 -0.464) 5.369 2.481 ( 5.349 0.000 0.464) 5.369 2.565 ( 4.149 0.000 -8.377) 9.349 2.565 ( 4.149 0.000 8.377) 9.349 2.675 ( 3.993 0.000 -0.235) 4.000 2.675 ( 3.993 0.000 0.235) 4.000 2.785 ( -0.395 0.000 -2.914) 2.941 2.785 ( -0.395 0.000 2.914) 2.941 2.846 ( 0.995 0.000 -0.531) 1.127 2.846 ( 0.995 0.000 0.531) 1.127 2.902 ( 1.027 0.000 -4.479) 4.596 2.902 ( 1.027 0.000 4.479) 4.596 3.045 ( 0.563 0.000 -2.287) 2.356 3.045 ( 0.563 0.000 2.287) 2.356 3.135 ( -4.492 0.000 -3.844) 5.912 3.135 ( -4.492 0.000 3.844) 5.912 3.156 ( -1.146 0.000 -1.852) 2.178 3.156 ( -1.146 0.000 1.852) 2.178 3.220 ( -6.656 0.000 -3.720) 7.625 3.220 ( -6.656 0.000 3.720) 7.625 3.384 ( -6.140 0.000 -11.719) 13.230 3.384 ( -6.140 0.000 11.719) 13.230 3.441 ( 9.276 0.000 -7.786) 12.111 3.441 ( 9.276 0.000 7.786) 12.111 3.723 ( 6.411 0.000 -6.302) 8.990 3.723 ( 6.411 0.000 6.302) 8.990 3.759 ( 3.955 0.000 -3.189) 5.080 3.759 ( 3.955 0.000 3.189) 5.080 3.804 ( 4.524 0.000 -5.045) 6.776 3.804 ( 4.524 0.000 5.045) 6.776 3.902 ( 7.487 0.000 -0.551) 7.507 3.902 ( 7.487 0.000 0.551) 7.507 3.985 ( -1.668 0.000 -3.012) 3.443 3.985 ( -1.668 0.000 3.012) 3.443 4.150 ( 0.862 0.000 -1.002) 1.322 4.150 ( 0.862 0.000 1.002) 1.322 4.220 ( -7.168 0.000 -2.548) 7.608 4.220 ( -7.168 0.000 2.548) 7.608 4.369 ( -1.396 0.000 -1.433) 2.001 4.369 ( -1.396 0.000 1.433) 2.001 4.433 ( 6.721 0.000 -2.956) 7.343 4.433 ( 6.721 0.000 2.956) 7.343 4.468 ( -3.985 0.000 -2.931) 4.947 4.468 ( -3.985 0.000 2.931) 4.947 4.581 ( -1.000 0.000 -3.416) 3.560 4.581 ( -1.000 0.000 3.416) 3.560 4.664 ( -2.328 0.000 -5.668) 6.128 4.664 ( -2.328 0.000 5.668) 6.128 4.708 ( -3.634 0.000 -2.754) 4.560 4.708 ( -3.634 0.000 2.754) 4.560 4.806 ( -1.181 0.000 -2.576) 2.834 4.806 ( -1.181 0.000 2.576) 2.834 4.904 ( 1.122 0.000 -2.703) 2.927 4.904 ( 1.122 0.000 2.703) 2.927 4.943 ( -7.322 0.000 -1.280) 7.433 4.943 ( -7.322 0.000 1.280) 7.433 5.176 ( -4.678 0.000 -2.294) 5.210 5.176 ( -4.678 0.000 2.294) 5.210 5.219 ( 3.111 0.000 -3.481) 4.669 5.219 ( 3.111 0.000 3.481) 4.669 5.405 ( 2.378 0.000 -5.211) 5.728 5.405 ( 2.378 0.000 5.211) 5.728 5.417 ( 0.641 0.000 -1.177) 1.340 5.417 ( 0.641 0.000 1.177) 1.340 5.510 ( 1.112 0.000 -6.146) 6.245 5.510 ( 1.112 0.000 6.146) 6.245 5.681 ( 4.889 0.000 -2.327) 5.415 5.681 ( 4.889 0.000 2.327) 5.415 5.762 ( 3.822 0.000 -0.687) 3.883 5.762 ( 3.822 0.000 0.687) 3.883 5.856 ( 0.144 0.000 -5.073) 5.076 5.856 ( 0.144 0.000 5.073) 5.076 5.964 ( 0.191 0.000 -2.665) 2.671 5.964 ( 0.191 0.000 2.665) 2.671 6.308 ( 0.831 0.000 -0.662) 1.063 6.308 ( 0.831 0.000 0.662) 1.063 6.555 ( -8.479 0.000 -2.119) 8.739 6.555 ( -8.479 0.000 2.119) 8.739 7.005 ( 0.212 0.000 -1.290) 1.308 7.005 ( 0.212 0.000 1.290) 1.308 7.144 ( -2.450 0.000 -1.309) 2.778 7.144 ( -2.450 0.000 1.309) 2.778 7.257 ( 1.162 0.000 -2.206) 2.493 7.257 ( 1.162 0.000 2.206) 2.493 7.311 ( -0.181 0.000 -2.190) 2.197 7.311 ( -0.181 0.000 2.190) 2.197 7.984 ( 2.092 0.000 -0.548) 2.163 7.984 ( 2.092 0.000 0.548) 2.163 8.045 ( -0.787 0.000 -3.032) 3.132 8.045 ( -0.787 0.000 3.032) 3.132 8.288 ( 14.323 0.000 -3.955) 14.859 8.288 ( 14.323 0.000 3.955) 14.859 8.593 ( -1.474 0.000 -1.444) 2.064 8.593 ( -1.474 0.000 1.444) 2.064 8.744 ( 3.531 0.000 -0.586) 3.580 8.744 ( 3.531 0.000 0.586) 3.580 8.963 ( -4.523 0.000 -4.040) 6.065 8.963 ( -4.523 0.000 4.040) 6.065 9.475 ( -0.833 0.000 -3.766) 3.857 9.475 ( -0.833 0.000 3.766) 3.857 9.491 ( 4.633 0.000 -3.970) 6.101 9.491 ( 4.633 0.000 3.970) 6.101 9.571 ( 3.671 0.000 -2.274) 4.318 9.571 ( 3.671 0.000 2.274) 4.318 9.763 ( 0.789 0.000 -0.557) 0.966 9.763 ( 0.789 0.000 0.557) 0.966 10.057 ( -9.142 0.000 -8.054) 12.184 10.057 ( -9.142 0.000 8.054) 12.184 10.152 ( 4.088 0.000 -12.567) 13.215 10.152 ( 4.088 0.000 12.567) 13.215 10.538 ( -4.926 0.000 -6.822) 8.415 10.538 ( -4.926 0.000 6.822) 8.415 10.736 ( 0.381 0.000 -3.852) 3.871 10.736 ( 0.381 0.000 3.852) 3.871 10.955 ( -3.210 0.000 -4.596) 5.606 10.955 ( -3.210 0.000 4.596) 5.606 11.147 ( 2.383 0.000 -6.221) 6.662 11.147 ( 2.383 0.000 6.221) 6.662 11.455 ( -0.562 0.000 -2.022) 2.099 11.455 ( -0.562 0.000 2.022) 2.099 11.663 ( -5.238 0.000 -7.293) 8.979 11.663 ( -5.238 0.000 7.293) 8.979 11.881 ( 2.322 0.000 -5.152) 5.651 11.881 ( 2.322 0.000 5.152) 5.651 12.015 ( -5.780 0.000 -2.677) 6.370 12.015 ( -5.780 0.000 2.677) 6.370 12.243 ( 3.776 0.000 -9.349) 10.083 12.243 ( 3.776 0.000 9.349) 10.083 12.442 ( -5.395 0.000 -0.129) 5.397 12.442 ( -5.395 0.000 0.129) 5.397 13.054 ( 11.753 0.000 -1.166) 11.811 13.054 ( 11.753 0.000 1.166) 11.811 13.255 ( -0.289 0.000 -0.220) 0.363 13.255 ( -0.289 0.000 0.220) 0.363 16.498 ( 7.011 0.000 -3.074) 7.655 16.498 ( 7.011 0.000 3.074) 7.655 16.774 ( -4.682 0.000 -3.889) 6.086 16.774 ( -4.682 0.000 3.889) 6.086 16.923 ( 2.838 0.000 -1.765) 3.342 16.923 ( 2.838 0.000 1.765) 3.342 17.085 ( -5.084 0.000 -0.282) 5.091 17.085 ( -5.084 0.000 0.282) 5.091 17.394 ( 9.448 0.000 -3.120) 9.949 17.394 ( 9.448 0.000 3.120) 9.949 17.923 ( -12.888 0.000 -2.801) 13.189 17.923 ( -12.888 0.000 2.801) 13.189 18.930 ( 2.802 0.000 -2.549) 3.788 18.930 ( 2.802 0.000 2.549) 3.788 19.055 ( -1.760 0.000 -1.945) 2.623 19.055 ( -1.760 0.000 1.945) 2.623 ======================= Grid point 94 (33/45) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -6.586 0.000 -1.813) 6.831 1.318 ( -6.586 0.000 1.813) 6.831 1.318 ( 6.586 0.000 -1.813) 6.831 1.318 ( 6.586 0.000 1.813) 6.831 1.445 ( -11.708 0.000 -1.419) 11.793 1.445 ( -11.708 0.000 1.419) 11.793 1.445 ( 11.708 0.000 -1.419) 11.793 1.445 ( 11.708 0.000 1.419) 11.793 1.806 ( -9.494 0.000 -4.555) 10.530 1.806 ( 9.494 0.000 -4.555) 10.530 1.806 ( -9.494 0.000 4.555) 10.530 1.806 ( 9.494 0.000 4.555) 10.530 2.077 ( -5.076 0.000 -1.701) 5.353 2.077 ( 5.076 0.000 -1.701) 5.353 2.077 ( -5.076 0.000 1.701) 5.353 2.077 ( 5.076 0.000 1.701) 5.353 2.557 ( -7.616 0.000 -12.211) 14.391 2.557 ( 7.616 0.000 -12.211) 14.391 2.557 ( -7.616 0.000 12.211) 14.391 2.557 ( 7.616 0.000 12.211) 14.391 2.654 ( -9.578 0.000 -0.776) 9.610 2.654 ( -9.578 0.000 0.776) 9.610 2.654 ( 9.578 0.000 -0.776) 9.610 2.654 ( 9.578 0.000 0.776) 9.610 2.791 ( -4.803 0.000 -4.362) 6.488 2.791 ( 4.803 0.000 -4.362) 6.488 2.791 ( -4.803 0.000 4.362) 6.488 2.791 ( 4.803 0.000 4.362) 6.488 2.957 ( -6.166 0.000 -7.007) 9.333 2.957 ( 6.166 0.000 -7.007) 9.333 2.957 ( -6.166 0.000 7.007) 9.333 2.957 ( 6.166 0.000 7.007) 9.333 3.097 ( -2.920 0.000 -6.287) 6.932 3.097 ( 2.920 0.000 -6.287) 6.932 3.097 ( -2.920 0.000 6.287) 6.932 3.097 ( 2.920 0.000 6.287) 6.932 3.227 ( -6.141 0.000 -3.339) 6.991 3.227 ( 6.141 0.000 -3.339) 6.991 3.227 ( -6.141 0.000 3.339) 6.991 3.227 ( 6.141 0.000 3.339) 6.991 3.700 ( -9.922 0.000 -6.555) 11.891 3.700 ( 9.922 0.000 -6.555) 11.891 3.700 ( -9.922 0.000 6.555) 11.891 3.700 ( 9.922 0.000 6.555) 11.891 3.842 ( -1.962 0.000 -8.318) 8.546 3.842 ( 1.962 0.000 -8.318) 8.546 3.842 ( -1.962 0.000 8.318) 8.546 3.842 ( 1.962 0.000 8.318) 8.546 4.020 ( -7.764 0.000 -1.487) 7.905 4.020 ( -7.764 0.000 1.487) 7.905 4.020 ( 7.764 0.000 -1.487) 7.905 4.020 ( 7.764 0.000 1.487) 7.905 4.104 ( -7.071 0.000 -1.705) 7.274 4.104 ( -7.071 0.000 1.705) 7.274 4.104 ( 7.071 0.000 -1.705) 7.274 4.104 ( 7.071 0.000 1.705) 7.274 4.354 ( -3.959 0.000 -1.073) 4.102 4.354 ( -3.959 0.000 1.073) 4.102 4.354 ( 3.959 0.000 -1.073) 4.102 4.354 ( 3.959 0.000 1.073) 4.102 4.602 ( -0.654 0.000 -4.029) 4.082 4.602 ( 0.654 0.000 -4.029) 4.082 4.602 ( -0.654 0.000 4.029) 4.082 4.602 ( 0.654 0.000 4.029) 4.082 4.675 ( -8.411 0.000 -0.505) 8.427 4.675 ( -8.411 0.000 0.505) 8.427 4.675 ( 8.411 0.000 -0.505) 8.427 4.675 ( 8.411 0.000 0.505) 8.427 4.718 ( -3.283 0.000 -3.944) 5.132 4.718 ( 3.283 0.000 -3.944) 5.132 4.718 ( -3.283 0.000 3.944) 5.132 4.718 ( 3.283 0.000 3.944) 5.132 5.045 ( -5.952 0.000 -0.205) 5.955 5.045 ( -5.952 0.000 0.205) 5.955 5.045 ( 5.952 0.000 -0.205) 5.955 5.045 ( 5.952 0.000 0.205) 5.955 5.349 ( -5.974 0.000 -3.795) 7.077 5.349 ( 5.974 0.000 -3.795) 7.077 5.349 ( -5.974 0.000 3.795) 7.077 5.349 ( 5.974 0.000 3.795) 7.077 5.481 ( -3.392 0.000 -8.252) 8.922 5.481 ( 3.392 0.000 -8.252) 8.922 5.481 ( -3.392 0.000 8.252) 8.922 5.481 ( 3.392 0.000 8.252) 8.922 5.758 ( -2.370 0.000 -0.851) 2.518 5.758 ( 2.370 0.000 -0.851) 2.518 5.758 ( -2.370 0.000 0.851) 2.518 5.758 ( 2.370 0.000 0.851) 2.518 5.931 ( -3.422 0.000 -3.265) 4.730 5.931 ( 3.422 0.000 -3.265) 4.730 5.931 ( -3.422 0.000 3.265) 4.730 5.931 ( 3.422 0.000 3.265) 4.730 6.381 ( -6.157 0.000 -0.289) 6.164 6.381 ( -6.157 0.000 0.289) 6.164 6.381 ( 6.157 0.000 -0.289) 6.164 6.381 ( 6.157 0.000 0.289) 6.164 7.067 ( -4.082 0.000 -2.658) 4.871 7.067 ( 4.082 0.000 -2.658) 4.871 7.067 ( -4.082 0.000 2.658) 4.871 7.067 ( 4.082 0.000 2.658) 4.871 7.288 ( -1.538 0.000 -1.685) 2.282 7.288 ( 1.538 0.000 -1.685) 2.282 7.288 ( -1.538 0.000 1.685) 2.282 7.288 ( 1.538 0.000 1.685) 2.282 8.020 ( -1.449 0.000 -1.065) 1.799 8.020 ( 1.449 0.000 -1.065) 1.799 8.020 ( -1.449 0.000 1.065) 1.799 8.020 ( 1.449 0.000 1.065) 1.799 8.522 ( -6.230 0.000 -1.563) 6.423 8.522 ( -6.230 0.000 1.563) 6.423 8.522 ( 6.230 0.000 -1.563) 6.423 8.522 ( 6.230 0.000 1.563) 6.423 8.845 ( -5.746 0.000 -2.081) 6.112 8.845 ( 5.746 0.000 -2.081) 6.112 8.845 ( -5.746 0.000 2.081) 6.112 8.845 ( 5.746 0.000 2.081) 6.112 9.452 ( -1.503 0.000 -2.775) 3.156 9.452 ( 1.503 0.000 -2.775) 3.156 9.452 ( -1.503 0.000 2.775) 3.156 9.452 ( 1.503 0.000 2.775) 3.156 9.787 ( -1.326 0.000 -2.856) 3.149 9.787 ( 1.326 0.000 -2.856) 3.149 9.787 ( -1.326 0.000 2.856) 3.149 9.787 ( 1.326 0.000 2.856) 3.149 10.020 ( -11.294 0.000 -3.440) 11.807 10.020 ( -11.294 0.000 3.440) 11.807 10.020 ( 11.294 0.000 -3.440) 11.807 10.020 ( 11.294 0.000 3.440) 11.807 10.591 ( -9.083 0.000 -5.898) 10.829 10.591 ( 9.083 0.000 -5.898) 10.829 10.591 ( -9.083 0.000 5.898) 10.829 10.591 ( 9.083 0.000 5.898) 10.829 11.072 ( -8.716 0.000 -1.121) 8.788 11.072 ( -8.716 0.000 1.121) 8.788 11.072 ( 8.716 0.000 -1.121) 8.788 11.072 ( 8.716 0.000 1.121) 8.788 11.535 ( -6.641 0.000 -5.283) 8.486 11.535 ( 6.641 0.000 -5.283) 8.486 11.535 ( -6.641 0.000 5.283) 8.486 11.535 ( 6.641 0.000 5.283) 8.486 11.927 ( -2.575 0.000 -0.514) 2.625 11.927 ( -2.575 0.000 0.514) 2.625 11.927 ( 2.575 0.000 -0.514) 2.625 11.927 ( 2.575 0.000 0.514) 2.625 12.335 ( -4.617 0.000 -4.070) 6.155 12.335 ( 4.617 0.000 -4.070) 6.155 12.335 ( -4.617 0.000 4.070) 6.155 12.335 ( 4.617 0.000 4.070) 6.155 13.218 ( -3.811 0.000 -0.930) 3.923 13.218 ( -3.811 0.000 0.930) 3.923 13.218 ( 3.811 0.000 -0.930) 3.923 13.218 ( 3.811 0.000 0.930) 3.923 16.652 ( -6.563 0.000 -4.515) 7.966 16.652 ( 6.563 0.000 -4.515) 7.966 16.652 ( -6.563 0.000 4.515) 7.966 16.652 ( 6.563 0.000 4.515) 7.966 16.992 ( -3.621 0.000 -0.718) 3.691 16.992 ( -3.621 0.000 0.718) 3.691 16.992 ( 3.621 0.000 -0.718) 3.691 16.992 ( 3.621 0.000 0.718) 3.691 17.633 ( -12.589 0.000 -4.266) 13.293 17.633 ( 12.589 0.000 -4.266) 13.293 17.633 ( -12.589 0.000 4.266) 13.293 17.633 ( 12.589 0.000 4.266) 13.293 18.999 ( -3.170 0.000 -2.193) 3.855 18.999 ( 3.170 0.000 -2.193) 3.855 18.999 ( -3.170 0.000 2.193) 3.855 18.999 ( 3.170 0.000 2.193) 3.855 ======================= Grid point 100 (34/45) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 15.525 -21.305) 26.362 1.172 ( 0.000 15.525 21.305) 26.362 1.188 ( 0.000 9.432 -24.613) 26.358 1.188 ( 0.000 9.432 24.613) 26.358 1.608 ( 0.000 12.952 -3.489) 13.414 1.608 ( 0.000 12.952 3.489) 13.414 1.849 ( 0.000 14.223 -14.353) 20.207 1.849 ( 0.000 14.223 14.353) 20.207 1.910 ( 0.000 2.030 -10.057) 10.260 1.910 ( 0.000 2.030 10.057) 10.260 2.002 ( 0.000 14.719 -7.588) 16.560 2.002 ( 0.000 14.719 7.588) 16.560 2.303 ( 0.000 8.733 -11.557) 14.485 2.303 ( 0.000 8.733 11.557) 14.485 2.365 ( 0.000 0.908 -6.792) 6.852 2.365 ( 0.000 0.908 6.792) 6.852 2.390 ( 0.000 -0.151 -6.307) 6.309 2.390 ( 0.000 -0.151 6.307) 6.309 2.523 ( 0.000 -0.865 -5.087) 5.160 2.523 ( 0.000 -0.865 5.087) 5.160 2.544 ( 0.000 3.176 -2.661) 4.143 2.544 ( 0.000 3.176 2.661) 4.143 2.667 ( 0.000 4.545 -1.373) 4.748 2.667 ( 0.000 4.545 1.373) 4.748 2.747 ( 0.000 6.617 -3.672) 7.567 2.747 ( 0.000 6.617 3.672) 7.567 2.768 ( 0.000 -0.074 -5.021) 5.021 2.768 ( 0.000 -0.074 5.021) 5.021 3.002 ( 0.000 0.169 -9.892) 9.894 3.002 ( 0.000 0.169 9.892) 9.894 3.002 ( 0.000 1.778 -2.353) 2.949 3.002 ( 0.000 1.778 2.353) 2.949 3.136 ( 0.000 0.428 -5.481) 5.498 3.136 ( 0.000 0.428 5.481) 5.498 3.254 ( 0.000 0.783 -7.829) 7.868 3.254 ( 0.000 0.783 7.829) 7.868 3.303 ( 0.000 5.999 -5.254) 7.974 3.303 ( 0.000 5.999 5.254) 7.974 3.372 ( 0.000 -2.491 -3.511) 4.305 3.372 ( 0.000 -2.491 3.511) 4.305 3.448 ( 0.000 -0.735 -11.217) 11.241 3.448 ( 0.000 -0.735 11.217) 11.241 3.650 ( 0.000 4.747 -2.042) 5.167 3.650 ( 0.000 4.747 2.042) 5.167 3.680 ( 0.000 -1.904 -6.043) 6.336 3.680 ( 0.000 -1.904 6.043) 6.336 3.732 ( 0.000 0.773 -7.193) 7.235 3.732 ( 0.000 0.773 7.193) 7.235 3.842 ( 0.000 0.822 -2.498) 2.630 3.842 ( 0.000 0.822 2.498) 2.630 4.026 ( 0.000 1.477 -4.477) 4.715 4.026 ( 0.000 1.477 4.477) 4.715 4.101 ( 0.000 -5.673 -3.565) 6.700 4.101 ( 0.000 -5.673 3.565) 6.700 4.316 ( 0.000 -1.415 -3.059) 3.371 4.316 ( 0.000 0.432 -2.717) 2.751 4.316 ( 0.000 -1.403 2.490) 2.858 4.316 ( 0.000 0.812 3.286) 3.385 4.401 ( 0.000 2.814 -3.757) 4.694 4.401 ( 0.000 2.814 3.757) 4.694 4.491 ( 0.000 -2.303 -2.538) 3.427 4.491 ( 0.000 -2.303 2.538) 3.427 4.549 ( 0.000 -4.650 -5.441) 7.157 4.549 ( 0.000 -4.650 5.441) 7.157 4.675 ( 0.000 1.666 -6.638) 6.844 4.675 ( 0.000 1.666 6.638) 6.844 4.686 ( 0.000 -2.786 -4.028) 4.898 4.686 ( 0.000 -2.786 4.028) 4.898 4.953 ( 0.000 1.898 -6.950) 7.204 4.953 ( 0.000 1.898 6.950) 7.204 4.969 ( 0.000 3.733 -4.184) 5.607 4.969 ( 0.000 3.733 4.184) 5.607 5.012 ( 0.000 2.276 -4.911) 5.412 5.012 ( 0.000 2.276 4.911) 5.412 5.171 ( 0.000 -0.067 -9.270) 9.270 5.171 ( 0.000 -0.067 9.270) 9.270 5.245 ( 0.000 -2.722 -1.452) 3.085 5.245 ( 0.000 -2.722 1.452) 3.085 5.358 ( 0.000 -0.361 -7.164) 7.173 5.358 ( 0.000 -0.361 7.164) 7.173 5.372 ( 0.000 -7.879 -2.113) 8.158 5.372 ( 0.000 -7.879 2.113) 8.158 5.460 ( 0.000 3.030 -5.174) 5.996 5.460 ( 0.000 3.030 5.174) 5.996 5.569 ( 0.000 -4.915 -2.870) 5.691 5.569 ( 0.000 -4.915 2.870) 5.691 5.666 ( 0.000 -0.711 -3.779) 3.845 5.666 ( 0.000 -0.711 3.779) 3.845 5.916 ( 0.000 2.689 -2.007) 3.355 5.916 ( 0.000 2.689 2.007) 3.355 5.963 ( 0.000 1.284 -4.274) 4.463 5.963 ( 0.000 1.284 4.274) 4.463 6.317 ( 0.000 0.658 -2.133) 2.232 6.317 ( 0.000 0.658 2.133) 2.232 6.580 ( 0.000 -7.052 -2.887) 7.620 6.580 ( 0.000 -7.052 2.887) 7.620 7.035 ( 0.000 -0.424 -2.880) 2.911 7.035 ( 0.000 -0.424 2.880) 2.911 7.215 ( 0.000 1.975 -2.574) 3.245 7.215 ( 0.000 1.975 2.574) 3.245 7.217 ( 0.000 -1.888 -2.500) 3.133 7.217 ( 0.000 -1.888 2.500) 3.133 7.294 ( 0.000 -0.205 -2.708) 2.715 7.294 ( 0.000 -0.205 2.708) 2.715 7.941 ( 0.000 1.883 -3.857) 4.292 7.941 ( 0.000 1.883 3.857) 4.292 8.098 ( 0.000 4.252 -3.005) 5.207 8.098 ( 0.000 4.252 3.005) 5.207 8.131 ( 0.000 4.546 -2.554) 5.214 8.131 ( 0.000 4.546 2.554) 5.214 8.672 ( 0.000 -2.841 -2.116) 3.542 8.672 ( 0.000 -2.841 2.116) 3.542 8.674 ( 0.000 6.435 -2.889) 7.054 8.674 ( 0.000 6.435 2.889) 7.054 9.075 ( 0.000 3.747 -8.913) 9.669 9.075 ( 0.000 3.747 8.913) 9.669 9.318 ( 0.000 0.858 -4.757) 4.833 9.318 ( 0.000 0.858 4.757) 4.833 9.471 ( 0.000 -3.366 -3.024) 4.525 9.471 ( 0.000 -3.366 3.024) 4.525 9.673 ( 0.000 -1.153 -5.409) 5.530 9.673 ( 0.000 -1.153 5.409) 5.530 9.739 ( 0.000 0.372 -1.673) 1.713 9.739 ( 0.000 0.372 1.673) 1.713 10.009 ( 0.000 -1.406 -14.563) 14.631 10.009 ( 0.000 -1.406 14.563) 14.631 10.208 ( 0.000 -3.749 -9.480) 10.194 10.208 ( 0.000 -3.749 9.480) 10.194 10.444 ( 0.000 -6.366 -2.848) 6.974 10.444 ( 0.000 -6.366 2.848) 6.974 10.725 ( 0.000 -14.142 -3.427) 14.551 10.725 ( 0.000 -14.142 3.427) 14.551 10.760 ( 0.000 -5.853 -1.650) 6.081 10.760 ( 0.000 -5.853 1.650) 6.081 11.159 ( 0.000 -2.617 -4.488) 5.196 11.159 ( 0.000 -2.617 4.488) 5.196 11.303 ( 0.000 -11.966 -14.094) 18.488 11.303 ( 0.000 -11.966 14.094) 18.488 11.767 ( 0.000 -0.995 -16.402) 16.432 11.767 ( 0.000 -0.995 16.402) 16.432 11.812 ( 0.000 3.033 -2.872) 4.177 11.812 ( 0.000 3.033 2.872) 4.177 12.289 ( 0.000 4.704 -12.175) 13.052 12.289 ( 0.000 4.704 12.175) 13.052 12.301 ( 0.000 10.242 -8.921) 13.582 12.301 ( 0.000 10.242 8.921) 13.582 12.645 ( 0.000 9.067 -3.725) 9.802 12.645 ( 0.000 9.067 3.725) 9.802 12.876 ( 0.000 6.793 -4.663) 8.240 12.876 ( 0.000 6.793 4.663) 8.240 13.207 ( 0.000 -4.475 -0.441) 4.497 13.207 ( 0.000 -4.475 0.441) 4.497 16.422 ( 0.000 1.709 -1.202) 2.089 16.422 ( 0.000 1.709 1.202) 2.089 16.856 ( 0.000 -0.824 -2.309) 2.451 16.856 ( 0.000 -0.824 2.309) 2.451 16.892 ( 0.000 3.668 -3.164) 4.844 16.892 ( 0.000 3.668 3.164) 4.844 17.160 ( 0.000 -3.962 -4.088) 5.693 17.160 ( 0.000 -3.962 4.088) 5.693 17.211 ( 0.000 -1.717 -4.761) 5.061 17.211 ( 0.000 -1.717 4.761) 5.061 17.995 ( 0.000 -8.898 -1.251) 8.986 17.995 ( 0.000 -8.898 1.251) 8.986 18.903 ( 0.000 0.618 -2.966) 3.029 18.903 ( 0.000 0.618 2.966) 3.029 19.061 ( 0.000 -1.236 -2.031) 2.377 19.061 ( 0.000 -1.236 2.031) 2.377 ======================= Grid point 102 (35/45) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 7.118 9.987 -15.824) 20.020 1.177 ( 7.118 9.987 15.824) 20.020 1.346 ( 9.459 16.355 -15.133) 24.207 1.346 ( 9.459 16.355 15.133) 24.207 1.594 ( -1.757 13.002 -3.838) 13.670 1.594 ( -1.757 13.002 3.838) 13.670 1.769 ( -8.168 3.916 -6.022) 10.877 1.769 ( -8.168 3.916 6.022) 10.877 1.878 ( -1.242 14.912 -3.039) 15.269 1.878 ( -1.242 14.912 3.039) 15.269 2.087 ( -5.276 6.961 -1.474) 8.858 2.087 ( -5.276 6.961 1.474) 8.858 2.200 ( -5.056 3.455 -5.478) 8.216 2.200 ( -5.056 3.455 5.478) 8.216 2.278 ( -6.078 4.510 -5.656) 9.448 2.278 ( -6.078 4.510 5.656) 9.448 2.325 ( 1.464 4.660 -10.046) 11.170 2.325 ( 1.464 4.660 10.046) 11.170 2.502 ( 4.631 1.791 -2.470) 5.545 2.502 ( 4.631 1.791 2.470) 5.545 2.585 ( 5.723 2.374 -6.540) 9.009 2.585 ( 5.723 2.374 6.540) 9.009 2.701 ( 0.349 4.310 -1.344) 4.528 2.701 ( 0.349 4.310 1.344) 4.528 2.786 ( 2.348 -1.218 -5.562) 6.159 2.786 ( 2.348 -1.218 5.562) 6.159 2.848 ( -3.299 0.800 -5.843) 6.757 2.848 ( -3.299 0.800 5.843) 6.757 2.926 ( 3.334 3.434 -2.482) 5.392 2.926 ( 3.334 3.434 2.482) 5.392 3.093 ( -0.875 3.963 -1.281) 4.256 3.093 ( -0.875 3.963 1.281) 4.256 3.134 ( 0.015 1.451 -1.245) 1.912 3.134 ( 0.015 1.451 1.245) 1.912 3.181 ( -2.241 0.906 -1.211) 2.703 3.181 ( -2.241 0.906 1.211) 2.703 3.251 ( -4.137 3.463 -2.116) 5.795 3.251 ( -4.137 3.463 2.116) 5.795 3.386 ( -5.369 -0.242 -11.143) 12.371 3.386 ( -5.369 -0.242 11.143) 12.371 3.453 ( 8.170 2.084 -7.073) 11.005 3.453 ( 8.170 2.084 7.073) 11.005 3.716 ( 5.893 -2.704 -3.895) 7.563 3.716 ( 5.893 -2.704 3.895) 7.563 3.737 ( 1.784 -0.004 -1.034) 2.062 3.737 ( 1.784 -0.004 1.034) 2.062 3.802 ( 3.096 0.034 -3.741) 4.856 3.802 ( 3.096 0.034 3.741) 4.856 3.895 ( 5.080 -1.392 -2.270) 5.736 3.895 ( 5.080 -1.392 2.270) 5.736 3.982 ( 0.195 0.634 -2.151) 2.251 3.982 ( 0.195 0.634 2.151) 2.251 4.149 ( 1.153 -0.905 -3.348) 3.655 4.149 ( 1.153 -0.905 3.348) 3.655 4.186 ( -6.215 -2.536 -0.820) 6.763 4.186 ( -6.215 -2.536 0.820) 6.763 4.357 ( -2.706 -0.142 -2.581) 3.742 4.357 ( -2.706 -0.142 2.581) 3.742 4.419 ( 0.438 -0.520 -0.760) 1.020 4.419 ( 0.438 -0.520 0.760) 1.020 4.503 ( -0.083 -4.461 -1.313) 4.651 4.503 ( -0.083 -4.461 1.313) 4.651 4.558 ( -1.358 1.517 -1.311) 2.422 4.558 ( -1.358 1.517 1.311) 2.422 4.599 ( 2.257 -1.834 -3.744) 4.741 4.599 ( 2.257 -1.834 3.744) 4.741 4.754 ( -2.558 0.693 -3.634) 4.497 4.754 ( -2.558 0.693 3.634) 4.497 4.796 ( -2.497 0.587 -3.087) 4.014 4.796 ( -2.497 0.587 3.087) 4.014 4.943 ( 0.036 3.145 -0.928) 3.280 4.943 ( 0.036 3.145 0.928) 3.280 4.986 ( -7.352 3.019 -2.409) 8.305 4.986 ( -7.352 3.019 2.409) 8.305 5.146 ( -2.054 -2.145 -2.717) 4.025 5.146 ( -2.054 -2.145 2.717) 4.025 5.214 ( -0.165 -0.919 -4.389) 4.487 5.214 ( -0.165 -0.919 4.389) 4.487 5.372 ( -0.271 -2.837 -2.461) 3.765 5.372 ( -0.271 -2.837 2.461) 3.765 5.424 ( 3.441 -0.611 -4.415) 5.631 5.424 ( 3.441 -0.611 4.415) 5.631 5.499 ( 2.042 -0.962 -4.157) 4.731 5.499 ( 2.042 -0.962 4.157) 4.731 5.635 ( 4.737 -5.269 -1.621) 7.268 5.635 ( 4.737 -5.269 1.621) 7.268 5.744 ( 4.093 -0.784 -2.027) 4.634 5.744 ( 4.093 -0.784 2.027) 4.634 5.847 ( -1.477 -0.432 -2.571) 2.996 5.847 ( -1.477 -0.432 2.571) 2.996 5.994 ( -0.443 2.186 -2.350) 3.240 5.994 ( -0.443 2.186 2.350) 3.240 6.319 ( 0.928 0.910 -2.194) 2.550 6.319 ( 0.928 0.910 2.194) 2.550 6.506 ( -5.881 -4.251 -3.138) 7.906 6.506 ( -5.881 -4.251 3.138) 7.906 7.020 ( 0.524 1.390 -2.019) 2.507 7.020 ( 0.524 1.390 2.019) 2.507 7.141 ( -2.995 -0.533 -2.039) 3.662 7.141 ( -2.995 -0.533 2.039) 3.662 7.261 ( 1.186 0.355 -2.244) 2.563 7.261 ( 1.186 0.355 2.244) 2.563 7.307 ( 0.046 -0.481 -2.296) 2.346 7.307 ( 0.046 -0.481 2.296) 2.346 8.017 ( 3.028 3.008 -1.980) 4.705 8.017 ( 3.028 3.008 1.980) 4.705 8.080 ( -0.745 3.827 -2.823) 4.814 8.080 ( -0.745 3.827 2.823) 4.814 8.293 ( 12.573 0.912 -3.221) 13.011 8.293 ( 12.573 0.912 3.221) 13.011 8.633 ( -2.617 2.709 -1.253) 3.970 8.633 ( -2.617 2.709 1.253) 3.970 8.739 ( 4.303 0.407 -1.140) 4.470 8.739 ( 4.303 0.407 1.140) 4.470 8.995 ( -5.738 2.951 -6.977) 9.503 8.995 ( -5.738 2.951 6.977) 9.503 9.429 ( 1.506 -2.977 -1.181) 3.540 9.429 ( 1.506 -2.977 1.181) 3.540 9.480 ( 4.356 -2.622 -4.862) 7.035 9.480 ( 4.356 -2.622 4.862) 7.035 9.565 ( -1.989 -0.152 -2.116) 2.908 9.565 ( -1.989 -0.152 2.116) 2.908 9.793 ( 2.383 2.052 -0.745) 3.232 9.793 ( 2.383 2.052 0.745) 3.232 9.959 ( -5.209 -7.395 -5.612) 10.644 9.959 ( -5.209 -7.395 5.612) 10.644 10.210 ( -0.501 2.774 -12.876) 13.181 10.210 ( -0.501 2.774 12.876) 13.181 10.451 ( -0.581 -7.690 -3.569) 8.497 10.451 ( -0.581 -7.690 3.569) 8.497 10.679 ( -0.268 -6.705 -1.280) 6.831 10.679 ( -0.268 -6.705 1.280) 6.831 10.802 ( 0.394 -11.047 -2.775) 11.397 10.802 ( 0.394 -11.047 2.775) 11.397 11.082 ( -2.384 -5.228 -3.141) 6.548 11.082 ( -2.384 -5.228 3.141) 6.548 11.392 ( 4.322 -5.450 -8.217) 10.766 11.392 ( 4.322 -5.450 8.217) 10.766 11.612 ( -6.797 -2.464 -6.021) 9.409 11.612 ( -6.797 -2.464 6.021) 9.409 11.934 ( 5.115 4.604 -5.527) 8.827 11.934 ( 5.115 4.604 5.527) 8.827 12.195 ( -7.546 9.569 -5.798) 13.495 12.195 ( -7.546 9.569 5.798) 13.495 12.322 ( 2.719 6.832 -9.636) 12.121 12.322 ( 2.719 6.832 9.636) 12.121 12.521 ( -6.109 8.880 -4.630) 11.731 12.521 ( -6.109 8.880 4.630) 11.731 13.051 ( 8.853 -0.033 -3.162) 9.400 13.051 ( 8.853 -0.033 3.162) 9.400 13.211 ( -0.046 -4.036 -0.487) 4.066 13.211 ( -0.046 -4.036 0.487) 4.066 16.506 ( 6.620 0.956 -2.427) 7.115 16.506 ( 6.620 0.956 2.427) 7.115 16.786 ( -4.838 0.725 -3.464) 5.995 16.786 ( -4.838 0.725 3.464) 5.995 16.933 ( 2.312 1.268 -1.646) 3.109 16.933 ( 2.312 1.268 1.646) 3.109 17.069 ( -4.253 -1.455 -1.486) 4.734 17.069 ( -4.253 -1.455 1.486) 4.734 17.356 ( 9.126 -3.514 -2.474) 10.087 17.356 ( 9.126 -3.514 2.474) 10.087 17.853 ( -11.240 -6.686 -2.343) 13.287 17.853 ( -11.240 -6.686 2.343) 13.287 18.933 ( 2.519 0.279 -2.628) 3.651 18.933 ( 2.519 0.279 2.628) 3.651 19.045 ( -1.525 -0.970 -2.047) 2.730 19.045 ( -1.525 -0.970 2.047) 2.730 ======================= Grid point 104 (36/45) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -12.571 8.804 -7.175) 16.941 1.451 ( 12.211 8.804 -7.106) 16.647 1.451 ( -12.211 8.804 7.106) 16.647 1.451 ( 12.571 8.804 7.175) 16.941 1.557 ( -4.754 13.848 -6.743) 16.120 1.557 ( 4.751 13.848 -6.743) 16.118 1.557 ( -4.751 13.848 6.743) 16.118 1.557 ( 4.754 13.848 6.743) 16.120 1.900 ( -5.448 8.958 -4.522) 11.418 1.900 ( 5.087 8.958 -4.475) 11.232 1.900 ( -5.087 8.958 4.475) 11.232 1.900 ( 5.448 8.958 4.522) 11.418 2.124 ( -3.438 4.350 -3.580) 6.600 2.124 ( 3.429 4.350 -3.579) 6.595 2.124 ( -3.429 4.350 3.579) 6.595 2.124 ( 3.438 4.350 3.580) 6.600 2.586 ( -5.000 2.385 -10.209) 11.615 2.586 ( 4.845 2.385 -10.201) 11.542 2.586 ( -4.845 2.385 10.201) 11.542 2.586 ( 5.000 2.385 10.209) 11.615 2.657 ( -5.149 1.236 -1.267) 5.445 2.657 ( -4.935 1.236 1.169) 5.220 2.657 ( 4.935 1.236 -1.169) 5.220 2.657 ( 5.149 1.236 1.267) 5.445 2.794 ( -2.979 1.354 -4.796) 5.806 2.794 ( 2.974 1.354 -4.796) 5.803 2.794 ( -2.974 1.354 4.796) 5.803 2.794 ( 2.979 1.354 4.796) 5.806 2.982 ( -6.320 2.158 -6.923) 9.619 2.982 ( 6.293 2.158 -6.920) 9.600 2.982 ( -6.293 2.158 6.920) 9.600 2.982 ( 6.320 2.158 6.923) 9.619 3.163 ( -3.014 5.124 -5.758) 8.276 3.163 ( 2.852 5.124 -5.749) 8.212 3.163 ( -2.852 5.124 5.749) 8.212 3.163 ( 3.014 5.124 5.758) 8.276 3.245 ( -4.642 3.010 -3.902) 6.770 3.245 ( 3.567 3.010 -3.774) 6.002 3.245 ( -3.567 3.010 3.774) 6.002 3.245 ( 4.642 3.010 3.902) 6.770 3.670 ( -8.038 -3.018 -5.954) 10.449 3.670 ( 7.756 -3.018 -5.912) 10.208 3.670 ( -7.756 -3.018 5.912) 10.208 3.670 ( 8.038 -3.018 5.954) 10.449 3.832 ( -1.791 -0.982 -4.320) 4.778 3.832 ( 1.706 -0.982 -4.316) 4.744 3.832 ( -1.706 -0.982 4.316) 4.744 3.832 ( 1.791 -0.982 4.320) 4.778 3.991 ( -5.165 -3.245 -2.252) 6.502 3.991 ( -1.635 -3.245 -1.550) 3.950 3.991 ( 1.635 -3.245 1.550) 3.950 3.991 ( 5.165 -3.245 2.252) 6.502 4.105 ( -4.808 1.642 -3.231) 6.021 4.105 ( 1.523 1.642 -2.851) 3.625 4.105 ( -1.523 1.642 2.851) 3.625 4.105 ( 4.808 1.642 3.231) 6.021 4.353 ( -3.497 -1.106 -4.389) 5.720 4.353 ( 2.676 -1.106 -4.325) 5.205 4.353 ( -2.676 -1.106 4.325) 5.205 4.353 ( 3.497 -1.106 4.389) 5.720 4.532 ( -1.332 -3.821 -2.562) 4.790 4.532 ( 1.202 -3.821 -2.555) 4.751 4.532 ( -1.202 -3.821 2.555) 4.751 4.532 ( 1.332 -3.821 2.562) 4.790 4.682 ( -2.720 -0.515 -3.174) 4.212 4.682 ( 2.254 -0.515 -3.133) 3.894 4.682 ( -2.254 -0.515 3.133) 3.894 4.682 ( 2.720 -0.515 3.174) 4.212 4.810 ( -4.745 6.811 -2.856) 8.779 4.810 ( -1.333 6.811 -2.420) 7.350 4.810 ( 1.333 6.811 2.420) 7.350 4.810 ( 4.745 6.811 2.856) 8.779 5.038 ( -5.397 -0.714 -2.815) 6.129 5.038 ( 3.402 -0.714 -2.444) 4.250 5.038 ( -3.402 -0.714 2.444) 4.250 5.038 ( 5.397 -0.714 2.815) 6.129 5.301 ( -5.527 -3.586 -2.621) 7.090 5.301 ( 1.179 -3.586 -1.905) 4.228 5.301 ( -1.179 -3.586 1.905) 4.228 5.301 ( 5.527 -3.586 2.621) 7.090 5.488 ( -2.209 -1.036 -4.419) 5.048 5.488 ( 2.186 -1.036 -4.418) 5.037 5.488 ( -2.186 -1.036 4.418) 5.037 5.488 ( 2.209 -1.036 4.419) 5.048 5.736 ( -2.650 -1.958 -2.324) 4.032 5.736 ( 0.276 -1.958 -2.152) 2.922 5.736 ( -0.276 -1.958 2.152) 2.922 5.736 ( 2.650 -1.958 2.324) 4.032 5.924 ( -5.095 -0.547 -2.911) 5.893 5.924 ( 3.364 -0.547 -2.616) 4.297 5.924 ( -3.364 -0.547 2.616) 4.297 5.924 ( 5.095 -0.547 2.911) 5.893 6.380 ( -4.709 -0.063 -2.204) 5.200 6.380 ( 4.184 -0.063 -2.083) 4.675 6.380 ( -4.184 -0.063 2.083) 4.675 6.380 ( 4.709 -0.063 2.204) 5.200 7.070 ( -3.339 0.288 -2.567) 4.222 7.070 ( 3.339 0.288 -2.567) 4.222 7.070 ( -3.339 0.288 2.567) 4.222 7.070 ( 3.339 0.288 2.567) 4.222 7.290 ( -1.318 0.037 -2.198) 2.563 7.290 ( 1.294 0.037 -2.196) 2.549 7.290 ( -1.294 0.037 2.196) 2.549 7.290 ( 1.318 0.037 2.198) 2.563 8.059 ( -1.231 3.919 -1.704) 4.447 8.059 ( 1.086 3.919 -1.693) 4.405 8.059 ( -1.086 3.919 1.693) 4.405 8.059 ( 1.231 3.919 1.704) 4.447 8.530 ( -7.570 0.538 -1.211) 7.686 8.530 ( -7.089 0.538 0.826) 7.158 8.530 ( 7.089 0.538 -0.826) 7.158 8.530 ( 7.570 0.538 1.211) 7.686 8.855 ( -6.412 1.278 -3.126) 7.247 8.855 ( 6.406 1.278 -3.125) 7.241 8.855 ( -6.406 1.278 3.125) 7.241 8.855 ( 6.412 1.278 3.126) 7.247 9.441 ( -1.647 -1.112 -2.081) 2.877 9.441 ( 0.493 -1.112 -2.014) 2.353 9.441 ( -0.493 -1.112 2.014) 2.353 9.441 ( 1.647 -1.112 2.081) 2.877 9.723 ( -6.970 -5.314 -7.247) 11.373 9.723 ( 4.672 -5.314 -7.039) 9.980 9.723 ( -4.672 -5.314 7.039) 9.980 9.723 ( 6.970 -5.314 7.247) 11.373 10.039 ( -10.457 0.501 -6.358) 12.248 10.039 ( 3.934 0.501 -5.476) 6.762 10.039 ( -3.934 0.501 5.476) 6.762 10.039 ( 10.457 0.501 6.358) 12.248 10.549 ( -7.554 -4.775 -6.991) 11.346 10.549 ( 6.804 -4.775 -6.905) 10.806 10.549 ( -6.804 -4.775 6.905) 10.806 10.549 ( 7.554 -4.775 6.991) 11.346 10.956 ( -9.015 -7.945 -4.791) 12.936 10.956 ( 4.838 -7.945 -4.066) 10.152 10.956 ( -4.838 -7.945 4.066) 10.152 10.956 ( 9.015 -7.945 4.791) 12.936 11.495 ( -4.905 -3.600 -4.082) 7.327 11.495 ( 4.183 -3.600 -3.991) 6.811 11.495 ( -4.183 -3.600 3.991) 6.811 11.495 ( 4.905 -3.600 4.082) 7.327 12.043 ( -4.055 8.145 -8.204) 12.251 12.043 ( 2.255 8.145 -8.126) 11.724 12.043 ( -2.255 8.145 8.126) 11.724 12.043 ( 4.055 8.145 8.204) 12.251 12.405 ( -4.217 7.051 -5.884) 10.106 12.405 ( 3.429 7.051 -5.827) 9.769 12.405 ( -3.429 7.051 5.827) 9.769 12.405 ( 4.217 7.051 5.884) 10.106 13.181 ( -2.999 -3.437 -1.497) 4.801 13.181 ( 0.361 -3.437 -1.121) 3.633 13.181 ( -0.361 -3.437 1.121) 3.633 13.181 ( 2.999 -3.437 1.497) 4.801 16.659 ( -6.709 0.546 -3.855) 7.757 16.659 ( 6.647 0.546 -3.843) 7.697 16.659 ( -6.647 0.546 3.843) 7.697 16.659 ( 6.709 0.546 3.855) 7.757 16.990 ( -2.928 0.038 -1.032) 3.105 16.990 ( -0.548 0.038 -0.383) 0.670 16.990 ( 0.548 0.038 0.383) 0.670 16.990 ( 2.928 0.038 1.032) 3.105 17.588 ( -9.869 -4.441 -5.328) 12.062 17.588 ( -2.123 -4.441 -4.250) 6.503 17.588 ( 2.123 -4.441 4.250) 6.503 17.588 ( 9.869 -4.441 5.328) 12.062 18.996 ( -2.868 -0.381 -2.193) 3.631 18.996 ( 2.859 -0.381 -2.192) 3.623 18.996 ( -2.859 -0.381 2.192) 3.623 18.996 ( 2.868 -0.381 2.193) 3.631 ======================= Grid point 110 (37/45) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 13.259 -17.354) 21.839 1.415 ( 0.000 13.259 17.354) 21.839 1.489 ( 0.000 16.339 -18.049) 24.347 1.489 ( 0.000 16.339 18.049) 24.347 1.879 ( 0.000 12.300 -6.023) 13.695 1.879 ( 0.000 12.300 6.023) 13.695 1.934 ( 0.000 0.307 -10.100) 10.104 1.934 ( 0.000 0.307 10.100) 10.104 2.102 ( 0.000 9.954 -6.564) 11.924 2.102 ( 0.000 9.954 6.564) 11.924 2.347 ( 0.000 8.234 -3.140) 8.812 2.347 ( 0.000 8.234 3.140) 8.812 2.375 ( 0.000 7.812 -2.280) 8.138 2.375 ( 0.000 7.812 2.280) 8.138 2.403 ( 0.000 2.282 -3.280) 3.996 2.403 ( 0.000 2.282 3.280) 3.996 2.476 ( 0.000 7.393 -7.632) 10.625 2.476 ( 0.000 7.393 7.632) 10.625 2.599 ( 0.000 1.954 -5.490) 5.827 2.599 ( 0.000 1.954 5.490) 5.827 2.614 ( 0.000 13.035 -2.774) 13.327 2.614 ( 0.000 13.035 2.774) 13.327 2.774 ( 0.000 1.335 -3.196) 3.464 2.774 ( 0.000 1.335 3.196) 3.464 2.821 ( 0.000 12.594 -3.955) 13.201 2.821 ( 0.000 12.594 3.955) 13.201 2.894 ( 0.000 10.305 -5.822) 11.836 2.894 ( 0.000 10.305 5.822) 11.836 2.967 ( 0.000 -4.106 -4.065) 5.778 2.967 ( 0.000 -4.106 4.065) 5.778 3.112 ( 0.000 -3.024 -2.224) 3.754 3.112 ( 0.000 -3.024 2.224) 3.754 3.122 ( 0.000 8.718 -2.696) 9.125 3.122 ( 0.000 8.718 2.696) 9.125 3.266 ( 0.000 -2.893 -0.621) 2.959 3.266 ( 0.000 -2.893 0.621) 2.959 3.391 ( 0.000 2.037 -2.459) 3.193 3.391 ( 0.000 2.037 2.459) 3.193 3.392 ( 0.000 7.445 -7.729) 10.731 3.392 ( 0.000 7.445 7.729) 10.731 3.481 ( 0.000 5.864 -3.883) 7.033 3.481 ( 0.000 5.864 3.883) 7.033 3.627 ( 0.000 -3.122 -7.337) 7.974 3.627 ( 0.000 -3.122 7.337) 7.974 3.746 ( 0.000 -0.148 -7.047) 7.048 3.746 ( 0.000 -0.148 7.047) 7.048 3.763 ( 0.000 6.687 -4.273) 7.936 3.763 ( 0.000 6.687 4.273) 7.936 3.862 ( 0.000 0.656 -1.104) 1.284 3.862 ( 0.000 0.656 1.104) 1.284 3.953 ( 0.000 -7.924 -4.301) 9.016 3.953 ( 0.000 -7.924 4.301) 9.016 4.074 ( 0.000 4.776 -5.706) 7.441 4.074 ( 0.000 4.776 5.706) 7.441 4.269 ( 0.000 -3.486 -2.820) 4.484 4.269 ( 0.000 -3.486 2.820) 4.484 4.329 ( 0.000 -2.105 -1.648) 2.674 4.329 ( 0.000 -2.105 1.648) 2.674 4.417 ( 0.000 -4.677 -5.305) 7.073 4.417 ( 0.000 -4.677 5.305) 7.073 4.431 ( 0.000 0.549 -2.874) 2.926 4.431 ( 0.000 0.549 2.874) 2.926 4.482 ( 0.000 0.002 -4.934) 4.934 4.482 ( 0.000 0.002 4.934) 4.934 4.628 ( 0.000 -3.127 -4.220) 5.252 4.628 ( 0.000 -3.127 4.220) 5.252 4.770 ( 0.000 4.918 -8.201) 9.562 4.770 ( 0.000 4.918 8.201) 9.562 4.929 ( 0.000 -1.996 -7.446) 7.709 4.929 ( 0.000 -1.996 7.446) 7.709 4.988 ( 0.000 -0.527 -11.763) 11.775 4.988 ( 0.000 -0.527 11.763) 11.775 5.085 ( 0.000 0.013 -2.897) 2.898 5.085 ( 0.000 0.013 2.897) 2.898 5.143 ( 0.000 -8.042 -2.894) 8.546 5.143 ( 0.000 -8.042 2.894) 8.546 5.166 ( 0.000 -0.690 -4.685) 4.735 5.166 ( 0.000 -0.690 4.685) 4.735 5.233 ( 0.000 -3.025 -0.571) 3.078 5.233 ( 0.000 -3.025 0.571) 3.078 5.370 ( 0.000 1.318 -7.727) 7.838 5.370 ( 0.000 1.318 7.727) 7.838 5.376 ( 0.000 -13.336 -4.885) 14.203 5.376 ( 0.000 -13.336 4.885) 14.203 5.524 ( 0.000 3.246 -5.301) 6.215 5.524 ( 0.000 3.246 5.301) 6.215 5.680 ( 0.000 0.823 -3.636) 3.728 5.680 ( 0.000 0.823 3.636) 3.728 5.969 ( 0.000 2.200 -2.257) 3.152 5.969 ( 0.000 2.200 2.257) 3.152 5.978 ( 0.000 0.047 -5.105) 5.106 5.978 ( 0.000 0.047 5.105) 5.106 6.321 ( 0.000 -0.597 -4.236) 4.278 6.321 ( 0.000 -0.597 4.236) 4.278 6.439 ( 0.000 -6.955 -3.628) 7.845 6.439 ( 0.000 -6.955 3.628) 7.845 7.050 ( 0.000 1.319 -2.752) 3.052 7.050 ( 0.000 1.319 2.752) 3.052 7.169 ( 0.000 -2.947 -1.764) 3.435 7.169 ( 0.000 -2.947 1.764) 3.435 7.227 ( 0.000 0.122 -2.214) 2.217 7.227 ( 0.000 0.122 2.214) 2.217 7.294 ( 0.000 0.350 -2.103) 2.132 7.294 ( 0.000 0.350 2.103) 2.132 7.993 ( 0.000 3.718 -3.485) 5.096 7.993 ( 0.000 3.718 3.485) 5.096 8.204 ( 0.000 5.937 -1.689) 6.173 8.204 ( 0.000 5.937 1.689) 6.173 8.248 ( 0.000 6.984 -3.789) 7.946 8.248 ( 0.000 6.984 3.789) 7.946 8.596 ( 0.000 -4.881 -2.950) 5.703 8.596 ( 0.000 -4.881 2.950) 5.703 8.828 ( 0.000 8.687 -2.490) 9.037 8.828 ( 0.000 8.687 2.490) 9.037 9.126 ( 0.000 0.965 -10.126) 10.171 9.126 ( 0.000 0.965 10.126) 10.171 9.345 ( 0.000 1.949 -3.373) 3.895 9.345 ( 0.000 1.949 3.373) 3.895 9.395 ( 0.000 -3.962 -3.687) 5.412 9.395 ( 0.000 -3.962 3.687) 5.412 9.622 ( 0.000 -3.613 -5.892) 6.912 9.622 ( 0.000 -3.613 5.892) 6.912 9.729 ( 0.000 -1.232 -0.855) 1.500 9.729 ( 0.000 -1.232 0.855) 1.500 9.969 ( 0.000 -3.419 -7.320) 8.079 9.969 ( 0.000 -3.419 7.320) 8.079 10.096 ( 0.000 -7.225 -7.278) 10.256 10.096 ( 0.000 -7.225 7.278) 10.256 10.323 ( 0.000 -5.427 -3.131) 6.266 10.323 ( 0.000 -5.427 3.131) 6.266 10.512 ( 0.000 -7.825 -7.023) 10.514 10.512 ( 0.000 -7.825 7.023) 10.514 10.675 ( 0.000 -0.282 -7.409) 7.414 10.675 ( 0.000 -0.282 7.409) 7.414 11.070 ( 0.000 -11.566 -17.667) 21.116 11.070 ( 0.000 -11.566 17.667) 21.116 11.100 ( 0.000 -3.159 -5.918) 6.708 11.100 ( 0.000 -3.159 5.918) 6.708 11.813 ( 0.000 5.111 -12.940) 13.913 11.813 ( 0.000 5.111 12.940) 13.913 11.829 ( 0.000 -3.212 -3.948) 5.089 11.829 ( 0.000 -3.212 3.948) 5.089 12.243 ( 0.000 -6.284 -9.070) 11.034 12.243 ( 0.000 -6.284 9.070) 11.034 12.473 ( 0.000 7.694 -4.195) 8.763 12.473 ( 0.000 7.694 4.195) 8.763 12.862 ( 0.000 12.045 -5.320) 13.168 12.862 ( 0.000 12.045 5.320) 13.168 12.969 ( 0.000 -2.266 -1.874) 2.941 12.969 ( 0.000 -2.266 1.874) 2.941 13.154 ( 0.000 2.156 -6.748) 7.084 13.154 ( 0.000 2.156 6.748) 7.084 16.470 ( 0.000 3.327 -1.893) 3.828 16.470 ( 0.000 3.327 1.893) 3.828 16.824 ( 0.000 -2.742 -3.014) 4.075 16.824 ( 0.000 -2.742 3.014) 4.075 16.984 ( 0.000 5.400 -0.845) 5.465 16.984 ( 0.000 5.400 0.845) 5.465 17.080 ( 0.000 -3.739 -5.570) 6.709 17.080 ( 0.000 -3.739 5.570) 6.709 17.175 ( 0.000 -1.377 -3.967) 4.200 17.175 ( 0.000 -1.377 3.967) 4.200 17.796 ( 0.000 -11.229 -1.569) 11.338 17.796 ( 0.000 -11.229 1.569) 11.338 18.916 ( 0.000 0.739 -2.977) 3.067 18.916 ( 0.000 0.739 2.977) 3.067 19.029 ( 0.000 -1.998 -2.376) 3.105 19.029 ( 0.000 -1.998 2.376) 3.105 ======================= Grid point 112 (38/45) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 4.658 12.878 -12.321) 18.422 1.404 ( 4.658 12.878 12.321) 18.422 1.660 ( 8.550 13.674 -12.859) 20.626 1.660 ( 8.550 13.674 12.859) 20.626 1.834 ( -4.079 6.720 -6.034) 9.910 1.834 ( -4.079 6.720 6.034) 9.910 1.897 ( -0.451 11.649 -3.622) 12.207 1.897 ( -0.451 11.649 3.622) 12.207 2.117 ( -2.905 5.371 -4.647) 7.673 2.117 ( -2.905 5.371 4.647) 7.673 2.231 ( -7.197 9.009 -1.861) 11.680 2.231 ( -7.197 9.009 1.861) 11.680 2.306 ( -9.027 5.597 -5.027) 11.751 2.306 ( -9.027 5.597 5.027) 11.751 2.382 ( -5.258 5.981 -1.719) 8.147 2.382 ( -5.258 5.981 1.719) 8.147 2.467 ( 7.047 9.637 -5.343) 13.080 2.467 ( 7.047 9.637 5.343) 13.080 2.540 ( 1.876 4.813 -2.052) 5.559 2.540 ( 1.876 4.813 2.052) 5.559 2.701 ( 3.519 5.542 -6.752) 9.417 2.701 ( 3.519 5.542 6.752) 9.417 2.777 ( -1.129 6.198 -5.216) 8.180 2.777 ( -1.129 6.198 5.216) 8.180 2.825 ( 2.196 6.079 -1.415) 6.617 2.825 ( 2.196 6.079 1.415) 6.617 2.911 ( -0.065 4.940 -5.758) 7.587 2.911 ( -0.065 4.940 5.758) 7.587 2.994 ( -0.265 3.071 -5.534) 6.335 2.994 ( -0.265 3.071 5.534) 6.335 3.136 ( 1.801 3.620 -1.255) 4.233 3.136 ( 1.801 3.620 1.255) 4.233 3.184 ( -1.660 2.743 -3.032) 4.412 3.184 ( -1.660 2.743 3.032) 4.412 3.237 ( 3.604 2.024 -1.776) 4.499 3.237 ( 3.604 2.024 1.776) 4.499 3.339 ( 0.712 4.341 -6.401) 7.766 3.339 ( 0.712 4.341 6.401) 7.766 3.386 ( -5.076 4.029 -8.348) 10.568 3.386 ( -5.076 4.029 8.348) 10.568 3.525 ( 4.071 3.994 -2.623) 6.278 3.525 ( 4.071 3.994 2.623) 6.278 3.652 ( 3.856 -2.185 -4.039) 5.997 3.652 ( 3.856 -2.185 4.039) 5.997 3.744 ( -3.025 -0.971 -1.760) 3.632 3.744 ( -3.025 -0.971 1.760) 3.632 3.816 ( 2.793 1.616 -2.326) 3.978 3.816 ( 2.793 1.616 2.326) 3.978 3.847 ( 2.767 -1.636 -2.351) 3.983 3.847 ( 2.767 -1.636 2.351) 3.983 4.036 ( 4.537 0.101 -4.991) 6.746 4.036 ( 4.537 0.101 4.991) 6.746 4.057 ( -3.604 -0.424 -2.309) 4.301 4.057 ( -3.604 -0.424 2.309) 4.301 4.222 ( 0.610 2.930 -4.809) 5.664 4.222 ( 0.610 2.930 4.809) 5.664 4.313 ( -3.835 -6.030 -2.829) 7.686 4.313 ( -3.835 -6.030 2.829) 7.686 4.364 ( -2.641 -4.286 -2.010) 5.420 4.364 ( -2.641 -4.286 2.010) 5.420 4.444 ( 0.955 -0.491 -5.369) 5.475 4.444 ( 0.955 -0.491 5.369) 5.475 4.532 ( -1.537 -1.034 -2.417) 3.045 4.532 ( -1.537 -1.034 2.417) 3.045 4.625 ( 2.827 0.541 -0.946) 3.030 4.625 ( 2.827 0.541 0.946) 3.030 4.726 ( -2.794 -2.068 -3.731) 5.099 4.726 ( -2.794 -2.068 3.731) 5.099 4.842 ( -1.872 2.363 -5.404) 6.188 4.842 ( -1.872 2.363 5.404) 6.188 4.955 ( -4.549 -3.137 -1.695) 5.780 4.955 ( -4.549 -3.137 1.695) 5.780 5.034 ( -2.822 2.298 -0.535) 3.679 5.034 ( -2.822 2.298 0.535) 3.679 5.117 ( -0.366 -1.837 -2.088) 2.805 5.117 ( -0.366 -1.837 2.088) 2.805 5.183 ( -0.215 -1.484 -2.320) 2.762 5.183 ( -0.215 -1.484 2.320) 2.762 5.298 ( 2.373 -4.537 -0.315) 5.130 5.298 ( 2.373 -4.537 0.315) 5.130 5.360 ( 1.368 -7.820 -3.007) 8.489 5.360 ( 1.368 -7.820 3.007) 8.489 5.457 ( -1.274 -2.924 -1.058) 3.361 5.457 ( -1.274 -2.924 1.058) 3.361 5.546 ( 6.875 -0.960 -4.860) 8.474 5.546 ( 6.875 -0.960 4.860) 8.474 5.739 ( 2.198 -0.836 -0.912) 2.522 5.739 ( 2.198 -0.836 0.912) 2.522 5.843 ( -3.005 0.255 -2.207) 3.737 5.843 ( -3.005 0.255 2.207) 3.737 6.022 ( -1.720 0.401 -1.908) 2.601 6.022 ( -1.720 0.401 1.908) 2.601 6.329 ( 1.273 -0.185 -3.085) 3.342 6.329 ( 1.273 -0.185 3.085) 3.342 6.424 ( -1.513 -3.760 -3.524) 5.371 6.424 ( -1.513 -3.760 3.524) 5.371 7.050 ( 0.373 1.422 -1.731) 2.271 7.050 ( 0.373 1.422 1.731) 2.271 7.121 ( -2.349 -1.324 -2.090) 3.412 7.121 ( -2.349 -1.324 2.090) 3.412 7.264 ( 1.451 -0.093 -2.282) 2.706 7.264 ( 1.451 -0.093 2.282) 2.706 7.295 ( -0.014 -0.388 -2.335) 2.367 7.295 ( -0.014 -0.388 2.335) 2.367 8.083 ( 5.260 3.755 -2.607) 6.969 8.083 ( 5.260 3.755 2.607) 6.969 8.184 ( -1.067 6.197 -1.660) 6.504 8.184 ( -1.067 6.197 1.660) 6.504 8.334 ( 7.674 3.327 -3.445) 9.046 8.334 ( 7.674 3.327 3.445) 9.046 8.617 ( 0.275 -3.611 -2.238) 4.257 8.617 ( 0.275 -3.611 2.238) 4.257 8.820 ( 0.510 6.946 -0.899) 7.022 8.820 ( 0.510 6.946 0.899) 7.022 9.052 ( -6.213 2.166 -8.460) 10.718 9.052 ( -6.213 2.166 8.460) 10.718 9.375 ( 0.861 -2.549 -0.795) 2.805 9.375 ( 0.861 -2.549 0.795) 2.805 9.423 ( 3.129 -2.539 -4.431) 5.989 9.423 ( 3.129 -2.539 4.431) 5.989 9.555 ( -2.658 -0.761 -4.032) 4.889 9.555 ( -2.658 -0.761 4.032) 4.889 9.807 ( -5.869 -2.155 -4.760) 7.858 9.807 ( -5.869 -2.155 4.760) 7.858 9.820 ( 3.550 -5.045 -1.903) 6.456 9.820 ( 3.550 -5.045 1.903) 6.456 10.167 ( -2.543 -7.866 -5.704) 10.044 10.167 ( -2.543 -7.866 5.704) 10.044 10.328 ( 2.609 -4.161 -4.809) 6.874 10.328 ( 2.609 -4.161 4.809) 6.874 10.496 ( -1.881 -9.779 -6.472) 11.876 10.496 ( -1.881 -9.779 6.472) 11.876 10.705 ( 4.635 1.651 -2.396) 5.473 10.705 ( 4.635 1.651 2.396) 5.473 10.987 ( -2.441 -4.456 -2.013) 5.465 10.987 ( -2.441 -4.456 2.013) 5.465 11.265 ( 7.862 -7.002 -4.790) 11.567 11.265 ( 7.862 -7.002 4.790) 11.567 11.599 ( -10.115 -0.069 -1.522) 10.230 11.599 ( -10.115 -0.069 1.522) 10.230 11.999 ( 7.005 1.300 -8.848) 11.360 11.999 ( 7.005 1.300 8.848) 11.360 12.231 ( -1.971 -2.948 -3.155) 4.746 12.231 ( -1.971 -2.948 3.155) 4.746 12.474 ( 1.226 7.211 -2.547) 7.746 12.474 ( 1.226 7.211 2.547) 7.746 12.742 ( -8.269 11.536 -5.923) 15.380 12.742 ( -8.269 11.536 5.923) 15.380 13.028 ( 4.020 -3.484 -0.492) 5.342 13.028 ( 4.020 -3.484 0.492) 5.342 13.160 ( -0.394 0.537 -4.458) 4.508 13.160 ( -0.394 0.537 4.458) 4.508 16.536 ( 5.333 2.099 -1.902) 6.039 16.536 ( 5.333 2.099 1.902) 6.039 16.779 ( -3.998 -1.692 -3.031) 5.295 16.779 ( -3.998 -1.692 3.031) 5.295 16.977 ( 0.245 2.772 -0.400) 2.811 16.977 ( 0.245 2.772 0.400) 2.811 17.051 ( -2.057 0.490 -2.980) 3.654 17.051 ( -2.057 0.490 2.980) 3.654 17.278 ( 7.837 -4.135 -2.278) 9.149 17.278 ( 7.837 -4.135 2.278) 9.149 17.694 ( -8.436 -9.307 -1.506) 12.651 17.694 ( -8.436 -9.307 1.506) 12.651 18.938 ( 1.845 0.251 -2.589) 3.189 18.938 ( 1.845 0.251 2.589) 3.189 19.019 ( -1.012 -1.684 -2.228) 2.970 19.019 ( -1.012 -1.684 2.228) 2.970 ======================= Grid point 114 (39/45) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -10.682 7.438 -6.170) 14.405 1.603 ( 7.801 7.438 -5.671) 12.180 1.603 ( -7.801 7.438 5.671) 12.180 1.603 ( 10.682 7.438 6.170) 14.405 1.876 ( -2.822 15.137 -6.327) 16.647 1.876 ( 2.808 15.137 -6.326) 16.644 1.876 ( -2.808 15.137 6.326) 16.644 1.876 ( 2.822 15.137 6.327) 16.647 2.076 ( -3.220 7.869 -5.524) 10.139 2.076 ( 0.469 7.869 -5.421) 9.567 2.076 ( -0.469 7.869 5.421) 9.567 2.076 ( 3.220 7.869 5.524) 10.139 2.242 ( -3.960 7.684 -1.682) 8.806 2.242 ( -1.617 7.684 -1.174) 7.939 2.242 ( 1.617 7.684 1.174) 7.939 2.242 ( 3.960 7.684 1.682) 8.806 2.604 ( -3.799 0.938 -5.528) 6.773 2.604 ( 3.584 0.938 -5.512) 6.641 2.604 ( -3.584 0.938 5.512) 6.641 2.604 ( 3.799 0.938 5.528) 6.773 2.752 ( -3.210 7.510 -4.601) 9.374 2.752 ( 0.900 7.510 -4.485) 8.793 2.752 ( -0.900 7.510 4.485) 8.793 2.752 ( 3.210 7.510 4.601) 9.374 2.869 ( -2.097 5.808 -1.144) 6.280 2.869 ( 2.086 5.808 -1.141) 6.276 2.869 ( -2.086 5.808 1.141) 6.276 2.869 ( 2.097 5.808 1.144) 6.280 3.041 ( -5.940 4.401 -6.027) 9.538 3.041 ( 5.921 4.401 -6.025) 9.525 3.041 ( -5.921 4.401 6.025) 9.525 3.041 ( 5.940 4.401 6.027) 9.538 3.220 ( -1.933 2.402 -5.729) 6.505 3.220 ( 1.883 2.402 -5.727) 6.489 3.220 ( -1.883 2.402 5.727) 6.489 3.220 ( 1.933 2.402 5.729) 6.505 3.370 ( -1.294 7.067 -5.893) 9.292 3.370 ( 1.237 7.067 -5.891) 9.284 3.370 ( -1.237 7.067 5.891) 9.284 3.370 ( 1.294 7.067 5.893) 9.292 3.610 ( -5.010 -2.148 -3.568) 6.515 3.610 ( 3.291 -2.148 -3.338) 5.156 3.610 ( -3.291 -2.148 3.338) 5.156 3.610 ( 5.010 -2.148 3.568) 6.515 3.812 ( -7.237 -0.360 -0.171) 7.248 3.812 ( -7.234 -0.360 0.155) 7.245 3.812 ( 7.234 -0.360 -0.155) 7.245 3.812 ( 7.237 -0.360 0.171) 7.248 3.931 ( -2.438 -2.141 -3.962) 5.121 3.931 ( 1.555 -2.141 -3.912) 4.723 3.931 ( -1.555 -2.141 3.912) 4.723 3.931 ( 2.438 -2.141 3.962) 5.121 4.172 ( -5.253 4.471 -3.299) 7.646 4.172 ( 2.103 4.471 -2.883) 5.721 4.172 ( -2.103 4.471 2.883) 5.721 4.172 ( 5.253 4.471 3.299) 7.646 4.280 ( -2.191 -6.169 -5.477) 8.535 4.280 ( 1.934 -6.169 -5.466) 8.466 4.280 ( -1.934 -6.169 5.466) 8.466 4.280 ( 2.191 -6.169 5.477) 8.535 4.491 ( -2.856 -0.437 -6.295) 6.926 4.491 ( 2.671 -0.437 -6.286) 6.844 4.491 ( -2.671 -0.437 6.286) 6.844 4.491 ( 2.856 -0.437 6.295) 6.926 4.677 ( -1.796 -0.155 -2.765) 3.300 4.677 ( 1.369 -0.155 -2.738) 3.065 4.677 ( -1.369 -0.155 2.738) 3.065 4.677 ( 1.796 -0.155 2.765) 3.300 4.869 ( -4.077 -2.470 -0.773) 4.829 4.869 ( -4.077 -2.470 0.773) 4.829 4.869 ( 4.077 -2.470 -0.773) 4.829 4.869 ( 4.077 -2.470 0.773) 4.829 5.044 ( -4.168 2.088 -5.303) 7.061 5.044 ( 3.693 2.088 -5.264) 6.761 5.044 ( -3.693 2.088 5.264) 6.761 5.044 ( 4.168 2.088 5.303) 7.061 5.247 ( -5.304 -1.773 -0.492) 5.614 5.247 ( -5.300 -1.773 0.487) 5.610 5.247 ( 5.300 -1.773 -0.487) 5.610 5.247 ( 5.304 -1.773 0.492) 5.614 5.408 ( -2.139 -6.651 -5.115) 8.659 5.408 ( 1.646 -6.651 -5.095) 8.539 5.408 ( -1.646 -6.651 5.095) 8.539 5.408 ( 2.139 -6.651 5.115) 8.659 5.690 ( -3.861 -2.880 -4.784) 6.789 5.690 ( 2.045 -2.880 -4.658) 5.846 5.690 ( -2.045 -2.880 4.658) 5.846 5.690 ( 3.861 -2.880 4.784) 6.789 5.920 ( -6.045 0.187 -3.680) 7.080 5.920 ( 3.593 0.187 -3.305) 4.885 5.920 ( -3.593 0.187 3.305) 4.885 5.920 ( 6.045 0.187 3.680) 7.080 6.376 ( -2.623 -0.512 -2.920) 3.959 6.376 ( 2.570 -0.512 -2.915) 3.919 6.376 ( -2.570 -0.512 2.915) 3.919 6.376 ( 2.623 -0.512 2.920) 3.959 7.076 ( -1.836 0.209 -1.884) 2.639 7.076 ( 1.804 0.209 -1.881) 2.615 7.076 ( -1.804 0.209 1.881) 2.615 7.076 ( 1.836 0.209 1.884) 2.639 7.287 ( -0.754 -0.213 -2.705) 2.816 7.287 ( 0.754 -0.213 -2.705) 2.816 7.287 ( -0.754 -0.213 2.705) 2.816 7.287 ( 0.754 -0.213 2.705) 2.816 8.156 ( -1.383 5.524 -2.170) 6.094 8.156 ( 0.729 5.524 -2.134) 5.967 8.156 ( -0.729 5.524 2.134) 5.967 8.156 ( 1.383 5.524 2.170) 6.094 8.530 ( -8.049 -0.541 -1.591) 8.222 8.530 ( -7.720 -0.541 1.399) 7.865 8.530 ( 7.720 -0.541 -1.399) 7.865 8.530 ( 8.049 -0.541 1.591) 8.222 8.900 ( -6.294 3.199 -4.032) 8.131 8.900 ( 5.282 3.199 -3.867) 7.286 8.900 ( -5.282 3.199 3.867) 7.286 8.900 ( 6.294 3.199 4.032) 8.131 9.411 ( -2.442 -1.918 -1.268) 3.354 9.411 ( 0.697 -1.918 -0.999) 2.272 9.411 ( -0.697 -1.918 0.999) 2.272 9.411 ( 2.442 -1.918 1.268) 3.354 9.627 ( -6.989 -3.946 -6.463) 10.305 9.627 ( 5.872 -3.946 -6.338) 9.498 9.627 ( -5.872 -3.946 6.338) 9.498 9.627 ( 6.989 -3.946 6.463) 10.305 10.003 ( -9.619 -4.219 -4.571) 11.456 10.003 ( 9.566 -4.219 -4.559) 11.405 10.003 ( -9.566 -4.219 4.559) 11.405 10.003 ( 9.619 -4.219 4.571) 11.456 10.416 ( -4.265 -7.739 -6.006) 10.684 10.416 ( 3.956 -7.739 -5.983) 10.552 10.416 ( -3.956 -7.739 5.983) 10.552 10.416 ( 4.265 -7.739 6.006) 10.684 10.879 ( -3.468 -0.193 -12.752) 13.216 10.879 ( 0.176 -0.193 -12.699) 12.702 10.879 ( -0.176 -0.193 12.699) 12.702 10.879 ( 3.468 -0.193 12.752) 13.216 11.417 ( -6.616 -4.098 -1.452) 7.917 11.417 ( -5.206 -4.098 0.505) 6.645 11.417 ( 5.206 -4.098 -0.505) 6.645 11.417 ( 6.616 -4.098 1.452) 7.917 12.138 ( -5.249 1.338 -9.576) 11.002 12.138 ( 4.558 1.338 -9.536) 10.654 12.138 ( -4.558 1.338 9.536) 10.654 12.138 ( 5.249 1.338 9.576) 11.002 12.567 ( -6.140 8.199 -6.905) 12.353 12.567 ( 4.239 8.199 -6.744) 11.431 12.567 ( -4.239 8.199 6.744) 11.431 12.567 ( 6.140 8.199 6.905) 12.353 13.116 ( -2.980 -2.453 -2.331) 4.509 13.116 ( 0.923 -2.453 -2.131) 3.378 13.116 ( -0.923 -2.453 2.131) 3.378 13.116 ( 2.980 -2.453 2.331) 4.509 16.666 ( -5.947 0.094 -2.876) 6.607 16.666 ( 4.116 0.094 -2.495) 4.814 16.666 ( -4.116 0.094 2.495) 4.814 16.666 ( 5.947 0.094 2.876) 6.607 17.004 ( -1.899 1.629 -1.693) 3.021 17.004 ( 1.571 1.629 -1.655) 2.803 17.004 ( -1.571 1.629 1.655) 2.803 17.004 ( 1.899 1.629 1.693) 3.021 17.480 ( -6.641 -6.349 -5.784) 10.856 17.480 ( -2.698 -6.349 -5.419) 8.772 17.480 ( 2.698 -6.349 5.419) 8.772 17.480 ( 6.641 -6.349 5.784) 10.856 18.984 ( -2.084 -0.789 -2.143) 3.092 18.984 ( 2.081 -0.789 -2.143) 3.089 18.984 ( -2.081 -0.789 2.143) 3.089 18.984 ( 2.084 -0.789 2.143) 3.092 ======================= Grid point 120 (40/45) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 10.841 -10.545) 15.124 1.656 ( 0.000 10.841 10.545) 15.124 1.752 ( 0.000 9.169 -13.260) 16.121 1.752 ( 0.000 9.169 13.260) 16.121 1.944 ( 0.000 1.664 -8.737) 8.894 1.944 ( 0.000 1.664 8.737) 8.894 2.022 ( 0.000 3.682 -3.595) 5.146 2.022 ( 0.000 3.682 3.595) 5.146 2.168 ( 0.000 -0.326 -7.654) 7.661 2.168 ( 0.000 -0.326 7.654) 7.661 2.392 ( 0.000 -4.448 -5.376) 6.978 2.392 ( 0.000 -4.448 5.376) 6.978 2.474 ( 0.000 9.322 -0.159) 9.324 2.474 ( 0.000 9.322 0.159) 9.324 2.503 ( 0.000 6.765 -2.979) 7.392 2.503 ( 0.000 6.765 2.979) 7.392 2.617 ( 0.000 0.115 -7.452) 7.453 2.617 ( 0.000 0.115 7.452) 7.453 2.673 ( 0.000 7.195 -4.426) 8.447 2.673 ( 0.000 7.195 4.426) 8.447 2.807 ( 0.000 -2.158 -1.039) 2.396 2.807 ( 0.000 -2.158 1.039) 2.396 2.875 ( 0.000 -2.540 -1.739) 3.078 2.875 ( 0.000 -2.540 1.739) 3.078 2.901 ( 0.000 15.029 -3.365) 15.401 2.901 ( 0.000 15.029 3.365) 15.401 3.029 ( 0.000 6.532 -0.923) 6.597 3.029 ( 0.000 6.532 0.923) 6.597 3.032 ( 0.000 -4.010 -1.559) 4.303 3.032 ( 0.000 -4.010 1.559) 4.303 3.194 ( 0.000 13.606 -4.825) 14.436 3.194 ( 0.000 13.606 4.825) 14.436 3.208 ( 0.000 -2.480 -5.054) 5.629 3.208 ( 0.000 -2.480 5.054) 5.629 3.307 ( 0.000 13.174 -5.185) 14.158 3.307 ( 0.000 13.174 5.185) 14.158 3.465 ( 0.000 6.203 -3.177) 6.969 3.465 ( 0.000 6.203 3.177) 6.969 3.474 ( 0.000 -2.016 -6.262) 6.579 3.474 ( 0.000 -2.016 6.262) 6.579 3.587 ( 0.000 -4.001 -4.394) 5.942 3.587 ( 0.000 -4.001 4.394) 5.942 3.634 ( 0.000 11.339 -1.261) 11.409 3.634 ( 0.000 11.339 1.261) 11.409 3.703 ( 0.000 -1.183 -3.211) 3.422 3.703 ( 0.000 -1.183 3.211) 3.422 3.865 ( 0.000 3.367 -3.865) 5.126 3.865 ( 0.000 3.367 3.865) 5.126 3.878 ( 0.000 -0.082 -9.861) 9.861 3.878 ( 0.000 -0.082 9.861) 9.861 3.924 ( 0.000 7.676 -3.657) 8.503 3.924 ( 0.000 7.676 3.657) 8.503 4.177 ( 0.000 -6.185 -1.443) 6.351 4.177 ( 0.000 -6.185 1.443) 6.351 4.196 ( 0.000 2.382 -5.169) 5.692 4.196 ( 0.000 2.382 5.169) 5.692 4.275 ( 0.000 -9.407 -5.757) 11.029 4.275 ( 0.000 -9.407 5.757) 11.029 4.284 ( 0.000 5.804 -3.371) 6.712 4.284 ( 0.000 5.804 3.371) 6.712 4.409 ( 0.000 -8.033 -2.818) 8.513 4.409 ( 0.000 -8.033 2.818) 8.513 4.524 ( 0.000 6.062 -5.577) 8.238 4.524 ( 0.000 6.062 5.577) 8.238 4.607 ( 0.000 -0.284 -0.982) 1.022 4.607 ( 0.000 -0.284 0.982) 1.022 4.799 ( 0.000 -1.460 -5.750) 5.932 4.799 ( 0.000 -1.460 5.750) 5.932 4.865 ( 0.000 -11.948 -2.931) 12.302 4.865 ( 0.000 -11.948 2.931) 12.302 4.893 ( 0.000 -6.921 -3.140) 7.600 4.893 ( 0.000 -6.921 3.140) 7.600 4.981 ( 0.000 -0.521 -11.096) 11.109 4.981 ( 0.000 -0.521 11.096) 11.109 5.010 ( 0.000 -9.634 -3.699) 10.320 5.010 ( 0.000 -9.634 3.699) 10.320 5.162 ( 0.000 0.733 -4.844) 4.899 5.162 ( 0.000 0.733 4.844) 4.899 5.190 ( 0.000 -1.260 -4.156) 4.343 5.190 ( 0.000 -1.260 4.156) 4.343 5.282 ( 0.000 4.061 -2.459) 4.748 5.282 ( 0.000 4.061 2.459) 4.748 5.396 ( 0.000 0.867 -3.442) 3.549 5.396 ( 0.000 0.867 3.442) 3.549 5.566 ( 0.000 1.092 -2.865) 3.066 5.566 ( 0.000 1.092 2.865) 3.066 5.666 ( 0.000 -2.457 -3.169) 4.010 5.666 ( 0.000 -2.457 3.169) 4.010 5.973 ( 0.000 -0.005 -6.120) 6.120 5.973 ( 0.000 -0.005 6.120) 6.120 5.993 ( 0.000 0.376 -2.507) 2.535 5.993 ( 0.000 0.376 2.507) 2.535 6.293 ( 0.000 -1.862 -5.414) 5.725 6.293 ( 0.000 -1.862 5.414) 5.725 6.327 ( 0.000 -4.489 -3.537) 5.715 6.327 ( 0.000 -4.489 3.537) 5.715 7.064 ( 0.000 0.203 -1.214) 1.231 7.064 ( 0.000 0.203 1.214) 1.231 7.112 ( 0.000 -2.738 -0.979) 2.908 7.112 ( 0.000 -2.738 0.979) 2.908 7.248 ( 0.000 2.100 -2.450) 3.227 7.248 ( 0.000 2.100 2.450) 3.227 7.302 ( 0.000 0.173 -1.716) 1.724 7.302 ( 0.000 0.173 1.716) 1.724 8.087 ( 0.000 5.969 -2.592) 6.508 8.087 ( 0.000 5.969 2.592) 6.508 8.277 ( 0.000 0.327 -0.882) 0.941 8.277 ( 0.000 0.327 0.882) 0.941 8.373 ( 0.000 5.570 -4.337) 7.060 8.373 ( 0.000 5.570 4.337) 7.060 8.506 ( 0.000 -3.760 -4.331) 5.735 8.506 ( 0.000 -3.760 4.331) 5.735 8.975 ( 0.000 6.214 -1.880) 6.492 8.975 ( 0.000 6.214 1.880) 6.492 9.108 ( 0.000 -2.201 -6.648) 7.003 9.108 ( 0.000 -2.201 6.648) 7.003 9.339 ( 0.000 -1.708 -2.241) 2.818 9.339 ( 0.000 -1.708 2.241) 2.818 9.361 ( 0.000 -1.387 -2.230) 2.626 9.361 ( 0.000 -1.387 2.230) 2.626 9.606 ( 0.000 3.553 -6.490) 7.399 9.606 ( 0.000 3.553 6.490) 7.399 9.707 ( 0.000 -0.695 -1.327) 1.498 9.707 ( 0.000 -0.695 1.327) 1.498 9.884 ( 0.000 -4.272 -2.419) 4.909 9.884 ( 0.000 -4.272 2.419) 4.909 9.964 ( 0.000 -6.303 -2.999) 6.980 9.964 ( 0.000 -6.303 2.999) 6.980 10.241 ( 0.000 -2.814 -3.753) 4.691 10.241 ( 0.000 -2.814 3.753) 4.691 10.372 ( 0.000 -7.710 -12.453) 14.646 10.372 ( 0.000 -7.710 12.453) 14.646 10.777 ( 0.000 8.045 -11.681) 14.183 10.777 ( 0.000 8.045 11.681) 14.183 10.900 ( 0.000 -5.315 -15.907) 16.772 10.900 ( 0.000 -5.315 15.907) 16.772 11.077 ( 0.000 3.169 -7.232) 7.896 11.077 ( 0.000 3.169 7.232) 7.896 11.642 ( 0.000 -15.631 -4.485) 16.262 11.642 ( 0.000 -15.631 4.485) 16.262 11.930 ( 0.000 6.454 -12.187) 13.791 11.930 ( 0.000 6.454 12.187) 13.791 12.138 ( 0.000 -4.489 -11.716) 12.546 12.138 ( 0.000 -4.489 11.716) 12.546 12.605 ( 0.000 6.218 -5.163) 8.082 12.605 ( 0.000 6.218 5.163) 8.082 12.849 ( 0.000 -7.368 -3.883) 8.329 12.849 ( 0.000 -7.368 3.883) 8.329 13.067 ( 0.000 8.863 -6.560) 11.027 13.067 ( 0.000 8.863 6.560) 11.027 13.214 ( 0.000 1.560 -8.460) 8.603 13.214 ( 0.000 1.560 8.460) 8.603 16.548 ( 0.000 4.698 -1.938) 5.082 16.548 ( 0.000 4.698 1.938) 5.082 16.749 ( 0.000 -4.944 -2.384) 5.489 16.749 ( 0.000 -4.944 2.384) 5.489 17.033 ( 0.000 -1.144 -5.089) 5.216 17.033 ( 0.000 -1.144 5.089) 5.216 17.047 ( 0.000 0.149 -4.788) 4.790 17.047 ( 0.000 0.149 4.788) 4.790 17.212 ( 0.000 6.247 -1.186) 6.359 17.212 ( 0.000 6.247 1.186) 6.359 17.580 ( 0.000 -11.156 -1.588) 11.269 17.580 ( 0.000 -11.156 1.588) 11.269 18.932 ( 0.000 0.959 -2.863) 3.019 18.932 ( 0.000 0.959 2.863) 3.019 18.990 ( 0.000 -2.025 -2.646) 3.331 18.990 ( 0.000 -2.025 2.646) 3.331 ======================= Grid point 122 (41/45) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 1.307 9.712 -7.550) 12.371 1.631 ( 1.307 9.712 7.550) 12.371 1.789 ( -1.556 1.165 -6.371) 6.661 1.789 ( -1.556 1.165 6.371) 6.661 1.965 ( 3.672 5.059 -3.600) 7.213 1.965 ( 3.672 5.059 3.600) 7.213 2.076 ( 3.714 8.338 -3.143) 9.653 2.076 ( 3.714 8.338 3.143) 9.653 2.160 ( 0.694 0.838 -5.834) 5.934 2.160 ( 0.694 0.838 5.834) 5.934 2.351 ( -7.116 5.116 -0.682) 8.790 2.351 ( -7.116 5.116 0.682) 8.790 2.375 ( -5.035 0.390 -4.384) 6.687 2.375 ( -5.035 0.390 4.384) 6.687 2.505 ( -7.129 1.634 -2.525) 7.737 2.505 ( -7.129 1.634 2.525) 7.737 2.603 ( 4.786 7.940 -2.547) 9.614 2.603 ( 4.786 7.940 2.547) 9.614 2.640 ( 0.924 5.013 -4.624) 6.882 2.640 ( 0.924 5.013 4.624) 6.882 2.832 ( 0.418 -0.254 -2.532) 2.579 2.832 ( 0.418 -0.254 2.532) 2.579 2.843 ( 0.102 4.993 -1.060) 5.105 2.843 ( 0.102 4.993 1.060) 5.105 2.925 ( 1.952 2.323 -3.938) 4.971 2.925 ( 1.952 2.323 3.938) 4.971 3.005 ( -0.403 6.348 -2.701) 6.911 3.005 ( -0.403 6.348 2.701) 6.911 3.113 ( 0.228 5.163 -4.225) 6.675 3.113 ( 0.228 5.163 4.225) 6.675 3.182 ( 3.684 -2.871 -1.948) 5.060 3.182 ( 3.684 -2.871 1.948) 5.060 3.263 ( -0.837 9.927 -0.735) 9.990 3.263 ( -0.837 9.927 0.735) 9.990 3.328 ( -0.095 6.517 -4.124) 7.713 3.328 ( -0.095 6.517 4.124) 7.713 3.402 ( 1.136 5.179 -1.070) 5.409 3.402 ( 1.136 5.179 1.070) 5.409 3.511 ( -0.891 3.181 -1.709) 3.719 3.511 ( -0.891 3.181 1.709) 3.719 3.577 ( -1.519 4.795 -5.929) 7.775 3.577 ( -1.519 4.795 5.929) 7.775 3.652 ( 2.877 -2.357 -4.574) 5.895 3.652 ( 2.877 -2.357 4.574) 5.895 3.725 ( 1.675 3.761 -3.259) 5.251 3.725 ( 1.675 3.761 3.259) 5.251 3.826 ( 2.194 1.065 -2.201) 3.285 3.826 ( 2.194 1.065 2.201) 3.285 3.892 ( 0.578 3.784 -3.238) 5.014 3.892 ( 0.578 3.784 3.238) 5.014 4.004 ( -0.125 2.068 -4.916) 5.334 4.004 ( -0.125 2.068 4.916) 5.334 4.143 ( -2.282 -2.139 -4.548) 5.520 4.143 ( -2.282 -2.139 4.548) 5.520 4.180 ( 0.056 -1.722 -2.136) 2.744 4.180 ( 0.056 -1.722 2.136) 2.744 4.225 ( -3.401 -1.493 -2.128) 4.281 4.225 ( -3.401 -1.493 2.128) 4.281 4.305 ( 1.622 -2.912 -6.142) 6.988 4.305 ( 1.622 -2.912 6.142) 6.988 4.455 ( 0.925 1.669 -0.503) 1.973 4.455 ( 0.925 1.669 0.503) 1.973 4.514 ( 3.716 -0.747 -1.751) 4.175 4.514 ( 3.716 -0.747 1.751) 4.175 4.619 ( -0.962 -1.564 -1.388) 2.302 4.619 ( -0.962 -1.564 1.388) 2.302 4.689 ( -5.008 -1.058 -2.977) 5.921 4.689 ( -5.008 -1.058 2.977) 5.921 4.811 ( -4.261 -6.874 -2.121) 8.361 4.811 ( -4.261 -6.874 2.121) 8.361 4.868 ( -2.505 -4.615 -2.205) 5.695 4.868 ( -2.505 -4.615 2.205) 5.695 5.010 ( 3.945 -7.904 -1.143) 8.907 5.010 ( 3.945 -7.904 1.143) 8.907 5.075 ( -1.578 -0.427 -3.447) 3.815 5.075 ( -1.578 -0.427 3.447) 3.815 5.156 ( 2.412 -0.494 -1.679) 2.980 5.156 ( 2.412 -0.494 1.679) 2.980 5.211 ( 0.427 -0.046 -1.867) 1.916 5.211 ( 0.427 -0.046 1.867) 1.916 5.272 ( 1.155 -1.077 -1.060) 1.902 5.272 ( 1.155 -1.077 1.060) 1.902 5.407 ( -2.505 -3.072 -4.094) 5.699 5.407 ( -2.505 -3.072 4.094) 5.699 5.565 ( 1.940 1.944 -3.460) 4.418 5.565 ( 1.940 1.944 3.460) 4.418 5.689 ( -0.196 -3.827 -1.598) 4.152 5.689 ( -0.196 -3.827 1.598) 4.152 5.869 ( -2.129 2.407 -5.009) 5.951 5.869 ( -2.129 2.407 5.009) 5.951 6.006 ( -2.192 -1.985 -0.274) 2.970 6.006 ( -2.192 -1.985 0.274) 2.970 6.312 ( 2.020 -1.102 -3.113) 3.871 6.312 ( 2.020 -1.102 3.113) 3.871 6.365 ( 1.513 -2.486 -2.580) 3.889 6.365 ( 1.513 -2.486 2.580) 3.889 7.063 ( 0.093 -0.091 -0.684) 0.697 7.063 ( 0.093 -0.091 0.684) 0.697 7.098 ( -1.049 -1.045 -0.818) 1.692 7.098 ( -1.049 -1.045 0.818) 1.692 7.267 ( 1.231 0.728 -2.365) 2.763 7.267 ( 1.231 0.728 2.365) 2.763 7.298 ( -0.334 0.338 -2.162) 2.214 7.298 ( -0.334 0.338 2.162) 2.214 8.162 ( 5.193 4.478 -2.482) 7.292 8.162 ( 5.193 4.478 2.482) 7.292 8.274 ( -0.527 2.083 -0.660) 2.247 8.274 ( -0.527 2.083 0.660) 2.247 8.403 ( 3.562 3.429 -4.793) 6.887 8.403 ( 3.562 3.429 4.793) 6.887 8.542 ( 2.196 -3.435 -4.339) 5.954 8.542 ( 2.196 -3.435 4.339) 5.954 8.947 ( -1.899 5.514 -1.921) 6.140 8.947 ( -1.899 5.514 1.921) 6.140 9.060 ( -4.440 -1.059 -6.236) 7.728 9.060 ( -4.440 -1.059 6.236) 7.728 9.341 ( 0.895 -0.910 -1.297) 1.819 9.341 ( 0.895 -0.910 1.297) 1.819 9.378 ( 0.866 -2.514 -1.399) 3.005 9.378 ( 0.866 -2.514 1.399) 3.005 9.562 ( -1.844 2.086 -5.860) 6.488 9.562 ( -1.844 2.086 5.860) 6.488 9.713 ( -4.921 -4.039 -4.593) 7.851 9.713 ( -4.921 -4.039 4.593) 7.851 9.806 ( 1.899 1.079 -1.200) 2.492 9.806 ( 1.899 1.079 1.200) 2.492 10.004 ( -1.024 -7.749 -0.614) 7.841 10.004 ( -1.024 -7.749 0.614) 7.841 10.256 ( 1.406 -2.943 -4.479) 5.541 10.256 ( 1.406 -2.943 4.479) 5.541 10.339 ( -2.179 -6.803 -10.129) 12.395 10.339 ( -2.179 -6.803 10.129) 12.395 10.813 ( 3.639 6.515 -8.551) 11.349 10.813 ( 3.639 6.515 8.551) 11.349 10.921 ( 0.902 -1.947 -9.592) 9.829 10.921 ( 0.902 -1.947 9.592) 9.829 11.179 ( 7.593 0.076 -2.683) 8.054 11.179 ( 7.593 0.076 2.683) 8.054 11.536 ( -7.911 -8.001 -0.442) 11.260 11.536 ( -7.911 -8.001 0.442) 11.260 11.993 ( 4.871 -0.280 -10.282) 11.381 11.993 ( 4.871 -0.280 10.282) 11.381 12.170 ( 1.209 -2.842 -8.689) 9.221 12.170 ( 1.209 -2.842 8.689) 9.221 12.581 ( -0.089 3.983 -3.459) 5.276 12.581 ( -0.089 3.983 3.459) 5.276 12.848 ( -3.746 -1.475 -2.334) 4.654 12.848 ( -3.746 -1.475 2.334) 4.654 13.022 ( -0.043 4.815 -3.547) 5.980 13.022 ( -0.043 4.815 3.547) 5.980 13.190 ( -2.650 1.141 -4.681) 5.499 13.190 ( -2.650 1.141 4.681) 5.499 16.586 ( 3.147 3.107 -1.832) 4.787 16.586 ( 3.147 3.107 1.832) 4.787 16.726 ( -2.103 -3.536 -2.076) 4.608 16.726 ( -2.103 -3.536 2.076) 4.608 17.008 ( 0.477 0.967 -1.947) 2.225 17.008 ( 0.477 0.967 1.947) 2.225 17.096 ( 0.208 1.950 -1.221) 2.310 17.096 ( 0.208 1.950 1.221) 2.310 17.232 ( 3.415 0.995 -1.786) 3.980 17.232 ( 3.415 0.995 1.786) 3.980 17.512 ( -5.747 -9.442 -1.591) 11.167 17.512 ( -5.747 -9.442 1.591) 11.167 18.944 ( 1.030 0.465 -2.484) 2.729 18.944 ( 1.030 0.465 2.484) 2.729 18.986 ( -0.417 -1.674 -2.362) 2.924 18.986 ( -0.417 -1.674 2.362) 2.924 ======================= Grid point 124 (42/45) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -3.941 3.455 -6.873) 8.644 1.713 ( 3.033 3.455 -6.822) 8.226 1.713 ( -3.033 3.455 6.822) 8.226 1.713 ( 3.941 3.455 6.873) 8.644 2.061 ( -3.136 5.582 -2.323) 6.811 2.061 ( -0.503 5.582 -2.081) 5.979 2.061 ( 0.503 5.582 2.081) 5.979 2.061 ( 3.136 5.582 2.323) 6.811 2.231 ( -3.793 6.954 -4.340) 9.032 2.231 ( 3.788 6.954 -4.340) 9.030 2.231 ( -3.788 6.954 4.340) 9.030 2.231 ( 3.793 6.954 4.340) 9.032 2.339 ( -6.679 2.216 -1.710) 7.241 2.339 ( -5.821 2.216 1.316) 6.366 2.339 ( 5.821 2.216 -1.316) 6.366 2.339 ( 6.679 2.216 1.710) 7.241 2.667 ( -0.839 4.906 -4.639) 6.804 2.667 ( 0.641 4.906 -4.636) 6.780 2.667 ( -0.641 4.906 4.636) 6.780 2.667 ( 0.839 4.906 4.639) 6.804 2.852 ( -1.119 1.464 -3.444) 3.906 2.852 ( 1.058 1.464 -3.442) 3.887 2.852 ( -1.058 1.464 3.442) 3.887 2.852 ( 1.119 1.464 3.444) 3.906 2.979 ( -2.627 5.154 -4.626) 7.407 2.979 ( 2.538 5.154 -4.621) 7.373 2.979 ( -2.538 5.154 4.621) 7.373 2.979 ( 2.627 5.154 4.626) 7.407 3.153 ( -3.591 3.267 -3.488) 5.978 3.153 ( 0.960 3.267 -3.292) 4.736 3.153 ( -0.960 3.267 3.292) 4.736 3.153 ( 3.591 3.267 3.488) 5.978 3.274 ( -3.151 5.104 -2.068) 6.345 3.274 ( 3.082 5.104 -2.056) 6.307 3.274 ( -3.082 5.104 2.056) 6.307 3.274 ( 3.151 5.104 2.068) 6.345 3.479 ( -1.251 5.359 -4.926) 7.385 3.479 ( 0.392 5.359 -4.910) 7.278 3.479 ( -0.392 5.359 4.910) 7.278 3.479 ( 1.251 5.359 4.926) 7.385 3.603 ( -4.273 1.361 -2.987) 5.388 3.603 ( 4.088 1.361 -2.958) 5.227 3.603 ( -4.088 1.361 2.958) 5.227 3.603 ( 4.273 1.361 2.987) 5.388 3.855 ( -6.544 3.644 -2.961) 8.054 3.855 ( 0.746 3.644 -2.018) 4.232 3.855 ( -0.746 3.644 2.018) 4.232 3.855 ( 6.544 3.644 2.961) 8.054 3.913 ( -3.701 0.290 -3.244) 4.930 3.913 ( 3.519 0.290 -3.222) 4.780 3.913 ( -3.519 0.290 3.222) 4.780 3.913 ( 3.701 0.290 3.244) 4.930 4.113 ( -2.634 -7.756 -1.685) 8.362 4.113 ( 1.749 -7.756 -1.551) 8.100 4.113 ( -1.749 -7.756 1.551) 8.100 4.113 ( 2.634 -7.756 1.685) 8.362 4.295 ( -6.037 5.707 -5.660) 10.052 4.295 ( 6.030 5.707 -5.659) 10.048 4.295 ( -6.030 5.707 5.659) 10.048 4.295 ( 6.037 5.707 5.660) 10.052 4.498 ( -5.441 0.412 -6.618) 8.577 4.498 ( 5.440 0.412 -6.618) 8.576 4.498 ( -5.440 0.412 6.618) 8.576 4.498 ( 5.441 0.412 6.618) 8.577 4.651 ( -2.682 -3.071 -2.705) 4.893 4.651 ( 2.530 -3.071 -2.688) 4.802 4.651 ( -2.530 -3.071 2.688) 4.802 4.651 ( 2.682 -3.071 2.705) 4.893 4.782 ( -2.159 -3.973 -4.330) 6.261 4.782 ( 0.217 -3.973 -4.271) 5.837 4.782 ( -0.217 -3.973 4.271) 5.837 4.782 ( 2.159 -3.973 4.330) 6.261 5.035 ( -1.418 -4.409 -2.554) 5.289 5.035 ( 1.392 -4.409 -2.552) 5.281 5.035 ( -1.392 -4.409 2.552) 5.281 5.035 ( 1.418 -4.409 2.554) 5.289 5.231 ( -2.776 -0.173 -0.934) 2.934 5.231 ( -0.969 -0.173 -0.348) 1.044 5.231 ( 0.969 -0.173 0.348) 1.044 5.231 ( 2.776 -0.173 0.934) 2.934 5.304 ( -4.589 -2.557 -5.086) 7.312 5.304 ( 4.410 -2.557 -5.068) 7.189 5.304 ( -4.410 -2.557 5.068) 7.189 5.304 ( 4.589 -2.557 5.086) 7.312 5.635 ( -3.030 -2.335 -5.644) 6.818 5.635 ( 2.665 -2.335 -5.623) 6.646 5.635 ( -2.665 -2.335 5.623) 6.646 5.635 ( 3.030 -2.335 5.644) 6.818 5.924 ( -3.920 -0.045 -3.974) 5.582 5.924 ( 1.837 -0.045 -3.802) 4.223 5.924 ( -1.837 -0.045 3.802) 4.223 5.924 ( 3.920 -0.045 3.974) 5.582 6.360 ( -1.656 -0.984 -2.803) 3.401 6.360 ( 1.464 -0.984 -2.791) 3.302 6.360 ( -1.464 -0.984 2.791) 3.302 6.360 ( 1.656 -0.984 2.803) 3.401 7.075 ( -0.368 -0.320 -1.151) 1.250 7.075 ( -0.089 -0.320 -1.144) 1.192 7.075 ( 0.089 -0.320 1.144) 1.192 7.075 ( 0.368 -0.320 1.151) 1.250 7.288 ( -0.611 0.368 -3.088) 3.169 7.288 ( 0.598 0.368 -3.088) 3.166 7.288 ( -0.598 0.368 3.088) 3.166 7.288 ( 0.611 0.368 3.088) 3.169 8.245 ( -1.768 3.308 -2.033) 4.267 8.245 ( 0.607 3.308 -1.957) 3.891 8.245 ( -0.607 3.308 1.957) 3.891 8.245 ( 1.768 3.308 2.033) 4.267 8.520 ( -4.890 -0.288 -4.440) 6.611 8.520 ( 4.466 -0.288 -4.390) 6.269 8.520 ( -4.466 -0.288 4.390) 6.269 8.520 ( 4.890 -0.288 4.440) 6.611 8.955 ( -3.422 2.004 -3.437) 5.247 8.955 ( 2.948 2.004 -3.388) 4.918 8.955 ( -2.948 2.004 3.388) 4.918 8.955 ( 3.422 2.004 3.437) 5.247 9.373 ( -1.312 -1.811 -2.258) 3.178 9.373 ( 1.193 -1.811 -2.250) 3.125 9.373 ( -1.193 -1.811 2.250) 3.125 9.373 ( 1.312 -1.811 2.258) 3.178 9.586 ( -4.259 -0.547 -6.204) 7.545 9.586 ( 4.259 -0.547 -6.204) 7.545 9.586 ( -4.259 -0.547 6.204) 7.545 9.586 ( 4.259 -0.547 6.204) 7.545 9.915 ( -5.777 -3.746 -1.679) 7.087 9.915 ( -3.149 -3.746 0.463) 4.916 9.915 ( 3.149 -3.746 -0.463) 4.916 9.915 ( 5.777 -3.746 1.679) 7.087 10.295 ( -1.963 -4.561 -6.526) 8.200 10.295 ( 1.962 -4.561 -6.526) 8.200 10.295 ( -1.962 -4.561 6.526) 8.200 10.295 ( 1.963 -4.561 6.526) 8.200 10.901 ( -1.753 1.414 -15.079) 15.246 10.901 ( 1.440 1.414 -15.076) 15.210 10.901 ( -1.440 1.414 15.076) 15.210 10.901 ( 1.753 1.414 15.079) 15.246 11.354 ( -6.155 -2.091 -4.268) 7.776 11.354 ( -1.649 -2.091 -3.783) 4.626 11.354 ( 1.649 -2.091 3.783) 4.626 11.354 ( 6.155 -2.091 4.268) 7.776 12.117 ( -5.288 -2.499 -7.038) 9.151 12.117 ( 4.789 -2.499 -6.998) 8.841 12.117 ( -4.789 -2.499 6.998) 8.841 12.117 ( 5.288 -2.499 7.038) 9.151 12.679 ( -8.390 3.383 -7.168) 11.542 12.679 ( 8.027 3.383 -7.121) 11.252 12.679 ( -8.027 3.383 7.121) 11.252 12.679 ( 8.390 3.383 7.168) 11.542 13.101 ( -4.872 0.532 -1.639) 5.167 13.101 ( -1.022 0.532 -0.407) 1.222 13.101 ( 1.022 0.532 0.407) 1.222 13.101 ( 4.872 0.532 1.639) 5.167 16.663 ( -3.134 -0.316 -2.414) 3.968 16.663 ( 1.536 -0.316 -2.235) 2.731 16.663 ( -1.536 -0.316 2.235) 2.731 16.663 ( 3.134 -0.316 2.414) 3.968 17.051 ( -1.415 3.004 -4.258) 5.400 17.051 ( 0.247 3.004 -4.232) 5.196 17.051 ( -0.247 3.004 4.232) 5.196 17.051 ( 1.415 3.004 4.258) 5.400 17.361 ( -5.243 -5.576 -4.277) 8.768 17.361 ( -0.953 -5.576 -3.916) 6.880 17.361 ( 0.953 -5.576 3.916) 6.880 17.361 ( 5.243 -5.576 4.277) 8.768 18.969 ( -1.070 -0.669 -2.073) 2.427 18.969 ( 1.070 -0.669 -2.073) 2.427 18.969 ( -1.070 -0.669 2.073) 2.427 18.969 ( 1.070 -0.669 2.073) 2.427 ======================= Grid point 130 (43/45) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 -3.044 -8.580) 9.104 1.794 ( 0.000 3.044 -8.580) 9.104 1.794 ( 0.000 -3.044 8.580) 9.104 1.794 ( 0.000 3.044 8.580) 9.104 2.014 ( 0.000 -4.193 -3.756) 5.630 2.014 ( 0.000 4.193 -3.756) 5.630 2.014 ( 0.000 -4.193 3.756) 5.630 2.014 ( 0.000 4.193 3.756) 5.630 2.250 ( 0.000 -8.737 -11.051) 14.087 2.250 ( 0.000 8.737 -11.051) 14.087 2.250 ( 0.000 -8.737 11.051) 14.087 2.250 ( 0.000 8.737 11.051) 14.087 2.594 ( 0.000 -3.110 -6.387) 7.104 2.594 ( 0.000 3.110 -6.387) 7.104 2.594 ( 0.000 -3.110 6.387) 7.104 2.594 ( 0.000 3.110 6.387) 7.104 2.671 ( 0.000 -8.992 -2.421) 9.312 2.671 ( 0.000 -8.992 2.421) 9.312 2.671 ( 0.000 8.992 -2.421) 9.312 2.671 ( 0.000 8.992 2.421) 9.312 2.795 ( 0.000 -6.613 -2.954) 7.243 2.795 ( 0.000 -6.613 2.954) 7.243 2.795 ( 0.000 6.613 -2.954) 7.243 2.795 ( 0.000 6.613 2.954) 7.243 3.035 ( 0.000 -0.948 -2.986) 3.133 3.035 ( 0.000 0.948 -2.986) 3.133 3.035 ( 0.000 -0.948 2.986) 3.133 3.035 ( 0.000 0.948 2.986) 3.133 3.141 ( 0.000 -5.632 -5.422) 7.818 3.141 ( 0.000 5.632 -5.422) 7.818 3.141 ( 0.000 -5.632 5.422) 7.818 3.141 ( 0.000 5.632 5.422) 7.818 3.384 ( 0.000 -7.057 -6.695) 9.727 3.384 ( 0.000 7.057 -6.695) 9.727 3.384 ( 0.000 -7.057 6.695) 9.727 3.384 ( 0.000 7.057 6.695) 9.727 3.455 ( 0.000 -4.813 -3.815) 6.142 3.455 ( 0.000 4.813 -3.815) 6.142 3.455 ( 0.000 -4.813 3.815) 6.142 3.455 ( 0.000 4.813 3.815) 6.142 3.644 ( 0.000 -8.271 -3.750) 9.081 3.644 ( 0.000 -8.271 3.750) 9.081 3.644 ( 0.000 8.271 -3.750) 9.081 3.644 ( 0.000 8.271 3.750) 9.081 3.861 ( 0.000 -4.881 -4.113) 6.383 3.861 ( 0.000 4.881 -4.113) 6.383 3.861 ( 0.000 -4.881 4.113) 6.383 3.861 ( 0.000 4.881 4.113) 6.383 3.997 ( 0.000 -12.230 -2.788) 12.543 3.997 ( 0.000 -12.230 2.788) 12.543 3.997 ( 0.000 12.230 -2.788) 12.543 3.997 ( 0.000 12.230 2.788) 12.543 4.090 ( 0.000 -9.119 -3.450) 9.750 4.090 ( 0.000 -9.119 3.450) 9.750 4.090 ( 0.000 9.119 -3.450) 9.750 4.090 ( 0.000 9.119 3.450) 9.750 4.245 ( 0.000 -6.717 -5.234) 8.515 4.245 ( 0.000 6.717 -5.234) 8.515 4.245 ( 0.000 -6.717 5.234) 8.515 4.245 ( 0.000 6.717 5.234) 8.515 4.506 ( 0.000 -12.003 -4.451) 12.802 4.506 ( 0.000 -12.003 4.451) 12.802 4.506 ( 0.000 12.003 -4.451) 12.802 4.506 ( 0.000 12.003 4.451) 12.802 4.635 ( 0.000 -6.993 -2.001) 7.274 4.635 ( 0.000 -6.993 2.001) 7.274 4.635 ( 0.000 6.993 -2.001) 7.274 4.635 ( 0.000 6.993 2.001) 7.274 4.781 ( 0.000 -1.775 -2.355) 2.949 4.781 ( 0.000 1.775 -2.355) 2.949 4.781 ( 0.000 -1.775 2.355) 2.949 4.781 ( 0.000 1.775 2.355) 2.949 4.960 ( 0.000 -0.531 -7.398) 7.417 4.960 ( 0.000 0.531 -7.398) 7.417 4.960 ( 0.000 -0.531 7.398) 7.417 4.960 ( 0.000 0.531 7.398) 7.417 5.184 ( 0.000 -0.702 -1.607) 1.753 5.184 ( 0.000 0.702 -1.607) 1.753 5.184 ( 0.000 -0.702 1.607) 1.753 5.184 ( 0.000 0.702 1.607) 1.753 5.369 ( 0.000 -3.878 -3.717) 5.372 5.369 ( 0.000 3.878 -3.717) 5.372 5.369 ( 0.000 -3.878 3.717) 5.372 5.369 ( 0.000 3.878 3.717) 5.372 5.602 ( 0.000 -3.296 -1.869) 3.789 5.602 ( 0.000 -3.296 1.869) 3.789 5.602 ( 0.000 3.296 -1.869) 3.789 5.602 ( 0.000 3.296 1.869) 3.789 5.986 ( 0.000 -0.549 -4.276) 4.311 5.986 ( 0.000 0.549 -4.276) 4.311 5.986 ( 0.000 -0.549 4.276) 4.311 5.986 ( 0.000 0.549 4.276) 4.311 6.276 ( 0.000 -0.412 -4.572) 4.591 6.276 ( 0.000 0.412 -4.572) 4.591 6.276 ( 0.000 -0.412 4.572) 4.591 6.276 ( 0.000 0.412 4.572) 4.591 7.074 ( 0.000 -1.049 -0.991) 1.443 7.074 ( 0.000 1.049 -0.991) 1.443 7.074 ( 0.000 -1.049 0.991) 1.443 7.074 ( 0.000 1.049 0.991) 1.443 7.289 ( 0.000 -1.631 -2.107) 2.665 7.289 ( 0.000 1.631 -2.107) 2.665 7.289 ( 0.000 -1.631 2.107) 2.665 7.289 ( 0.000 1.631 2.107) 2.665 8.209 ( 0.000 -6.115 -2.026) 6.442 8.209 ( 0.000 -6.115 2.026) 6.442 8.209 ( 0.000 6.115 -2.026) 6.442 8.209 ( 0.000 6.115 2.026) 6.442 8.452 ( 0.000 -2.697 -4.563) 5.301 8.452 ( 0.000 2.697 -4.563) 5.301 8.452 ( 0.000 -2.697 4.563) 5.301 8.452 ( 0.000 2.697 4.563) 5.301 9.061 ( 0.000 -2.979 -2.422) 3.839 9.061 ( 0.000 2.979 -2.422) 3.839 9.061 ( 0.000 -2.979 2.422) 3.839 9.061 ( 0.000 2.979 2.422) 3.839 9.328 ( 0.000 -0.747 -2.110) 2.238 9.328 ( 0.000 0.747 -2.110) 2.238 9.328 ( 0.000 -0.747 2.110) 2.238 9.328 ( 0.000 0.747 2.110) 2.238 9.691 ( 0.000 -2.026 -3.450) 4.000 9.691 ( 0.000 2.026 -3.450) 4.000 9.691 ( 0.000 -2.026 3.450) 4.000 9.691 ( 0.000 2.026 3.450) 4.000 9.862 ( 0.000 -3.152 -1.755) 3.608 9.862 ( 0.000 -3.152 1.755) 3.608 9.862 ( 0.000 3.152 -1.755) 3.608 9.862 ( 0.000 3.152 1.755) 3.608 10.246 ( 0.000 -3.917 -8.639) 9.486 10.246 ( 0.000 3.917 -8.639) 9.486 10.246 ( 0.000 -3.917 8.639) 9.486 10.246 ( 0.000 3.917 8.639) 9.486 10.853 ( 0.000 -0.716 -13.502) 13.521 10.853 ( 0.000 0.716 -13.502) 13.521 10.853 ( 0.000 -0.716 13.502) 13.521 10.853 ( 0.000 0.716 13.502) 13.521 11.300 ( 0.000 -17.816 -5.050) 18.518 11.300 ( 0.000 -17.816 5.051) 18.518 11.300 ( 0.000 17.816 -5.050) 18.518 11.300 ( 0.000 17.816 5.051) 18.518 12.046 ( 0.000 -5.095 -12.474) 13.475 12.046 ( 0.000 5.095 -12.474) 13.475 12.046 ( 0.000 -5.095 12.474) 13.475 12.046 ( 0.000 5.095 12.474) 13.475 12.720 ( 0.000 -5.515 -5.212) 7.588 12.720 ( 0.000 5.515 -5.212) 7.588 12.720 ( 0.000 -5.515 5.212) 7.588 12.720 ( 0.000 5.515 5.212) 7.588 13.191 ( 0.000 -3.678 -7.254) 8.133 13.191 ( 0.000 3.678 -7.254) 8.133 13.191 ( 0.000 -3.678 7.254) 8.133 13.191 ( 0.000 3.678 7.254) 8.133 16.646 ( 0.000 -5.467 -1.779) 5.749 16.646 ( 0.000 -5.467 1.779) 5.749 16.646 ( 0.000 5.467 -1.779) 5.749 16.646 ( 0.000 5.467 1.779) 5.749 17.031 ( 0.000 -0.448 -5.034) 5.054 17.031 ( 0.000 0.448 -5.034) 5.054 17.031 ( 0.000 -0.448 5.034) 5.054 17.031 ( 0.000 0.448 5.034) 5.054 17.376 ( 0.000 -9.935 -1.322) 10.022 17.376 ( 0.000 -9.935 1.322) 10.022 17.376 ( 0.000 9.935 -1.322) 10.022 17.376 ( 0.000 9.935 1.322) 10.022 18.955 ( 0.000 -1.505 -2.775) 3.156 18.955 ( 0.000 1.505 -2.775) 3.156 18.955 ( 0.000 -1.505 2.775) 3.156 18.955 ( 0.000 1.505 2.775) 3.156 ======================= Grid point 134 (44/45) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -1.253 0.000 -8.796) 8.885 1.735 ( -1.253 0.000 8.796) 8.885 1.785 ( -2.579 0.000 -7.012) 7.472 1.785 ( -2.579 0.000 7.012) 7.472 2.033 ( 4.210 0.000 -6.653) 7.873 2.033 ( 4.210 -0.000 6.653) 7.873 2.089 ( 2.390 0.000 -5.369) 5.877 2.089 ( 2.390 0.000 5.369) 5.877 2.287 ( 3.448 0.000 -5.469) 6.466 2.287 ( 3.448 -0.000 5.469) 6.466 2.303 ( 3.657 -0.000 -11.854) 12.405 2.303 ( 3.657 0.000 11.854) 12.405 2.445 ( -9.597 0.000 -6.537) 11.611 2.445 ( -9.597 0.000 6.537) 11.611 2.457 ( -9.529 -0.000 -5.583) 11.044 2.457 ( -9.529 -0.000 5.583) 11.044 2.705 ( 2.135 0.000 -4.054) 4.582 2.705 ( 2.135 -0.000 4.054) 4.582 2.742 ( 0.297 0.000 -3.596) 3.608 2.742 ( 0.297 0.000 3.596) 3.608 2.798 ( 0.604 0.000 -3.340) 3.394 2.798 ( 0.604 -0.000 3.340) 3.394 2.827 ( 5.909 0.000 -1.895) 6.205 2.827 ( 5.909 0.000 1.895) 6.205 3.001 ( 0.512 0.000 -1.807) 1.878 3.001 ( 0.512 0.000 1.807) 1.878 3.053 ( 0.634 0.000 -2.658) 2.732 3.053 ( 0.634 -0.000 2.658) 2.732 3.141 ( -5.683 0.000 -5.845) 8.152 3.141 ( -5.683 0.000 5.845) 8.152 3.171 ( 1.149 0.000 -1.918) 2.236 3.171 ( 1.149 -0.000 1.918) 2.236 3.368 ( 4.934 0.000 -1.523) 5.164 3.368 ( 4.934 0.000 1.523) 5.164 3.388 ( -2.096 0.000 -7.331) 7.625 3.388 ( -2.096 -0.000 7.331) 7.625 3.458 ( 0.352 -0.000 -3.499) 3.517 3.458 ( 0.352 0.000 3.499) 3.517 3.561 ( 3.503 -0.000 -4.065) 5.366 3.561 ( 3.503 0.000 4.065) 5.366 3.590 ( 1.975 -0.000 -5.010) 5.385 3.590 ( 1.975 0.000 5.010) 5.385 3.686 ( 0.155 0.000 -6.545) 6.546 3.686 ( 0.155 0.000 6.545) 6.546 3.787 ( -3.667 0.000 -2.764) 4.592 3.787 ( -3.667 0.000 2.764) 4.592 3.845 ( 1.178 0.000 -0.921) 1.495 3.845 ( 1.178 -0.000 0.921) 1.495 3.978 ( -3.304 -0.000 -3.389) 4.733 3.978 ( -3.304 0.000 3.389) 4.733 4.001 ( 0.121 0.000 -4.622) 4.624 4.001 ( 0.121 0.000 4.622) 4.624 4.106 ( -4.024 0.000 -3.561) 5.373 4.106 ( -4.024 -0.000 3.561) 5.373 4.134 ( -3.039 0.000 -1.701) 3.483 4.134 ( -3.039 0.000 1.701) 3.483 4.239 ( 5.770 -0.000 -3.765) 6.890 4.239 ( 5.770 0.000 3.765) 6.890 4.271 ( 5.294 0.000 -8.199) 9.760 4.271 ( 5.294 0.000 8.199) 9.760 4.478 ( -1.909 0.000 -1.586) 2.482 4.478 ( -1.909 0.000 1.586) 2.482 4.511 ( 1.692 -0.000 -3.300) 3.708 4.511 ( 1.692 -0.000 3.300) 3.708 4.611 ( -1.823 -0.000 -4.323) 4.692 4.611 ( -1.823 0.000 4.323) 4.692 4.636 ( 0.313 0.000 -5.305) 5.315 4.636 ( 0.313 0.000 5.305) 5.315 4.733 ( -3.674 -0.000 -4.583) 5.874 4.733 ( -3.674 -0.000 4.583) 5.874 4.779 ( -0.487 0.000 -6.685) 6.702 4.779 ( -0.487 0.000 6.685) 6.702 4.930 ( 1.091 0.000 -4.423) 4.556 4.930 ( 1.091 0.000 4.423) 4.556 5.072 ( 3.494 0.000 -6.955) 7.783 5.072 ( 3.494 0.000 6.955) 7.783 5.173 ( -1.861 0.000 -2.236) 2.909 5.173 ( -1.861 -0.000 2.236) 2.909 5.219 ( 1.841 0.000 -1.763) 2.549 5.219 ( 1.841 0.000 1.763) 2.549 5.278 ( -3.545 0.000 -4.242) 5.528 5.278 ( -3.545 0.000 4.242) 5.528 5.354 ( -2.114 -0.000 -3.440) 4.038 5.354 ( -2.114 -0.000 3.440) 4.038 5.616 ( 0.099 0.000 -0.658) 0.665 5.616 ( 0.098 -0.000 0.658) 0.665 5.616 ( 0.748 -0.000 -5.668) 5.717 5.616 ( 0.748 0.000 5.668) 5.717 5.912 ( -1.827 0.000 -5.543) 5.836 5.912 ( -1.827 0.000 5.543) 5.836 5.967 ( -2.654 -0.000 -0.666) 2.736 5.967 ( -2.654 0.000 0.666) 2.736 6.301 ( 2.869 0.000 -3.911) 4.851 6.301 ( 2.869 0.000 3.911) 4.851 6.337 ( 2.208 0.000 -2.858) 3.612 6.337 ( 2.208 0.000 2.858) 3.612 7.060 ( -0.079 0.000 -1.376) 1.378 7.060 ( -0.079 0.000 1.376) 1.378 7.086 ( -0.219 0.000 -0.847) 0.875 7.086 ( -0.219 0.000 0.847) 0.875 7.281 ( 0.182 0.000 -2.312) 2.319 7.281 ( 0.182 0.000 2.312) 2.319 7.300 ( 0.169 0.000 -2.862) 2.867 7.300 ( 0.169 0.000 2.862) 2.867 8.237 ( 2.304 0.000 -1.447) 2.721 8.237 ( 2.304 0.000 1.447) 2.721 8.260 ( 2.679 -0.000 -2.814) 3.885 8.260 ( 2.679 -0.000 2.814) 3.885 8.446 ( 1.753 0.000 -5.787) 6.047 8.446 ( 1.753 0.000 5.787) 6.047 8.504 ( 2.805 0.000 -4.971) 5.708 8.504 ( 2.805 0.000 4.971) 5.708 9.013 ( -3.499 0.000 -3.012) 4.616 9.013 ( -3.499 0.000 3.012) 4.616 9.035 ( -2.787 -0.000 -2.591) 3.805 9.035 ( -2.787 -0.000 2.591) 3.805 9.339 ( 0.986 -0.000 -2.681) 2.857 9.339 ( 0.986 0.000 2.681) 2.857 9.341 ( 0.876 0.000 -2.056) 2.235 9.341 ( 0.876 -0.000 2.056) 2.235 9.601 ( -3.376 0.000 -5.671) 6.599 9.601 ( -3.376 0.000 5.671) 6.599 9.664 ( -4.181 0.000 -5.313) 6.760 9.664 ( -4.181 -0.000 5.313) 6.761 9.874 ( 0.837 -0.000 -0.879) 1.214 9.874 ( 0.837 0.000 0.879) 1.214 9.877 ( 0.313 0.000 -1.256) 1.294 9.877 ( 0.313 -0.000 1.256) 1.294 10.236 ( 0.344 -0.000 -8.109) 8.117 10.236 ( 0.344 0.000 8.109) 8.117 10.254 ( -0.031 0.000 -7.451) 7.451 10.254 ( -0.031 -0.000 7.451) 7.451 10.861 ( 2.123 0.000 -14.602) 14.756 10.861 ( 2.123 0.000 14.602) 14.756 10.916 ( 2.240 0.000 -13.149) 13.338 10.916 ( 2.240 0.000 13.149) 13.338 11.312 ( 1.217 0.000 -6.373) 6.488 11.312 ( 1.217 -0.000 6.373) 6.488 11.322 ( 1.437 0.000 -7.648) 7.782 11.322 ( 1.437 -0.000 7.648) 7.782 12.003 ( 0.904 0.000 -10.892) 10.930 12.003 ( 0.904 0.000 10.892) 10.930 12.134 ( 2.144 0.000 -11.313) 11.514 12.134 ( 2.144 0.000 11.313) 11.514 12.622 ( -1.484 0.000 -4.201) 4.455 12.622 ( -1.484 0.000 4.201) 4.455 12.818 ( 1.094 0.000 -3.751) 3.907 12.818 ( 1.094 0.000 3.751) 3.907 13.088 ( -4.030 0.000 -6.198) 7.393 13.088 ( -4.030 0.000 6.198) 7.393 13.195 ( -2.439 0.000 -3.275) 4.084 13.195 ( -2.439 0.000 3.275) 4.084 16.645 ( 0.445 0.000 -2.409) 2.449 16.645 ( 0.445 0.000 2.409) 2.449 16.662 ( 0.470 0.000 -1.375) 1.453 16.662 ( 0.470 -0.000 1.375) 1.453 17.022 ( 1.666 0.000 -5.299) 5.555 17.022 ( 1.666 0.000 5.299) 5.555 17.097 ( 2.807 0.000 -6.498) 7.079 17.097 ( 2.807 0.000 6.498) 7.079 17.312 ( -3.495 0.000 -1.546) 3.822 17.312 ( -3.495 -0.000 1.546) 3.822 17.363 ( -2.371 -0.000 -1.780) 2.965 17.363 ( -2.371 0.000 1.780) 2.965 18.959 ( 0.257 0.000 -2.505) 2.518 18.959 ( 0.257 -0.000 2.505) 2.518 18.959 ( 0.256 -0.000 -2.346) 2.359 18.959 ( 0.256 0.000 2.346) 2.359 ======================= Grid point 138 (45/45) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -1.333 0.000 -8.078) 8.187 1.741 ( 1.333 0.000 -8.078) 8.187 1.741 ( -1.333 0.000 8.078) 8.187 1.741 ( 1.333 0.000 8.078) 8.187 2.124 ( -1.782 0.000 -1.566) 2.373 2.124 ( 1.783 0.000 -1.566) 2.373 2.124 ( -1.782 0.000 1.566) 2.373 2.124 ( 1.782 0.000 1.566) 2.373 2.279 ( -1.583 -0.000 -3.593) 3.927 2.279 ( 1.583 0.000 -3.593) 3.927 2.279 ( -1.583 0.000 3.593) 3.927 2.279 ( 1.583 0.000 3.593) 3.927 2.371 ( -1.000 0.000 -4.557) 4.665 2.371 ( 1.000 0.000 -4.557) 4.665 2.371 ( -1.000 0.000 4.557) 4.665 2.371 ( 1.000 0.000 4.557) 4.665 2.727 ( -0.975 -0.000 -5.131) 5.223 2.727 ( 0.975 0.000 -5.131) 5.223 2.727 ( -0.975 0.000 5.131) 5.223 2.727 ( 0.975 0.000 5.131) 5.223 2.857 ( -3.306 0.000 -3.562) 4.859 2.857 ( 3.306 0.000 -3.562) 4.859 2.857 ( -3.306 0.000 3.562) 4.859 2.857 ( 3.306 0.000 3.562) 4.859 3.041 ( -2.153 0.000 -3.130) 3.799 3.041 ( 2.153 0.000 -3.130) 3.799 3.041 ( -2.153 0.000 3.130) 3.799 3.041 ( 2.153 0.000 3.130) 3.799 3.134 ( -4.259 0.000 -3.535) 5.535 3.134 ( 4.259 0.000 -3.535) 5.535 3.134 ( -4.259 -0.000 3.535) 5.535 3.134 ( 4.259 0.000 3.535) 5.535 3.359 ( -1.455 -0.000 -4.427) 4.660 3.359 ( 1.455 0.000 -4.427) 4.660 3.359 ( -1.455 0.000 4.427) 4.660 3.359 ( 1.455 0.000 4.427) 4.660 3.544 ( -3.470 0.000 -2.424) 4.233 3.544 ( 3.470 0.000 -2.424) 4.233 3.544 ( -3.470 0.000 2.424) 4.233 3.544 ( 3.470 0.000 2.424) 4.233 3.661 ( -2.160 0.000 -4.336) 4.845 3.661 ( 2.160 0.000 -4.336) 4.845 3.661 ( -2.160 -0.000 4.336) 4.845 3.661 ( 2.160 0.000 4.336) 4.845 3.846 ( -6.519 0.000 -1.347) 6.656 3.846 ( -6.519 0.000 1.347) 6.656 3.846 ( 6.519 0.000 -1.347) 6.656 3.846 ( 6.519 0.000 1.347) 6.656 3.936 ( -5.771 0.000 -0.721) 5.816 3.936 ( -5.771 0.000 0.721) 5.816 3.936 ( 5.771 0.000 -0.721) 5.816 3.936 ( 5.771 0.000 0.721) 5.816 4.042 ( -2.390 -0.000 -5.369) 5.877 4.042 ( 2.390 0.000 -5.369) 5.877 4.042 ( -2.390 0.000 5.369) 5.877 4.042 ( 2.390 0.000 5.369) 5.877 4.372 ( -0.159 0.000 -0.692) 0.710 4.372 ( 0.159 0.000 -0.692) 0.710 4.372 ( -0.159 0.000 0.692) 0.710 4.372 ( 0.159 0.000 0.692) 0.710 4.474 ( -3.584 0.000 -1.319) 3.819 4.474 ( 3.584 0.000 -1.319) 3.818 4.474 ( -3.584 0.000 1.319) 3.818 4.474 ( 3.584 0.000 1.319) 3.818 4.630 ( -0.361 0.000 -2.475) 2.502 4.630 ( 0.361 0.000 -2.475) 2.502 4.630 ( -0.361 0.000 2.475) 2.502 4.630 ( 0.361 0.000 2.475) 2.502 4.732 ( -5.235 -0.000 -7.413) 9.075 4.732 ( 5.235 -0.000 -7.413) 9.075 4.732 ( -5.235 0.000 7.413) 9.075 4.732 ( 5.235 0.000 7.413) 9.075 4.970 ( -4.146 0.000 -5.261) 6.698 4.970 ( 4.146 0.000 -5.261) 6.698 4.970 ( -4.146 0.000 5.261) 6.698 4.970 ( 4.146 0.000 5.261) 6.698 5.230 ( -2.533 0.000 -2.583) 3.618 5.230 ( 2.533 0.000 -2.583) 3.618 5.230 ( -2.533 0.000 2.583) 3.618 5.230 ( 2.533 0.000 2.583) 3.618 5.287 ( -2.706 0.000 -4.142) 4.948 5.287 ( 2.706 0.000 -4.142) 4.948 5.287 ( -2.706 0.000 4.142) 4.948 5.287 ( 2.706 0.000 4.142) 4.948 5.614 ( -0.324 0.000 -4.568) 4.579 5.614 ( 0.324 0.000 -4.568) 4.579 5.614 ( -0.324 0.000 4.568) 4.579 5.614 ( 0.324 0.000 4.568) 4.579 5.921 ( -1.657 0.000 -3.674) 4.030 5.921 ( 1.657 0.000 -3.674) 4.030 5.921 ( -1.657 0.000 3.674) 4.030 5.921 ( 1.657 0.000 3.674) 4.030 6.349 ( -1.064 0.000 -2.748) 2.947 6.349 ( 1.064 0.000 -2.748) 2.947 6.349 ( -1.064 0.000 2.748) 2.947 6.349 ( 1.064 0.000 2.748) 2.947 7.070 ( -0.879 0.000 -0.924) 1.275 7.070 ( 0.879 0.000 -0.924) 1.275 7.070 ( -0.879 0.000 0.924) 1.275 7.070 ( 0.879 0.000 0.924) 1.275 7.294 ( -0.647 0.000 -3.169) 3.235 7.294 ( 0.647 0.000 -3.169) 3.235 7.294 ( -0.647 0.000 3.169) 3.235 7.294 ( 0.647 0.000 3.169) 3.235 8.276 ( -0.948 0.000 -1.832) 2.062 8.276 ( 0.948 0.000 -1.832) 2.062 8.276 ( -0.948 0.000 1.832) 2.062 8.276 ( 0.948 0.000 1.832) 2.062 8.519 ( -2.676 0.000 -5.831) 6.416 8.519 ( 2.676 0.000 -5.831) 6.416 8.519 ( -2.676 0.000 5.831) 6.416 8.519 ( 2.676 0.000 5.831) 6.416 8.973 ( -1.294 0.000 -2.701) 2.995 8.973 ( 1.294 0.000 -2.701) 2.995 8.973 ( -1.294 0.000 2.701) 2.995 8.973 ( 1.294 0.000 2.701) 2.995 9.354 ( -0.028 0.000 -2.959) 2.960 9.354 ( 0.028 0.000 -2.959) 2.960 9.354 ( -0.028 0.000 2.959) 2.960 9.354 ( 0.028 0.000 2.959) 2.960 9.586 ( -1.995 0.000 -6.522) 6.820 9.586 ( 1.995 0.000 -6.522) 6.820 9.586 ( -1.995 0.000 6.522) 6.820 9.586 ( 1.995 0.000 6.522) 6.820 9.879 ( -0.067 0.000 -0.345) 0.351 9.879 ( 0.067 0.000 -0.345) 0.351 9.879 ( -0.067 0.000 0.345) 0.351 9.879 ( 0.067 0.000 0.345) 0.351 10.249 ( -0.464 0.000 -7.061) 7.076 10.249 ( 0.464 0.000 -7.061) 7.076 10.249 ( -0.464 0.000 7.061) 7.076 10.249 ( 0.464 0.000 7.061) 7.076 10.914 ( -2.043 0.000 -13.945) 14.094 10.914 ( 2.043 0.000 -13.945) 14.094 10.914 ( -2.043 0.000 13.945) 14.094 10.914 ( 2.043 0.000 13.945) 14.094 11.336 ( -0.480 0.000 -9.422) 9.434 11.336 ( 0.480 0.000 -9.422) 9.434 11.336 ( -0.480 0.000 9.422) 9.434 11.336 ( 0.480 0.000 9.422) 9.434 12.085 ( -5.302 0.000 -7.358) 9.070 12.085 ( 5.302 0.000 -7.358) 9.070 12.085 ( -5.302 0.000 7.358) 9.070 12.085 ( 5.302 0.000 7.358) 9.070 12.708 ( -8.008 0.000 -7.881) 11.235 12.708 ( 8.008 0.000 -7.881) 11.235 12.708 ( -8.008 0.000 7.881) 11.235 12.708 ( 8.008 0.000 7.881) 11.235 13.111 ( -4.326 0.000 -0.901) 4.419 13.111 ( -4.326 0.000 0.901) 4.419 13.111 ( 4.326 0.000 -0.901) 4.419 13.111 ( 4.326 0.000 0.901) 4.419 16.659 ( -0.625 0.000 -2.221) 2.307 16.659 ( 0.625 0.000 -2.221) 2.307 16.659 ( -0.625 0.000 2.221) 2.307 16.659 ( 0.625 0.000 2.221) 2.307 17.091 ( -3.470 0.000 -6.637) 7.489 17.091 ( 3.470 0.000 -6.637) 7.489 17.091 ( -3.470 0.000 6.637) 7.489 17.091 ( 3.470 0.000 6.637) 7.489 17.297 ( -2.584 0.000 -2.073) 3.313 17.297 ( 2.584 0.000 -2.073) 3.313 17.297 ( -2.584 0.000 2.073) 3.313 17.297 ( 2.584 0.000 2.073) 3.313 18.962 ( -0.005 0.000 -2.045) 2.045 18.962 ( 0.005 0.000 -2.045) 2.045 18.962 ( -0.005 0.000 2.045) 2.045 18.962 ( 0.005 0.000 2.045) 2.045 =================== 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 3/21504 10.0 664.857 877.601 1238.757 0.000 0.000 0.000 3/21504 20.0 100.589 146.959 138.464 0.000 0.000 0.000 3/21504 30.0 36.260 56.803 46.256 0.000 0.000 0.000 3/21504 40.0 19.728 31.219 24.228 0.000 0.000 0.000 3/21504 50.0 13.020 20.548 15.663 0.000 0.000 0.000 3/21504 60.0 9.553 15.001 11.357 0.000 0.000 0.000 3/21504 70.0 7.477 11.684 8.826 0.000 0.000 0.000 3/21504 80.0 6.110 9.506 7.182 0.000 0.000 0.000 3/21504 90.0 5.149 7.981 6.036 0.000 0.000 0.000 3/21504 100.0 4.441 6.861 5.197 0.000 0.000 0.000 3/21504 110.0 3.899 6.009 4.559 0.000 0.000 0.000 3/21504 120.0 3.474 5.341 4.058 0.000 0.000 0.000 3/21504 130.0 3.131 4.805 3.656 0.000 0.000 0.000 3/21504 140.0 2.851 4.366 3.326 0.000 0.000 0.000 3/21504 150.0 2.616 4.001 3.052 0.000 0.000 0.000 3/21504 160.0 2.418 3.693 2.819 0.000 0.000 0.000 3/21504 170.0 2.248 3.429 2.620 0.000 0.000 0.000 3/21504 180.0 2.101 3.202 2.448 0.000 0.000 0.000 3/21504 190.0 1.973 3.003 2.297 0.000 0.000 0.000 3/21504 200.0 1.859 2.828 2.164 0.000 0.000 0.000 3/21504 210.0 1.759 2.673 2.046 0.000 0.000 0.000 3/21504 220.0 1.669 2.534 1.940 0.000 0.000 0.000 3/21504 230.0 1.588 2.410 1.845 0.000 0.000 0.000 3/21504 240.0 1.514 2.297 1.759 0.000 0.000 0.000 3/21504 250.0 1.448 2.195 1.681 0.000 0.000 0.000 3/21504 260.0 1.387 2.102 1.610 0.000 0.000 0.000 3/21504 270.0 1.331 2.016 1.545 0.000 0.000 0.000 3/21504 280.0 1.280 1.938 1.485 0.000 0.000 0.000 3/21504 290.0 1.233 1.865 1.429 0.000 0.000 0.000 3/21504 300.0 1.189 1.798 1.378 0.000 0.000 0.000 3/21504 310.0 1.148 1.736 1.330 0.000 0.000 0.000 3/21504 320.0 1.110 1.678 1.285 0.000 0.000 0.000 3/21504 330.0 1.074 1.623 1.244 0.000 0.000 0.000 3/21504 340.0 1.041 1.573 1.205 0.000 0.000 0.000 3/21504 350.0 1.010 1.525 1.168 0.000 0.000 0.000 3/21504 360.0 0.980 1.480 1.134 0.000 0.000 0.000 3/21504 370.0 0.952 1.438 1.102 0.000 0.000 0.000 3/21504 380.0 0.926 1.398 1.071 0.000 0.000 0.000 3/21504 390.0 0.902 1.361 1.042 0.000 0.000 0.000 3/21504 400.0 0.878 1.325 1.015 0.000 0.000 0.000 3/21504 410.0 0.856 1.291 0.989 0.000 0.000 0.000 3/21504 420.0 0.835 1.259 0.965 0.000 0.000 0.000 3/21504 430.0 0.815 1.229 0.941 0.000 0.000 0.000 3/21504 440.0 0.796 1.200 0.919 0.000 0.000 0.000 3/21504 450.0 0.778 1.172 0.898 0.000 0.000 0.000 3/21504 460.0 0.760 1.146 0.878 0.000 0.000 0.000 3/21504 470.0 0.744 1.121 0.858 0.000 0.000 0.000 3/21504 480.0 0.728 1.097 0.840 0.000 0.000 0.000 3/21504 490.0 0.712 1.074 0.822 0.000 0.000 0.000 3/21504 500.0 0.698 1.051 0.805 0.000 0.000 0.000 3/21504 510.0 0.684 1.030 0.789 0.000 0.000 0.000 3/21504 520.0 0.670 1.010 0.773 0.000 0.000 0.000 3/21504 530.0 0.657 0.990 0.758 0.000 0.000 0.000 3/21504 540.0 0.645 0.972 0.744 0.000 0.000 0.000 3/21504 550.0 0.633 0.953 0.730 0.000 0.000 0.000 3/21504 560.0 0.622 0.936 0.717 0.000 0.000 0.000 3/21504 570.0 0.610 0.919 0.704 0.000 0.000 0.000 3/21504 580.0 0.600 0.903 0.691 0.000 0.000 0.000 3/21504 590.0 0.589 0.887 0.679 0.000 0.000 0.000 3/21504 600.0 0.579 0.872 0.668 0.000 0.000 0.000 3/21504 610.0 0.570 0.858 0.657 0.000 0.000 0.000 3/21504 620.0 0.560 0.844 0.646 0.000 0.000 0.000 3/21504 630.0 0.551 0.830 0.635 0.000 0.000 0.000 3/21504 640.0 0.543 0.817 0.625 0.000 0.000 0.000 3/21504 650.0 0.534 0.804 0.616 0.000 0.000 0.000 3/21504 660.0 0.526 0.792 0.606 0.000 0.000 0.000 3/21504 670.0 0.518 0.780 0.597 0.000 0.000 0.000 3/21504 680.0 0.510 0.768 0.588 0.000 0.000 0.000 3/21504 690.0 0.503 0.757 0.579 0.000 0.000 0.000 3/21504 700.0 0.496 0.746 0.571 0.000 0.000 0.000 3/21504 710.0 0.489 0.735 0.563 0.000 0.000 0.000 3/21504 720.0 0.482 0.725 0.555 0.000 0.000 0.000 3/21504 730.0 0.475 0.715 0.547 0.000 0.000 0.000 3/21504 740.0 0.469 0.705 0.540 0.000 0.000 0.000 3/21504 750.0 0.462 0.695 0.532 0.000 0.000 0.000 3/21504 760.0 0.456 0.686 0.525 0.000 0.000 0.000 3/21504 770.0 0.450 0.677 0.518 0.000 0.000 0.000 3/21504 780.0 0.444 0.668 0.512 0.000 0.000 0.000 3/21504 790.0 0.439 0.660 0.505 0.000 0.000 0.000 3/21504 800.0 0.433 0.651 0.499 0.000 0.000 0.000 3/21504 810.0 0.428 0.643 0.492 0.000 0.000 0.000 3/21504 820.0 0.422 0.635 0.486 0.000 0.000 0.000 3/21504 830.0 0.417 0.628 0.480 0.000 0.000 0.000 3/21504 840.0 0.412 0.620 0.475 0.000 0.000 0.000 3/21504 850.0 0.407 0.613 0.469 0.000 0.000 0.000 3/21504 860.0 0.403 0.605 0.463 0.000 0.000 0.000 3/21504 870.0 0.398 0.598 0.458 0.000 0.000 0.000 3/21504 880.0 0.393 0.592 0.453 0.000 0.000 0.000 3/21504 890.0 0.389 0.585 0.448 0.000 0.000 0.000 3/21504 900.0 0.385 0.578 0.443 0.000 0.000 0.000 3/21504 910.0 0.380 0.572 0.438 0.000 0.000 0.000 3/21504 920.0 0.376 0.566 0.433 0.000 0.000 0.000 3/21504 930.0 0.372 0.560 0.428 0.000 0.000 0.000 3/21504 940.0 0.368 0.554 0.424 0.000 0.000 0.000 3/21504 950.0 0.364 0.548 0.419 0.000 0.000 0.000 3/21504 960.0 0.360 0.542 0.415 0.000 0.000 0.000 3/21504 970.0 0.357 0.536 0.410 0.000 0.000 0.000 3/21504 980.0 0.353 0.531 0.406 0.000 0.000 0.000 3/21504 990.0 0.349 0.525 0.402 0.000 0.000 0.000 3/21504 1000.0 0.346 0.520 0.398 0.000 0.000 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m484.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:22:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|