# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/6f436636-7a0c-4f25-a330-9b206750f537/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Na2Al2As3 / P2_1/c (14) / materials id 17473](https://mdr.nims.go.jp/datasets/27763599-bf3e-47cc-863f-7858ab8ce173) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 03:22:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 8------------------------------ primitive cell ------------------------------Lattice vectors: a 13.051544656462390 0.000000000000000 0.000000000000000 b 0.000000000000000 6.656762560000000 0.000000000000000 c -0.026095133062974 0.000000000000000 14.375256898935755Atomic positions (fractional): *1 Na 0.13760940604448 0.94820837501982 0.01067166574230 22.990 2 Na 0.86239059395552 0.44820837501981 0.48932833425770 22.990 3 Na 0.86239059395552 0.05179162498018 0.98932833425770 22.990 4 Na 0.13760940604448 0.55179162498018 0.51067166574230 22.990 *5 Na 0.65130062046121 0.58327195409829 0.97909392177014 22.990 6 Na 0.34869937953879 0.08327195409829 0.52090607822986 22.990 7 Na 0.34869937953879 0.41672804590171 0.02090607822986 22.990 8 Na 0.65130062046121 0.91672804590171 0.47909392177014 22.990 *9 Na 0.91579517789195 0.55020629436782 0.89310524284131 22.990 10 Na 0.08420482210805 0.05020629436782 0.60689475715869 22.990 11 Na 0.08420482210805 0.44979370563218 0.10689475715869 22.990 12 Na 0.91579517789195 0.94979370563218 0.39310524284131 22.990 *13 Na 0.43467761428191 0.90344858539817 0.08538462416644 22.990 14 Na 0.56532238571809 0.40344858539817 0.41461537583356 22.990 15 Na 0.56532238571809 0.09655141460183 0.91461537583356 22.990 16 Na 0.43467761428191 0.59655141460183 0.58538462416644 22.990 *17 Al 0.68410355887467 0.28337250107315 0.16450920423128 26.982 18 Al 0.31589644112533 0.78337250107315 0.33549079576872 26.982 19 Al 0.31589644112533 0.71662749892685 0.83549079576872 26.982 20 Al 0.68410355887467 0.21662749892685 0.66450920423128 26.982 *21 Al 0.09458494509655 0.79067466145626 0.27034625386783 26.982 22 Al 0.90541505490345 0.29067466145626 0.22965374613217 26.982 23 Al 0.90541505490345 0.20932533854374 0.72965374613217 26.982 24 Al 0.09458494509655 0.70932533854374 0.77034625386783 26.982 *25 Al 0.81226489900187 0.75833549820851 0.17173988359960 26.982 26 Al 0.18773510099813 0.25833549820851 0.32826011640040 26.982 27 Al 0.18773510099813 0.24166450179149 0.82826011640040 26.982 28 Al 0.81226489900187 0.74166450179149 0.67173988359960 26.982 *29 Al 0.58972771507884 0.76010706661668 0.24056452117892 26.982 30 Al 0.41027228492116 0.26010706661668 0.25943547882108 26.982 31 Al 0.41027228492116 0.23989293338332 0.75943547882108 26.982 32 Al 0.58972771507884 0.73989293338332 0.74056452117892 26.982 *33 As 0.96887205343962 0.96561499749179 0.17173165801045 74.922 34 As 0.03112794656038 0.46561499749179 0.32826834198955 74.922 35 As 0.03112794656038 0.03438500250821 0.82826834198955 74.922 36 As 0.96887205343962 0.53438500250821 0.67173165801045 74.922 *37 As 0.83906939986768 0.44727485494890 0.08463131665753 74.922 38 As 0.16093060013232 0.94727485494890 0.41536868334247 74.922 39 As 0.16093060013232 0.55272514505110 0.91536868334247 74.922 40 As 0.83906939986768 0.05272514505110 0.58463131665753 74.922 *41 As 0.66135864653435 0.94423651297475 0.10298188455693 74.922 42 As 0.33864135346565 0.44423651297475 0.39701811544307 74.922 43 As 0.33864135346565 0.05576348702525 0.89701811544307 74.922 44 As 0.66135864653435 0.55576348702525 0.60298188455693 74.922 *45 As 0.74792240593983 0.84375404296711 0.82969935447108 74.922 46 As 0.25207759406017 0.34375404296711 0.67030064552892 74.922 47 As 0.25207759406017 0.15624595703289 0.17030064552892 74.922 48 As 0.74792240593983 0.65624595703289 0.32969935447108 74.922 *49 As 0.51983597322162 0.46662124513552 0.15629316869911 74.922 50 As 0.48016402677838 0.96662124513552 0.34370683130090 74.922 51 As 0.48016402677838 0.53337875486448 0.84370683130089 74.922 52 As 0.51983597322162 0.03337875486448 0.65629316869911 74.922 *53 As 0.74834544717523 0.22095853063914 0.82558996400902 74.922 54 As 0.25165455282477 0.72095853063914 0.67441003599098 74.922 55 As 0.25165455282477 0.77904146936086 0.17441003599098 74.922 56 As 0.74834544717523 0.27904146936086 0.32558996400902 74.922-------------------------------- unit cell ---------------------------------Lattice vectors: a 13.051544656462390 0.000000000000000 0.000000000000000 b 0.000000000000000 6.656762560000000 0.000000000000000 c -0.026095133062974 0.000000000000000 14.375256898935755Atomic positions (fractional): *1 Na 0.13760940604448 0.94820837501982 0.01067166574230 22.990 > 1 2 Na 0.86239059395552 0.44820837501981 0.48932833425770 22.990 > 2 3 Na 0.86239059395552 0.05179162498018 0.98932833425770 22.990 > 3 4 Na 0.13760940604448 0.55179162498018 0.51067166574230 22.990 > 4 *5 Na 0.65130062046121 0.58327195409829 0.97909392177014 22.990 > 5 6 Na 0.34869937953879 0.08327195409829 0.52090607822986 22.990 > 6 7 Na 0.34869937953879 0.41672804590171 0.02090607822986 22.990 > 7 8 Na 0.65130062046121 0.91672804590171 0.47909392177014 22.990 > 8 *9 Na 0.91579517789195 0.55020629436782 0.89310524284131 22.990 > 9 10 Na 0.08420482210805 0.05020629436782 0.60689475715869 22.990 > 10 11 Na 0.08420482210805 0.44979370563218 0.10689475715869 22.990 > 11 12 Na 0.91579517789195 0.94979370563218 0.39310524284131 22.990 > 12 *13 Na 0.43467761428191 0.90344858539817 0.08538462416644 22.990 > 13 14 Na 0.56532238571809 0.40344858539817 0.41461537583356 22.990 > 14 15 Na 0.56532238571809 0.09655141460183 0.91461537583356 22.990 > 15 16 Na 0.43467761428191 0.59655141460183 0.58538462416644 22.990 > 16 *17 Al 0.68410355887467 0.28337250107315 0.16450920423128 26.982 > 17 18 Al 0.31589644112533 0.78337250107315 0.33549079576872 26.982 > 18 19 Al 0.31589644112533 0.71662749892685 0.83549079576872 26.982 > 19 20 Al 0.68410355887467 0.21662749892685 0.66450920423128 26.982 > 20 *21 Al 0.09458494509655 0.79067466145626 0.27034625386783 26.982 > 21 22 Al 0.90541505490345 0.29067466145626 0.22965374613217 26.982 > 22 23 Al 0.90541505490345 0.20932533854374 0.72965374613217 26.982 > 23 24 Al 0.09458494509655 0.70932533854374 0.77034625386783 26.982 > 24 *25 Al 0.81226489900187 0.75833549820851 0.17173988359960 26.982 > 25 26 Al 0.18773510099813 0.25833549820851 0.32826011640040 26.982 > 26 27 Al 0.18773510099813 0.24166450179149 0.82826011640040 26.982 > 27 28 Al 0.81226489900187 0.74166450179149 0.67173988359960 26.982 > 28 *29 Al 0.58972771507884 0.76010706661668 0.24056452117892 26.982 > 29 30 Al 0.41027228492116 0.26010706661668 0.25943547882108 26.982 > 30 31 Al 0.41027228492116 0.23989293338332 0.75943547882108 26.982 > 31 32 Al 0.58972771507884 0.73989293338332 0.74056452117892 26.982 > 32 *33 As 0.96887205343962 0.96561499749179 0.17173165801045 74.922 > 33 34 As 0.03112794656038 0.46561499749179 0.32826834198955 74.922 > 34 35 As 0.03112794656038 0.03438500250821 0.82826834198955 74.922 > 35 36 As 0.96887205343962 0.53438500250821 0.67173165801045 74.922 > 36 *37 As 0.83906939986768 0.44727485494890 0.08463131665753 74.922 > 37 38 As 0.16093060013232 0.94727485494890 0.41536868334247 74.922 > 38 39 As 0.16093060013232 0.55272514505110 0.91536868334247 74.922 > 39 40 As 0.83906939986768 0.05272514505110 0.58463131665753 74.922 > 40 *41 As 0.66135864653435 0.94423651297475 0.10298188455693 74.922 > 41 42 As 0.33864135346565 0.44423651297475 0.39701811544307 74.922 > 42 43 As 0.33864135346565 0.05576348702525 0.89701811544307 74.922 > 43 44 As 0.66135864653435 0.55576348702525 0.60298188455693 74.922 > 44 *45 As 0.74792240593983 0.84375404296711 0.82969935447108 74.922 > 45 46 As 0.25207759406017 0.34375404296711 0.67030064552892 74.922 > 46 47 As 0.25207759406017 0.15624595703289 0.17030064552892 74.922 > 47 48 As 0.74792240593983 0.65624595703289 0.32969935447108 74.922 > 48 *49 As 0.51983597322162 0.46662124513552 0.15629316869911 74.922 > 49 50 As 0.48016402677838 0.96662124513552 0.34370683130090 74.922 > 50 51 As 0.48016402677838 0.53337875486448 0.84370683130089 74.922 > 51 52 As 0.51983597322162 0.03337875486448 0.65629316869911 74.922 > 52 *53 As 0.74834544717523 0.22095853063914 0.82558996400902 74.922 > 53 54 As 0.25165455282477 0.72095853063914 0.67441003599098 74.922 > 54 55 As 0.25165455282477 0.77904146936086 0.17441003599098 74.922 > 55 56 As 0.74834544717523 0.27904146936086 0.32558996400902 74.922 > 56-------------------------------- super cell --------------------------------Lattice vectors: a 13.051544656462390 0.000000000000000 0.000000000000000 b 0.000000000000000 13.313525120000000 0.000000000000000 c -0.026095133062974 0.000000000000000 14.375256898935755Atomic positions (fractional): *1 Na 0.13760940604448 0.47410418750991 0.01067166574230 22.990 > 1 2 Na 0.13760940604448 0.97410418750991 0.01067166574230 22.990 > 1 3 Na 0.86239059395552 0.22410418750991 0.48932833425770 22.990 > 2 4 Na 0.86239059395552 0.72410418750991 0.48932833425770 22.990 > 2 5 Na 0.86239059395552 0.02589581249009 0.98932833425770 22.990 > 3 6 Na 0.86239059395552 0.52589581249009 0.98932833425770 22.990 > 3 7 Na 0.13760940604448 0.27589581249009 0.51067166574230 22.990 > 4 8 Na 0.13760940604448 0.77589581249009 0.51067166574230 22.990 > 4 *9 Na 0.65130062046121 0.29163597704914 0.97909392177014 22.990 > 5 10 Na 0.65130062046121 0.79163597704914 0.97909392177014 22.990 > 5 11 Na 0.34869937953879 0.04163597704914 0.52090607822986 22.990 > 6 12 Na 0.34869937953879 0.54163597704914 0.52090607822986 22.990 > 6 13 Na 0.34869937953879 0.20836402295086 0.02090607822986 22.990 > 7 14 Na 0.34869937953879 0.70836402295086 0.02090607822986 22.990 > 7 15 Na 0.65130062046121 0.45836402295086 0.47909392177014 22.990 > 8 16 Na 0.65130062046121 0.95836402295086 0.47909392177014 22.990 > 8 *17 Na 0.91579517789195 0.27510314718391 0.89310524284131 22.990 > 9 18 Na 0.91579517789195 0.77510314718391 0.89310524284131 22.990 > 9 19 Na 0.08420482210805 0.02510314718391 0.60689475715869 22.990 > 10 20 Na 0.08420482210805 0.52510314718391 0.60689475715869 22.990 > 10 21 Na 0.08420482210805 0.22489685281609 0.10689475715869 22.990 > 11 22 Na 0.08420482210805 0.72489685281609 0.10689475715869 22.990 > 11 23 Na 0.91579517789195 0.47489685281609 0.39310524284131 22.990 > 12 24 Na 0.91579517789195 0.97489685281609 0.39310524284131 22.990 > 12 *25 Na 0.43467761428191 0.45172429269908 0.08538462416644 22.990 > 13 26 Na 0.43467761428191 0.95172429269908 0.08538462416644 22.990 > 13 27 Na 0.56532238571809 0.20172429269908 0.41461537583356 22.990 > 14 28 Na 0.56532238571809 0.70172429269908 0.41461537583356 22.990 > 14 29 Na 0.56532238571809 0.04827570730092 0.91461537583356 22.990 > 15 30 Na 0.56532238571809 0.54827570730092 0.91461537583356 22.990 > 15 31 Na 0.43467761428191 0.29827570730092 0.58538462416644 22.990 > 16 32 Na 0.43467761428191 0.79827570730092 0.58538462416644 22.990 > 16 *33 Al 0.68410355887467 0.14168625053658 0.16450920423128 26.982 > 17 34 Al 0.68410355887467 0.64168625053658 0.16450920423128 26.982 > 17 35 Al 0.31589644112533 0.39168625053658 0.33549079576872 26.982 > 18 36 Al 0.31589644112533 0.89168625053658 0.33549079576872 26.982 > 18 37 Al 0.31589644112533 0.35831374946342 0.83549079576872 26.982 > 19 38 Al 0.31589644112533 0.85831374946342 0.83549079576872 26.982 > 19 39 Al 0.68410355887467 0.10831374946342 0.66450920423128 26.982 > 20 40 Al 0.68410355887467 0.60831374946342 0.66450920423128 26.982 > 20 *41 Al 0.09458494509655 0.39533733072813 0.27034625386783 26.982 > 21 42 Al 0.09458494509655 0.89533733072813 0.27034625386783 26.982 > 21 43 Al 0.90541505490345 0.14533733072813 0.22965374613217 26.982 > 22 44 Al 0.90541505490345 0.64533733072813 0.22965374613217 26.982 > 22 45 Al 0.90541505490345 0.10466266927187 0.72965374613217 26.982 > 23 46 Al 0.90541505490345 0.60466266927187 0.72965374613217 26.982 > 23 47 Al 0.09458494509655 0.35466266927187 0.77034625386783 26.982 > 24 48 Al 0.09458494509655 0.85466266927187 0.77034625386783 26.982 > 24 *49 Al 0.81226489900187 0.37916774910425 0.17173988359960 26.982 > 25 50 Al 0.81226489900187 0.87916774910425 0.17173988359960 26.982 > 25 51 Al 0.18773510099813 0.12916774910425 0.32826011640040 26.982 > 26 52 Al 0.18773510099813 0.62916774910425 0.32826011640040 26.982 > 26 53 Al 0.18773510099813 0.12083225089575 0.82826011640040 26.982 > 27 54 Al 0.18773510099813 0.62083225089575 0.82826011640040 26.982 > 27 55 Al 0.81226489900187 0.37083225089575 0.67173988359960 26.982 > 28 56 Al 0.81226489900187 0.87083225089575 0.67173988359960 26.982 > 28 *57 Al 0.58972771507884 0.38005353330834 0.24056452117892 26.982 > 29 58 Al 0.58972771507884 0.88005353330834 0.24056452117892 26.982 > 29 59 Al 0.41027228492116 0.13005353330834 0.25943547882108 26.982 > 30 60 Al 0.41027228492116 0.63005353330834 0.25943547882108 26.982 > 30 61 Al 0.41027228492116 0.11994646669166 0.75943547882108 26.982 > 31 62 Al 0.41027228492116 0.61994646669166 0.75943547882108 26.982 > 31 63 Al 0.58972771507884 0.36994646669166 0.74056452117892 26.982 > 32 64 Al 0.58972771507884 0.86994646669166 0.74056452117892 26.982 > 32 *65 As 0.96887205343962 0.48280749874590 0.17173165801045 74.922 > 33 66 As 0.96887205343962 0.98280749874590 0.17173165801045 74.922 > 33 67 As 0.03112794656038 0.23280749874589 0.32826834198955 74.922 > 34 68 As 0.03112794656038 0.73280749874590 0.32826834198955 74.922 > 34 69 As 0.03112794656038 0.01719250125410 0.82826834198955 74.922 > 35 70 As 0.03112794656038 0.51719250125410 0.82826834198955 74.922 > 35 71 As 0.96887205343962 0.26719250125410 0.67173165801045 74.922 > 36 72 As 0.96887205343962 0.76719250125410 0.67173165801045 74.922 > 36 *73 As 0.83906939986768 0.22363742747445 0.08463131665753 74.922 > 37 74 As 0.83906939986768 0.72363742747445 0.08463131665753 74.922 > 37 75 As 0.16093060013232 0.47363742747445 0.41536868334247 74.922 > 38 76 As 0.16093060013232 0.97363742747445 0.41536868334247 74.922 > 38 77 As 0.16093060013232 0.27636257252555 0.91536868334247 74.922 > 39 78 As 0.16093060013232 0.77636257252555 0.91536868334247 74.922 > 39 79 As 0.83906939986768 0.02636257252555 0.58463131665753 74.922 > 40 80 As 0.83906939986768 0.52636257252555 0.58463131665753 74.922 > 40 *81 As 0.66135864653435 0.47211825648738 0.10298188455693 74.922 > 41 82 As 0.66135864653435 0.97211825648738 0.10298188455693 74.922 > 41 83 As 0.33864135346565 0.22211825648738 0.39701811544307 74.922 > 42 84 As 0.33864135346565 0.72211825648738 0.39701811544307 74.922 > 42 85 As 0.33864135346565 0.02788174351262 0.89701811544307 74.922 > 43 86 As 0.33864135346565 0.52788174351262 0.89701811544307 74.922 > 43 87 As 0.66135864653435 0.27788174351262 0.60298188455693 74.922 > 44 88 As 0.66135864653435 0.77788174351262 0.60298188455693 74.922 > 44 *89 As 0.74792240593983 0.42187702148356 0.82969935447108 74.922 > 45 90 As 0.74792240593983 0.92187702148356 0.82969935447108 74.922 > 45 91 As 0.25207759406017 0.17187702148356 0.67030064552892 74.922 > 46 92 As 0.25207759406017 0.67187702148356 0.67030064552892 74.922 > 46 93 As 0.25207759406017 0.07812297851644 0.17030064552892 74.922 > 47 94 As 0.25207759406017 0.57812297851644 0.17030064552892 74.922 > 47 95 As 0.74792240593983 0.32812297851644 0.32969935447108 74.922 > 48 96 As 0.74792240593983 0.82812297851644 0.32969935447108 74.922 > 48 *97 As 0.51983597322162 0.23331062256776 0.15629316869911 74.922 > 49 98 As 0.51983597322162 0.73331062256776 0.15629316869911 74.922 > 49 99 As 0.48016402677838 0.48331062256776 0.34370683130090 74.922 > 50 100 As 0.48016402677838 0.98331062256776 0.34370683130090 74.922 > 50 101 As 0.48016402677838 0.26668937743224 0.84370683130089 74.922 > 51 102 As 0.48016402677838 0.76668937743224 0.84370683130089 74.922 > 51 103 As 0.51983597322162 0.01668937743224 0.65629316869911 74.922 > 52 104 As 0.51983597322162 0.51668937743224 0.65629316869911 74.922 > 52 *105 As 0.74834544717523 0.11047926531957 0.82558996400902 74.922 > 53 106 As 0.74834544717523 0.61047926531957 0.82558996400902 74.922 > 53 107 As 0.25165455282477 0.36047926531957 0.67441003599098 74.922 > 54 108 As 0.25165455282477 0.86047926531957 0.67441003599098 74.922 > 54 109 As 0.25165455282477 0.38952073468043 0.17441003599098 74.922 > 55 110 As 0.25165455282477 0.88952073468043 0.17441003599098 74.922 > 55 111 As 0.74834544717523 0.13952073468043 0.32558996400902 74.922 > 56 112 As 0.74834544717523 0.63952073468043 0.32558996400902 74.922 > 56----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.2712259 0.0000000 -0.0444206 0.0000000 10.7587101 0.0000000 -0.0443686 0.0000000 8.3359354-------------------------- Born effective charges -------------------------- 1 Na 1.0968517 -0.0013822 -0.0596176 0.0655921 0.9352975 0.0523884 -0.0730455 0.1121592 1.9609525 2 Na 1.0968517 0.0013822 -0.0596176 -0.0655921 0.9352975 -0.0523884 -0.0730455 -0.1121592 1.9609525 3 Na 1.0968517 -0.0013822 -0.0596176 0.0655921 0.9352975 0.0523884 -0.0730455 0.1121592 1.9609525 4 Na 1.0968517 0.0013822 -0.0596176 -0.0655921 0.9352975 -0.0523884 -0.0730455 -0.1121592 1.9609525 5 Na 1.0403800 0.0398278 0.0767179 0.0186056 1.1181079 -0.0312012 0.0935288 0.0434938 1.9710732 6 Na 1.0403800 -0.0398278 0.0767179 -0.0186056 1.1181079 0.0312012 0.0935288 -0.0434938 1.9710732 7 Na 1.0403800 0.0398278 0.0767179 0.0186056 1.1181079 -0.0312012 0.0935288 0.0434938 1.9710732 8 Na 1.0403800 -0.0398278 0.0767179 -0.0186056 1.1181079 0.0312012 0.0935288 -0.0434938 1.9710732 9 Na 1.4060651 0.0534261 -0.0866098 0.0704872 1.3473851 -0.0274518 -0.0936407 -0.0755424 1.4288403 10 Na 1.4060651 -0.0534261 -0.0866098 -0.0704872 1.3473851 0.0274518 -0.0936407 0.0755424 1.4288403 11 Na 1.4060651 0.0534261 -0.0866098 0.0704872 1.3473851 -0.0274518 -0.0936407 -0.0755424 1.4288403 12 Na 1.4060651 -0.0534261 -0.0866098 -0.0704872 1.3473851 0.0274518 -0.0936407 0.0755424 1.4288403 13 Na 1.3338822 -0.1495662 0.0877428 -0.2414672 1.1113795 -0.0616181 0.1202687 -0.0324918 1.5763938 14 Na 1.3338822 0.1495662 0.0877428 0.2414672 1.1113795 0.0616181 0.1202687 0.0324918 1.5763938 15 Na 1.3338822 -0.1495662 0.0877428 -0.2414672 1.1113795 -0.0616181 0.1202687 -0.0324918 1.5763938 16 Na 1.3338822 0.1495662 0.0877428 0.2414672 1.1113795 0.0616181 0.1202687 0.0324918 1.5763938 17 Al 2.4307523 -0.0894590 0.1183662 0.3838973 2.3619360 0.7623002 -0.2360411 0.1541723 0.7178788 18 Al 2.4307523 0.0894590 0.1183662 -0.3838973 2.3619360 -0.7623002 -0.2360411 -0.1541723 0.7178788 19 Al 2.4307523 -0.0894590 0.1183662 0.3838973 2.3619360 0.7623002 -0.2360411 0.1541723 0.7178788 20 Al 2.4307523 0.0894590 0.1183662 -0.3838973 2.3619360 -0.7623002 -0.2360411 -0.1541723 0.7178788 21 Al 2.4359577 0.2165831 0.6750426 0.7047765 2.1173725 -0.7205109 0.3430211 -0.1085977 0.9599556 22 Al 2.4359577 -0.2165831 0.6750426 -0.7047765 2.1173725 0.7205109 0.3430211 0.1085977 0.9599556 23 Al 2.4359577 0.2165831 0.6750426 0.7047765 2.1173725 -0.7205109 0.3430211 -0.1085977 0.9599556 24 Al 2.4359577 -0.2165831 0.6750426 -0.7047765 2.1173725 0.7205109 0.3430211 0.1085977 0.9599556 25 Al 2.3765259 0.2575543 -0.0054697 0.0788453 2.5274981 -0.2377808 0.1664479 -0.0270845 0.6326979 26 Al 2.3765259 -0.2575543 -0.0054697 -0.0788453 2.5274981 0.2377808 0.1664479 0.0270845 0.6326979 27 Al 2.3765259 0.2575543 -0.0054697 0.0788453 2.5274981 -0.2377808 0.1664479 -0.0270845 0.6326979 28 Al 2.3765259 -0.2575543 -0.0054697 -0.0788453 2.5274981 0.2377808 0.1664479 0.0270845 0.6326979 29 Al 2.2492077 -0.1840398 -0.4669300 -0.1917729 2.2962239 0.1682985 -0.3588704 0.0437240 0.7578242 30 Al 2.2492077 0.1840398 -0.4669300 0.1917729 2.2962239 -0.1682985 -0.3588704 -0.0437240 0.7578242 31 Al 2.2492077 -0.1840398 -0.4669300 -0.1917729 2.2962239 0.1682985 -0.3588704 0.0437240 0.7578242 32 Al 2.2492077 0.1840398 -0.4669300 0.1917729 2.2962239 -0.1682985 -0.3588704 -0.0437240 0.7578242 33 As -2.7658848 0.1553012 -0.3197518 0.1016970 -2.8446585 -0.0524049 -0.2248338 -0.0340098 -1.2653829 34 As -2.7658848 -0.1553012 -0.3197518 -0.1016970 -2.8446585 0.0524049 -0.2248338 0.0340098 -1.2653829 35 As -2.7658848 0.1553012 -0.3197518 0.1016970 -2.8446585 -0.0524049 -0.2248338 -0.0340098 -1.2653829 36 As -2.7658848 -0.1553012 -0.3197518 -0.1016970 -2.8446585 0.0524049 -0.2248338 0.0340098 -1.2653829 37 As -2.6192179 0.0495488 -0.0002778 -0.0791521 -2.5606294 0.0294071 0.2977186 0.1607954 -2.1314554 38 As -2.6192179 -0.0495488 -0.0002778 0.0791521 -2.5606294 -0.0294071 0.2977186 -0.1607954 -2.1314554 39 As -2.6192179 0.0495488 -0.0002778 -0.0791521 -2.5606294 0.0294071 0.2977186 0.1607954 -2.1314554 40 As -2.6192179 -0.0495488 -0.0002778 0.0791521 -2.5606294 -0.0294071 0.2977186 -0.1607954 -2.1314554 41 As -2.5257928 -0.0469515 -0.0964794 0.1716998 -3.0952450 0.3836133 -0.2060285 0.2778117 -1.9759415 42 As -2.5257928 0.0469515 -0.0964794 -0.1716998 -3.0952450 -0.3836133 -0.2060285 -0.2778117 -1.9759415 43 As -2.5257928 -0.0469515 -0.0964794 0.1716998 -3.0952450 0.3836133 -0.2060285 0.2778117 -1.9759415 44 As -2.5257928 0.0469515 -0.0964794 -0.1716998 -3.0952450 -0.3836133 -0.2060285 -0.2778117 -1.9759415 45 As -1.7616202 0.0138252 -0.1448832 -0.2862103 -1.5314686 -0.2523416 -0.0428742 0.1086219 -1.5943304 46 As -1.7616202 -0.0138252 -0.1448832 0.2862103 -1.5314686 0.2523416 -0.0428742 -0.1086219 -1.5943304 47 As -1.7616202 0.0138252 -0.1448832 -0.2862103 -1.5314686 -0.2523416 -0.0428742 0.1086219 -1.5943304 48 As -1.7616202 -0.0138252 -0.1448832 0.2862103 -1.5314686 0.2523416 -0.0428742 -0.1086219 -1.5943304 49 As -2.8325835 -0.2773391 0.2450633 -0.2680898 -2.5797157 -0.1353421 0.2133019 -0.0458534 -1.4102357 50 As -2.8325835 0.2773391 0.2450633 0.2680898 -2.5797157 0.1353421 0.2133019 0.0458534 -1.4102357 51 As -2.8325835 -0.2773391 0.2450633 -0.2680898 -2.5797157 -0.1353421 0.2133019 -0.0458534 -1.4102357 52 As -2.8325835 0.2773391 0.2450633 0.2680898 -2.5797157 0.1353421 0.2133019 0.0458534 -1.4102357 53 As -1.8645234 -0.0445162 -0.0229135 0.0482665 -1.2034835 0.1148665 0.0010471 -0.2350786 -1.6282703 54 As -1.8645234 0.0445162 -0.0229135 -0.0482665 -1.2034835 -0.1148665 0.0010471 0.2350786 -1.6282703 55 As -1.8645234 -0.0445162 -0.0229135 0.0482665 -1.2034835 0.1148665 0.0010471 -0.2350786 -1.6282703 56 As -1.8645234 0.0445162 -0.0229135 -0.0482665 -1.2034835 -0.1148665 0.0010471 0.2350786 -1.6282703----------------------------------------------------------------------------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: 336/336Permutation basis: 28392/28392Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 7182Number of blocks in projector: 7182Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 540 eigenvectors found.(1) Complementary block size: 80(1) Compute compressed projector.(1) Use standard solver.(1) 52 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 540 eigenvectors found.(1) Complementary block size: 80(1) Compute compressed projector.(1) Use standard solver.(1) 52 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 473 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 477 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 551 eigenvectors found.(1) Complementary block size: 67(1) Compute compressed projector.(1) Use standard solver.(1) 40 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.Tree of FC basis block matrices:- (7182, 7057), data: False|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True|-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True|-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 1680 - Time: 2.730Solver_block: 200 / 1680 - Time: 2.313Solver_block: 300 / 1680 - Time: 1.868Solver_block: 400 / 1680 - Time: 1.878Solver_block: 500 / 1680 - Time: 1.858Solver_block: 600 / 1680 - Time: 1.675Solver_block: 700 / 1680 - Time: 2.552Solver_block: 800 / 1680 - Time: 1.846Solver_block: 900 / 1680 - Time: 2.450Solver_block: 1000 / 1680 - Time: 1.904Solver_block: 1100 / 1680 - Time: 2.013Solver_block: 1200 / 1680 - Time: 1.851Solver_block: 1300 / 1680 - Time: 1.772Solver_block: 1400 / 1680 - Time: 3.405Solver_block: 1500 / 1680 - Time: 2.733Solver_block: 1600 / 1680 - Time: 1.856Solver_block: 1680 / 1680 - Time: 1.588Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 38.254--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336Permutation basis: 28392/28392Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 7182Number of blocks in projector: 7182Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 540 eigenvectors found.(1) Complementary block size: 80(1) Compute compressed projector.(1) Use standard solver.(1) 52 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found.(1) 540 eigenvectors found.(1) Complementary block size: 80(1) Compute compressed projector.(1) Use standard solver.(1) 52 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1568Use submatrix version of eigh solver.(1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 473 eigenvectors found.(1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 477 eigenvectors found.(1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 551 eigenvectors found.(1) Complementary block size: 67(1) Compute compressed projector.(1) Use standard solver.(1) 40 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 826Use submatrix version of eigh solver.(1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 826 / 826(1) 312 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.Tree of FC basis block matrices:- (7182, 7057), data: False|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True|-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True|-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 03:24:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 03:24:57]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal 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: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 13.051544656462390 0.000000000000000 0.000000000000000 b 0.000000000000000 6.656762560000000 0.000000000000000 c -0.026095133062974 0.000000000000000 14.375256898935755Atomic positions (fractional): 1 Na 0.13760940604448 0.94820837501982 0.01067166574230 22.990 2 Na 0.86239059395552 0.44820837501981 0.48932833425770 22.990 3 Na 0.86239059395552 0.05179162498018 0.98932833425770 22.990 4 Na 0.13760940604448 0.55179162498018 0.51067166574230 22.990 5 Na 0.65130062046121 0.58327195409829 0.97909392177014 22.990 6 Na 0.34869937953879 0.08327195409829 0.52090607822986 22.990 7 Na 0.34869937953879 0.41672804590171 0.02090607822986 22.990 8 Na 0.65130062046121 0.91672804590171 0.47909392177014 22.990 9 Na 0.91579517789195 0.55020629436782 0.89310524284131 22.990 10 Na 0.08420482210805 0.05020629436782 0.60689475715869 22.990 11 Na 0.08420482210805 0.44979370563218 0.10689475715869 22.990 12 Na 0.91579517789195 0.94979370563218 0.39310524284131 22.990 13 Na 0.43467761428191 0.90344858539817 0.08538462416644 22.990 14 Na 0.56532238571809 0.40344858539817 0.41461537583356 22.990 15 Na 0.56532238571809 0.09655141460183 0.91461537583356 22.990 16 Na 0.43467761428191 0.59655141460183 0.58538462416644 22.990 17 Al 0.68410355887467 0.28337250107315 0.16450920423128 26.982 18 Al 0.31589644112533 0.78337250107315 0.33549079576872 26.982 19 Al 0.31589644112533 0.71662749892685 0.83549079576872 26.982 20 Al 0.68410355887467 0.21662749892685 0.66450920423128 26.982 21 Al 0.09458494509655 0.79067466145626 0.27034625386783 26.982 22 Al 0.90541505490345 0.29067466145626 0.22965374613217 26.982 23 Al 0.90541505490345 0.20932533854374 0.72965374613217 26.982 24 Al 0.09458494509655 0.70932533854374 0.77034625386783 26.982 25 Al 0.81226489900187 0.75833549820851 0.17173988359960 26.982 26 Al 0.18773510099813 0.25833549820851 0.32826011640040 26.982 27 Al 0.18773510099813 0.24166450179149 0.82826011640040 26.982 28 Al 0.81226489900187 0.74166450179149 0.67173988359960 26.982 29 Al 0.58972771507884 0.76010706661668 0.24056452117892 26.982 30 Al 0.41027228492116 0.26010706661668 0.25943547882108 26.982 31 Al 0.41027228492116 0.23989293338332 0.75943547882108 26.982 32 Al 0.58972771507884 0.73989293338332 0.74056452117892 26.982 33 As 0.96887205343962 0.96561499749179 0.17173165801045 74.922 34 As 0.03112794656038 0.46561499749179 0.32826834198955 74.922 35 As 0.03112794656038 0.03438500250821 0.82826834198955 74.922 36 As 0.96887205343962 0.53438500250821 0.67173165801045 74.922 37 As 0.83906939986768 0.44727485494890 0.08463131665753 74.922 38 As 0.16093060013232 0.94727485494890 0.41536868334247 74.922 39 As 0.16093060013232 0.55272514505110 0.91536868334247 74.922 40 As 0.83906939986768 0.05272514505110 0.58463131665753 74.922 41 As 0.66135864653435 0.94423651297475 0.10298188455693 74.922 42 As 0.33864135346565 0.44423651297475 0.39701811544307 74.922 43 As 0.33864135346565 0.05576348702525 0.89701811544307 74.922 44 As 0.66135864653435 0.55576348702525 0.60298188455693 74.922 45 As 0.74792240593983 0.84375404296711 0.82969935447108 74.922 46 As 0.25207759406017 0.34375404296711 0.67030064552892 74.922 47 As 0.25207759406017 0.15624595703289 0.17030064552892 74.922 48 As 0.74792240593983 0.65624595703289 0.32969935447108 74.922 49 As 0.51983597322162 0.46662124513552 0.15629316869911 74.922 50 As 0.48016402677838 0.96662124513552 0.34370683130090 74.922 51 As 0.48016402677838 0.53337875486448 0.84370683130089 74.922 52 As 0.51983597322162 0.03337875486448 0.65629316869911 74.922 53 As 0.74834544717523 0.22095853063914 0.82558996400902 74.922 54 As 0.25165455282477 0.72095853063914 0.67441003599098 74.922 55 As 0.25165455282477 0.77904146936086 0.17441003599098 74.922 56 As 0.74834544717523 0.27904146936086 0.32558996400902 74.922-------------------------------- supercell ---------------------------------Lattice vectors: a 13.051544656462390 0.000000000000000 0.000000000000000 b 0.000000000000000 13.313525120000000 0.000000000000000 c -0.026095133062974 0.000000000000000 14.375256898935755Atomic positions (fractional): 1 Na 0.13760940604448 0.47410418750991 0.01067166574230 22.990 > 1 2 Na 0.13760940604448 0.97410418750991 0.01067166574230 22.990 > 1 3 Na 0.86239059395552 0.22410418750991 0.48932833425770 22.990 > 3 4 Na 0.86239059395552 0.72410418750991 0.48932833425770 22.990 > 3 5 Na 0.86239059395552 0.02589581249009 0.98932833425770 22.990 > 5 6 Na 0.86239059395552 0.52589581249009 0.98932833425770 22.990 > 5 7 Na 0.13760940604448 0.27589581249009 0.51067166574230 22.990 > 7 8 Na 0.13760940604448 0.77589581249009 0.51067166574230 22.990 > 7 9 Na 0.65130062046121 0.29163597704914 0.97909392177014 22.990 > 9 10 Na 0.65130062046121 0.79163597704914 0.97909392177014 22.990 > 9 11 Na 0.34869937953879 0.04163597704914 0.52090607822986 22.990 > 11 12 Na 0.34869937953879 0.54163597704914 0.52090607822986 22.990 > 11 13 Na 0.34869937953879 0.20836402295086 0.02090607822986 22.990 > 13 14 Na 0.34869937953879 0.70836402295086 0.02090607822986 22.990 > 13 15 Na 0.65130062046121 0.45836402295086 0.47909392177014 22.990 > 15 16 Na 0.65130062046121 0.95836402295086 0.47909392177014 22.990 > 15 17 Na 0.91579517789195 0.27510314718391 0.89310524284131 22.990 > 17 18 Na 0.91579517789195 0.77510314718391 0.89310524284131 22.990 > 17 19 Na 0.08420482210805 0.02510314718391 0.60689475715869 22.990 > 19 20 Na 0.08420482210805 0.52510314718391 0.60689475715869 22.990 > 19 21 Na 0.08420482210805 0.22489685281609 0.10689475715869 22.990 > 21 22 Na 0.08420482210805 0.72489685281609 0.10689475715869 22.990 > 21 23 Na 0.91579517789195 0.47489685281609 0.39310524284131 22.990 > 23 24 Na 0.91579517789195 0.97489685281609 0.39310524284131 22.990 > 23 25 Na 0.43467761428191 0.45172429269908 0.08538462416644 22.990 > 25 26 Na 0.43467761428191 0.95172429269908 0.08538462416644 22.990 > 25 27 Na 0.56532238571809 0.20172429269908 0.41461537583356 22.990 > 27 28 Na 0.56532238571809 0.70172429269908 0.41461537583356 22.990 > 27 29 Na 0.56532238571809 0.04827570730092 0.91461537583356 22.990 > 29 30 Na 0.56532238571809 0.54827570730092 0.91461537583356 22.990 > 29 31 Na 0.43467761428191 0.29827570730092 0.58538462416644 22.990 > 31 32 Na 0.43467761428191 0.79827570730092 0.58538462416644 22.990 > 31 33 Al 0.68410355887467 0.14168625053658 0.16450920423128 26.982 > 33 34 Al 0.68410355887467 0.64168625053658 0.16450920423128 26.982 > 33 35 Al 0.31589644112533 0.39168625053658 0.33549079576872 26.982 > 35 36 Al 0.31589644112533 0.89168625053658 0.33549079576872 26.982 > 35 37 Al 0.31589644112533 0.35831374946342 0.83549079576872 26.982 > 37 38 Al 0.31589644112533 0.85831374946342 0.83549079576872 26.982 > 37 39 Al 0.68410355887467 0.10831374946342 0.66450920423128 26.982 > 39 40 Al 0.68410355887467 0.60831374946342 0.66450920423128 26.982 > 39 41 Al 0.09458494509655 0.39533733072813 0.27034625386783 26.982 > 41 42 Al 0.09458494509655 0.89533733072813 0.27034625386783 26.982 > 41 43 Al 0.90541505490345 0.14533733072813 0.22965374613217 26.982 > 43 44 Al 0.90541505490345 0.64533733072813 0.22965374613217 26.982 > 43 45 Al 0.90541505490345 0.10466266927187 0.72965374613217 26.982 > 45 46 Al 0.90541505490345 0.60466266927187 0.72965374613217 26.982 > 45 47 Al 0.09458494509655 0.35466266927187 0.77034625386783 26.982 > 47 48 Al 0.09458494509655 0.85466266927187 0.77034625386783 26.982 > 47 49 Al 0.81226489900187 0.37916774910425 0.17173988359960 26.982 > 49 50 Al 0.81226489900187 0.87916774910425 0.17173988359960 26.982 > 49 51 Al 0.18773510099813 0.12916774910425 0.32826011640040 26.982 > 51 52 Al 0.18773510099813 0.62916774910425 0.32826011640040 26.982 > 51 53 Al 0.18773510099813 0.12083225089575 0.82826011640040 26.982 > 53 54 Al 0.18773510099813 0.62083225089575 0.82826011640040 26.982 > 53 55 Al 0.81226489900187 0.37083225089575 0.67173988359960 26.982 > 55 56 Al 0.81226489900187 0.87083225089575 0.67173988359960 26.982 > 55 57 Al 0.58972771507884 0.38005353330834 0.24056452117892 26.982 > 57 58 Al 0.58972771507884 0.88005353330834 0.24056452117892 26.982 > 57 59 Al 0.41027228492116 0.13005353330834 0.25943547882108 26.982 > 59 60 Al 0.41027228492116 0.63005353330834 0.25943547882108 26.982 > 59 61 Al 0.41027228492116 0.11994646669166 0.75943547882108 26.982 > 61 62 Al 0.41027228492116 0.61994646669166 0.75943547882108 26.982 > 61 63 Al 0.58972771507884 0.36994646669166 0.74056452117892 26.982 > 63 64 Al 0.58972771507884 0.86994646669166 0.74056452117892 26.982 > 63 65 As 0.96887205343962 0.48280749874590 0.17173165801045 74.922 > 65 66 As 0.96887205343962 0.98280749874590 0.17173165801045 74.922 > 65 67 As 0.03112794656038 0.23280749874589 0.32826834198955 74.922 > 67 68 As 0.03112794656038 0.73280749874590 0.32826834198955 74.922 > 67 69 As 0.03112794656038 0.01719250125410 0.82826834198955 74.922 > 69 70 As 0.03112794656038 0.51719250125410 0.82826834198955 74.922 > 69 71 As 0.96887205343962 0.26719250125410 0.67173165801045 74.922 > 71 72 As 0.96887205343962 0.76719250125410 0.67173165801045 74.922 > 71 73 As 0.83906939986768 0.22363742747445 0.08463131665753 74.922 > 73 74 As 0.83906939986768 0.72363742747445 0.08463131665753 74.922 > 73 75 As 0.16093060013232 0.47363742747445 0.41536868334247 74.922 > 75 76 As 0.16093060013232 0.97363742747445 0.41536868334247 74.922 > 75 77 As 0.16093060013232 0.27636257252555 0.91536868334247 74.922 > 77 78 As 0.16093060013232 0.77636257252555 0.91536868334247 74.922 > 77 79 As 0.83906939986768 0.02636257252555 0.58463131665753 74.922 > 79 80 As 0.83906939986768 0.52636257252555 0.58463131665753 74.922 > 79 81 As 0.66135864653435 0.47211825648738 0.10298188455693 74.922 > 81 82 As 0.66135864653435 0.97211825648738 0.10298188455693 74.922 > 81 83 As 0.33864135346565 0.22211825648738 0.39701811544307 74.922 > 83 84 As 0.33864135346565 0.72211825648738 0.39701811544307 74.922 > 83 85 As 0.33864135346565 0.02788174351262 0.89701811544307 74.922 > 85 86 As 0.33864135346565 0.52788174351262 0.89701811544307 74.922 > 85 87 As 0.66135864653435 0.27788174351262 0.60298188455693 74.922 > 87 88 As 0.66135864653435 0.77788174351262 0.60298188455693 74.922 > 87 89 As 0.74792240593983 0.42187702148356 0.82969935447108 74.922 > 89 90 As 0.74792240593983 0.92187702148356 0.82969935447108 74.922 > 89 91 As 0.25207759406017 0.17187702148356 0.67030064552892 74.922 > 91 92 As 0.25207759406017 0.67187702148356 0.67030064552892 74.922 > 91 93 As 0.25207759406017 0.07812297851644 0.17030064552892 74.922 > 93 94 As 0.25207759406017 0.57812297851644 0.17030064552892 74.922 > 93 95 As 0.74792240593983 0.32812297851644 0.32969935447108 74.922 > 95 96 As 0.74792240593983 0.82812297851644 0.32969935447108 74.922 > 95 97 As 0.51983597322162 0.23331062256776 0.15629316869911 74.922 > 97 98 As 0.51983597322162 0.73331062256776 0.15629316869911 74.922 > 97 99 As 0.48016402677838 0.48331062256776 0.34370683130090 74.922 > 99 100 As 0.48016402677838 0.98331062256776 0.34370683130090 74.922 > 99 101 As 0.48016402677838 0.26668937743224 0.84370683130089 74.922 > 101 102 As 0.48016402677838 0.76668937743224 0.84370683130089 74.922 > 101 103 As 0.51983597322162 0.01668937743224 0.65629316869911 74.922 > 103 104 As 0.51983597322162 0.51668937743224 0.65629316869911 74.922 > 103 105 As 0.74834544717523 0.11047926531957 0.82558996400902 74.922 > 105 106 As 0.74834544717523 0.61047926531957 0.82558996400902 74.922 > 105 107 As 0.25165455282477 0.36047926531957 0.67441003599098 74.922 > 107 108 As 0.25165455282477 0.86047926531957 0.67441003599098 74.922 > 107 109 As 0.25165455282477 0.38952073468043 0.17441003599098 74.922 > 109 110 As 0.25165455282477 0.88952073468043 0.17441003599098 74.922 > 109 111 As 0.74834544717523 0.13952073468043 0.32558996400902 74.922 > 111 112 As 0.74834544717523 0.63952073468043 0.32558996400902 74.922 > 111----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.2712259 0.0000000 -0.0444206 0.0000000 10.7587101 0.0000000 -0.0443686 0.0000000 8.3359354-------------------------- Born effective charges -------------------------- 1 Na 1.0968517 -0.0013822 -0.0596176 0.0655921 0.9352975 0.0523884 -0.0730455 0.1121592 1.9609525 2 Na 1.0968517 0.0013822 -0.0596176 -0.0655921 0.9352975 -0.0523884 -0.0730455 -0.1121592 1.9609525 3 Na 1.0968517 -0.0013822 -0.0596176 0.0655921 0.9352975 0.0523884 -0.0730455 0.1121592 1.9609525 4 Na 1.0968517 0.0013822 -0.0596176 -0.0655921 0.9352975 -0.0523884 -0.0730455 -0.1121592 1.9609525 5 Na 1.0403800 0.0398278 0.0767179 0.0186056 1.1181079 -0.0312012 0.0935288 0.0434938 1.9710732 6 Na 1.0403800 -0.0398278 0.0767179 -0.0186056 1.1181079 0.0312012 0.0935288 -0.0434938 1.9710732 7 Na 1.0403800 0.0398278 0.0767179 0.0186056 1.1181079 -0.0312012 0.0935288 0.0434938 1.9710732 8 Na 1.0403800 -0.0398278 0.0767179 -0.0186056 1.1181079 0.0312012 0.0935288 -0.0434938 1.9710732 9 Na 1.4060651 0.0534261 -0.0866098 0.0704872 1.3473851 -0.0274518 -0.0936407 -0.0755424 1.4288403 10 Na 1.4060651 -0.0534261 -0.0866098 -0.0704872 1.3473851 0.0274518 -0.0936407 0.0755424 1.4288403 11 Na 1.4060651 0.0534261 -0.0866098 0.0704872 1.3473851 -0.0274518 -0.0936407 -0.0755424 1.4288403 12 Na 1.4060651 -0.0534261 -0.0866098 -0.0704872 1.3473851 0.0274518 -0.0936407 0.0755424 1.4288403 13 Na 1.3338822 -0.1495662 0.0877428 -0.2414672 1.1113795 -0.0616181 0.1202687 -0.0324918 1.5763938 14 Na 1.3338822 0.1495662 0.0877428 0.2414672 1.1113795 0.0616181 0.1202687 0.0324918 1.5763938 15 Na 1.3338822 -0.1495662 0.0877428 -0.2414672 1.1113795 -0.0616181 0.1202687 -0.0324918 1.5763938 16 Na 1.3338822 0.1495662 0.0877428 0.2414672 1.1113795 0.0616181 0.1202687 0.0324918 1.5763938 17 Al 2.4307523 -0.0894590 0.1183662 0.3838973 2.3619360 0.7623002 -0.2360411 0.1541723 0.7178788 18 Al 2.4307523 0.0894590 0.1183662 -0.3838973 2.3619360 -0.7623002 -0.2360411 -0.1541723 0.7178788 19 Al 2.4307523 -0.0894590 0.1183662 0.3838973 2.3619360 0.7623002 -0.2360411 0.1541723 0.7178788 20 Al 2.4307523 0.0894590 0.1183662 -0.3838973 2.3619360 -0.7623002 -0.2360411 -0.1541723 0.7178788 21 Al 2.4359577 0.2165831 0.6750426 0.7047765 2.1173725 -0.7205109 0.3430211 -0.1085977 0.9599556 22 Al 2.4359577 -0.2165831 0.6750426 -0.7047765 2.1173725 0.7205109 0.3430211 0.1085977 0.9599556 23 Al 2.4359577 0.2165831 0.6750426 0.7047765 2.1173725 -0.7205109 0.3430211 -0.1085977 0.9599556 24 Al 2.4359577 -0.2165831 0.6750426 -0.7047765 2.1173725 0.7205109 0.3430211 0.1085977 0.9599556 25 Al 2.3765259 0.2575543 -0.0054697 0.0788453 2.5274981 -0.2377808 0.1664479 -0.0270845 0.6326979 26 Al 2.3765259 -0.2575543 -0.0054697 -0.0788453 2.5274981 0.2377808 0.1664479 0.0270845 0.6326979 27 Al 2.3765259 0.2575543 -0.0054697 0.0788453 2.5274981 -0.2377808 0.1664479 -0.0270845 0.6326979 28 Al 2.3765259 -0.2575543 -0.0054697 -0.0788453 2.5274981 0.2377808 0.1664479 0.0270845 0.6326979 29 Al 2.2492077 -0.1840398 -0.4669300 -0.1917729 2.2962239 0.1682985 -0.3588704 0.0437240 0.7578242 30 Al 2.2492077 0.1840398 -0.4669300 0.1917729 2.2962239 -0.1682985 -0.3588704 -0.0437240 0.7578242 31 Al 2.2492077 -0.1840398 -0.4669300 -0.1917729 2.2962239 0.1682985 -0.3588704 0.0437240 0.7578242 32 Al 2.2492077 0.1840398 -0.4669300 0.1917729 2.2962239 -0.1682985 -0.3588704 -0.0437240 0.7578242 33 As -2.7658848 0.1553012 -0.3197518 0.1016970 -2.8446585 -0.0524049 -0.2248338 -0.0340098 -1.2653829 34 As -2.7658848 -0.1553012 -0.3197518 -0.1016970 -2.8446585 0.0524049 -0.2248338 0.0340098 -1.2653829 35 As -2.7658848 0.1553012 -0.3197518 0.1016970 -2.8446585 -0.0524049 -0.2248338 -0.0340098 -1.2653829 36 As -2.7658848 -0.1553012 -0.3197518 -0.1016970 -2.8446585 0.0524049 -0.2248338 0.0340098 -1.2653829 37 As -2.6192179 0.0495488 -0.0002778 -0.0791521 -2.5606294 0.0294071 0.2977186 0.1607954 -2.1314554 38 As -2.6192179 -0.0495488 -0.0002778 0.0791521 -2.5606294 -0.0294071 0.2977186 -0.1607954 -2.1314554 39 As -2.6192179 0.0495488 -0.0002778 -0.0791521 -2.5606294 0.0294071 0.2977186 0.1607954 -2.1314554 40 As -2.6192179 -0.0495488 -0.0002778 0.0791521 -2.5606294 -0.0294071 0.2977186 -0.1607954 -2.1314554 41 As -2.5257928 -0.0469515 -0.0964794 0.1716998 -3.0952450 0.3836133 -0.2060285 0.2778117 -1.9759415 42 As -2.5257928 0.0469515 -0.0964794 -0.1716998 -3.0952450 -0.3836133 -0.2060285 -0.2778117 -1.9759415 43 As -2.5257928 -0.0469515 -0.0964794 0.1716998 -3.0952450 0.3836133 -0.2060285 0.2778117 -1.9759415 44 As -2.5257928 0.0469515 -0.0964794 -0.1716998 -3.0952450 -0.3836133 -0.2060285 -0.2778117 -1.9759415 45 As -1.7616202 0.0138252 -0.1448832 -0.2862103 -1.5314686 -0.2523416 -0.0428742 0.1086219 -1.5943304 46 As -1.7616202 -0.0138252 -0.1448832 0.2862103 -1.5314686 0.2523416 -0.0428742 -0.1086219 -1.5943304 47 As -1.7616202 0.0138252 -0.1448832 -0.2862103 -1.5314686 -0.2523416 -0.0428742 0.1086219 -1.5943304 48 As -1.7616202 -0.0138252 -0.1448832 0.2862103 -1.5314686 0.2523416 -0.0428742 -0.1086219 -1.5943304 49 As -2.8325835 -0.2773391 0.2450633 -0.2680898 -2.5797157 -0.1353421 0.2133019 -0.0458534 -1.4102357 50 As -2.8325835 0.2773391 0.2450633 0.2680898 -2.5797157 0.1353421 0.2133019 0.0458534 -1.4102357 51 As -2.8325835 -0.2773391 0.2450633 -0.2680898 -2.5797157 -0.1353421 0.2133019 -0.0458534 -1.4102357 52 As -2.8325835 0.2773391 0.2450633 0.2680898 -2.5797157 0.1353421 0.2133019 0.0458534 -1.4102357 53 As -1.8645234 -0.0445162 -0.0229135 0.0482665 -1.2034835 0.1148665 0.0010471 -0.2350786 -1.6282703 54 As -1.8645234 0.0445162 -0.0229135 -0.0482665 -1.2034835 -0.1148665 0.0010471 0.2350786 -1.6282703 55 As -1.8645234 -0.0445162 -0.0229135 0.0482665 -1.2034835 0.1148665 0.0010471 -0.2350786 -1.6282703 56 As -1.8645234 0.0445162 -0.0229135 -0.0482665 -1.2034835 -0.1148665 0.0010471 0.2350786 -1.6282703----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 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[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 89, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 105, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 03:26:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 03:26:06]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 13.051544656462390 0.000000000000000 0.000000000000000 b 0.000000000000000 6.656762560000000 0.000000000000000 c -0.026095133062974 0.000000000000000 14.375256898935755Atomic positions (fractional): 1 Na 0.13760940604448 0.94820837501982 0.01067166574230 22.990 2 Na 0.86239059395552 0.44820837501981 0.48932833425770 22.990 3 Na 0.86239059395552 0.05179162498018 0.98932833425770 22.990 4 Na 0.13760940604448 0.55179162498018 0.51067166574230 22.990 5 Na 0.65130062046121 0.58327195409829 0.97909392177014 22.990 6 Na 0.34869937953879 0.08327195409829 0.52090607822986 22.990 7 Na 0.34869937953879 0.41672804590171 0.02090607822986 22.990 8 Na 0.65130062046121 0.91672804590171 0.47909392177014 22.990 9 Na 0.91579517789195 0.55020629436782 0.89310524284131 22.990 10 Na 0.08420482210805 0.05020629436782 0.60689475715869 22.990 11 Na 0.08420482210805 0.44979370563218 0.10689475715869 22.990 12 Na 0.91579517789195 0.94979370563218 0.39310524284131 22.990 13 Na 0.43467761428191 0.90344858539817 0.08538462416644 22.990 14 Na 0.56532238571809 0.40344858539817 0.41461537583356 22.990 15 Na 0.56532238571809 0.09655141460183 0.91461537583356 22.990 16 Na 0.43467761428191 0.59655141460183 0.58538462416644 22.990 17 Al 0.68410355887467 0.28337250107315 0.16450920423128 26.982 18 Al 0.31589644112533 0.78337250107315 0.33549079576872 26.982 19 Al 0.31589644112533 0.71662749892685 0.83549079576872 26.982 20 Al 0.68410355887467 0.21662749892685 0.66450920423128 26.982 21 Al 0.09458494509655 0.79067466145626 0.27034625386783 26.982 22 Al 0.90541505490345 0.29067466145626 0.22965374613217 26.982 23 Al 0.90541505490345 0.20932533854374 0.72965374613217 26.982 24 Al 0.09458494509655 0.70932533854374 0.77034625386783 26.982 25 Al 0.81226489900187 0.75833549820851 0.17173988359960 26.982 26 Al 0.18773510099813 0.25833549820851 0.32826011640040 26.982 27 Al 0.18773510099813 0.24166450179149 0.82826011640040 26.982 28 Al 0.81226489900187 0.74166450179149 0.67173988359960 26.982 29 Al 0.58972771507884 0.76010706661668 0.24056452117892 26.982 30 Al 0.41027228492116 0.26010706661668 0.25943547882108 26.982 31 Al 0.41027228492116 0.23989293338332 0.75943547882108 26.982 32 Al 0.58972771507884 0.73989293338332 0.74056452117892 26.982 33 As 0.96887205343962 0.96561499749179 0.17173165801045 74.922 34 As 0.03112794656038 0.46561499749179 0.32826834198955 74.922 35 As 0.03112794656038 0.03438500250821 0.82826834198955 74.922 36 As 0.96887205343962 0.53438500250821 0.67173165801045 74.922 37 As 0.83906939986768 0.44727485494890 0.08463131665753 74.922 38 As 0.16093060013232 0.94727485494890 0.41536868334247 74.922 39 As 0.16093060013232 0.55272514505110 0.91536868334247 74.922 40 As 0.83906939986768 0.05272514505110 0.58463131665753 74.922 41 As 0.66135864653435 0.94423651297475 0.10298188455693 74.922 42 As 0.33864135346565 0.44423651297475 0.39701811544307 74.922 43 As 0.33864135346565 0.05576348702525 0.89701811544307 74.922 44 As 0.66135864653435 0.55576348702525 0.60298188455693 74.922 45 As 0.74792240593983 0.84375404296711 0.82969935447108 74.922 46 As 0.25207759406017 0.34375404296711 0.67030064552892 74.922 47 As 0.25207759406017 0.15624595703289 0.17030064552892 74.922 48 As 0.74792240593983 0.65624595703289 0.32969935447108 74.922 49 As 0.51983597322162 0.46662124513552 0.15629316869911 74.922 50 As 0.48016402677838 0.96662124513552 0.34370683130090 74.922 51 As 0.48016402677838 0.53337875486448 0.84370683130089 74.922 52 As 0.51983597322162 0.03337875486448 0.65629316869911 74.922 53 As 0.74834544717523 0.22095853063914 0.82558996400902 74.922 54 As 0.25165455282477 0.72095853063914 0.67441003599098 74.922 55 As 0.25165455282477 0.77904146936086 0.17441003599098 74.922 56 As 0.74834544717523 0.27904146936086 0.32558996400902 74.922-------------------------------- supercell ---------------------------------Lattice vectors: a 13.051544656462390 0.000000000000000 0.000000000000000 b 0.000000000000000 13.313525120000000 0.000000000000000 c -0.026095133062974 0.000000000000000 14.375256898935755Atomic positions (fractional): 1 Na 0.13760940604448 0.47410418750991 0.01067166574230 22.990 > 1 2 Na 0.13760940604448 0.97410418750991 0.01067166574230 22.990 > 1 3 Na 0.86239059395552 0.22410418750991 0.48932833425770 22.990 > 3 4 Na 0.86239059395552 0.72410418750991 0.48932833425770 22.990 > 3 5 Na 0.86239059395552 0.02589581249009 0.98932833425770 22.990 > 5 6 Na 0.86239059395552 0.52589581249009 0.98932833425770 22.990 > 5 7 Na 0.13760940604448 0.27589581249009 0.51067166574230 22.990 > 7 8 Na 0.13760940604448 0.77589581249009 0.51067166574230 22.990 > 7 9 Na 0.65130062046121 0.29163597704914 0.97909392177014 22.990 > 9 10 Na 0.65130062046121 0.79163597704914 0.97909392177014 22.990 > 9 11 Na 0.34869937953879 0.04163597704914 0.52090607822986 22.990 > 11 12 Na 0.34869937953879 0.54163597704914 0.52090607822986 22.990 > 11 13 Na 0.34869937953879 0.20836402295086 0.02090607822986 22.990 > 13 14 Na 0.34869937953879 0.70836402295086 0.02090607822986 22.990 > 13 15 Na 0.65130062046121 0.45836402295086 0.47909392177014 22.990 > 15 16 Na 0.65130062046121 0.95836402295086 0.47909392177014 22.990 > 15 17 Na 0.91579517789195 0.27510314718391 0.89310524284131 22.990 > 17 18 Na 0.91579517789195 0.77510314718391 0.89310524284131 22.990 > 17 19 Na 0.08420482210805 0.02510314718391 0.60689475715869 22.990 > 19 20 Na 0.08420482210805 0.52510314718391 0.60689475715869 22.990 > 19 21 Na 0.08420482210805 0.22489685281609 0.10689475715869 22.990 > 21 22 Na 0.08420482210805 0.72489685281609 0.10689475715869 22.990 > 21 23 Na 0.91579517789195 0.47489685281609 0.39310524284131 22.990 > 23 24 Na 0.91579517789195 0.97489685281609 0.39310524284131 22.990 > 23 25 Na 0.43467761428191 0.45172429269908 0.08538462416644 22.990 > 25 26 Na 0.43467761428191 0.95172429269908 0.08538462416644 22.990 > 25 27 Na 0.56532238571809 0.20172429269908 0.41461537583356 22.990 > 27 28 Na 0.56532238571809 0.70172429269908 0.41461537583356 22.990 > 27 29 Na 0.56532238571809 0.04827570730092 0.91461537583356 22.990 > 29 30 Na 0.56532238571809 0.54827570730092 0.91461537583356 22.990 > 29 31 Na 0.43467761428191 0.29827570730092 0.58538462416644 22.990 > 31 32 Na 0.43467761428191 0.79827570730092 0.58538462416644 22.990 > 31 33 Al 0.68410355887467 0.14168625053658 0.16450920423128 26.982 > 33 34 Al 0.68410355887467 0.64168625053658 0.16450920423128 26.982 > 33 35 Al 0.31589644112533 0.39168625053658 0.33549079576872 26.982 > 35 36 Al 0.31589644112533 0.89168625053658 0.33549079576872 26.982 > 35 37 Al 0.31589644112533 0.35831374946342 0.83549079576872 26.982 > 37 38 Al 0.31589644112533 0.85831374946342 0.83549079576872 26.982 > 37 39 Al 0.68410355887467 0.10831374946342 0.66450920423128 26.982 > 39 40 Al 0.68410355887467 0.60831374946342 0.66450920423128 26.982 > 39 41 Al 0.09458494509655 0.39533733072813 0.27034625386783 26.982 > 41 42 Al 0.09458494509655 0.89533733072813 0.27034625386783 26.982 > 41 43 Al 0.90541505490345 0.14533733072813 0.22965374613217 26.982 > 43 44 Al 0.90541505490345 0.64533733072813 0.22965374613217 26.982 > 43 45 Al 0.90541505490345 0.10466266927187 0.72965374613217 26.982 > 45 46 Al 0.90541505490345 0.60466266927187 0.72965374613217 26.982 > 45 47 Al 0.09458494509655 0.35466266927187 0.77034625386783 26.982 > 47 48 Al 0.09458494509655 0.85466266927187 0.77034625386783 26.982 > 47 49 Al 0.81226489900187 0.37916774910425 0.17173988359960 26.982 > 49 50 Al 0.81226489900187 0.87916774910425 0.17173988359960 26.982 > 49 51 Al 0.18773510099813 0.12916774910425 0.32826011640040 26.982 > 51 52 Al 0.18773510099813 0.62916774910425 0.32826011640040 26.982 > 51 53 Al 0.18773510099813 0.12083225089575 0.82826011640040 26.982 > 53 54 Al 0.18773510099813 0.62083225089575 0.82826011640040 26.982 > 53 55 Al 0.81226489900187 0.37083225089575 0.67173988359960 26.982 > 55 56 Al 0.81226489900187 0.87083225089575 0.67173988359960 26.982 > 55 57 Al 0.58972771507884 0.38005353330834 0.24056452117892 26.982 > 57 58 Al 0.58972771507884 0.88005353330834 0.24056452117892 26.982 > 57 59 Al 0.41027228492116 0.13005353330834 0.25943547882108 26.982 > 59 60 Al 0.41027228492116 0.63005353330834 0.25943547882108 26.982 > 59 61 Al 0.41027228492116 0.11994646669166 0.75943547882108 26.982 > 61 62 Al 0.41027228492116 0.61994646669166 0.75943547882108 26.982 > 61 63 Al 0.58972771507884 0.36994646669166 0.74056452117892 26.982 > 63 64 Al 0.58972771507884 0.86994646669166 0.74056452117892 26.982 > 63 65 As 0.96887205343962 0.48280749874590 0.17173165801045 74.922 > 65 66 As 0.96887205343962 0.98280749874590 0.17173165801045 74.922 > 65 67 As 0.03112794656038 0.23280749874589 0.32826834198955 74.922 > 67 68 As 0.03112794656038 0.73280749874590 0.32826834198955 74.922 > 67 69 As 0.03112794656038 0.01719250125410 0.82826834198955 74.922 > 69 70 As 0.03112794656038 0.51719250125410 0.82826834198955 74.922 > 69 71 As 0.96887205343962 0.26719250125410 0.67173165801045 74.922 > 71 72 As 0.96887205343962 0.76719250125410 0.67173165801045 74.922 > 71 73 As 0.83906939986768 0.22363742747445 0.08463131665753 74.922 > 73 74 As 0.83906939986768 0.72363742747445 0.08463131665753 74.922 > 73 75 As 0.16093060013232 0.47363742747445 0.41536868334247 74.922 > 75 76 As 0.16093060013232 0.97363742747445 0.41536868334247 74.922 > 75 77 As 0.16093060013232 0.27636257252555 0.91536868334247 74.922 > 77 78 As 0.16093060013232 0.77636257252555 0.91536868334247 74.922 > 77 79 As 0.83906939986768 0.02636257252555 0.58463131665753 74.922 > 79 80 As 0.83906939986768 0.52636257252555 0.58463131665753 74.922 > 79 81 As 0.66135864653435 0.47211825648738 0.10298188455693 74.922 > 81 82 As 0.66135864653435 0.97211825648738 0.10298188455693 74.922 > 81 83 As 0.33864135346565 0.22211825648738 0.39701811544307 74.922 > 83 84 As 0.33864135346565 0.72211825648738 0.39701811544307 74.922 > 83 85 As 0.33864135346565 0.02788174351262 0.89701811544307 74.922 > 85 86 As 0.33864135346565 0.52788174351262 0.89701811544307 74.922 > 85 87 As 0.66135864653435 0.27788174351262 0.60298188455693 74.922 > 87 88 As 0.66135864653435 0.77788174351262 0.60298188455693 74.922 > 87 89 As 0.74792240593983 0.42187702148356 0.82969935447108 74.922 > 89 90 As 0.74792240593983 0.92187702148356 0.82969935447108 74.922 > 89 91 As 0.25207759406017 0.17187702148356 0.67030064552892 74.922 > 91 92 As 0.25207759406017 0.67187702148356 0.67030064552892 74.922 > 91 93 As 0.25207759406017 0.07812297851644 0.17030064552892 74.922 > 93 94 As 0.25207759406017 0.57812297851644 0.17030064552892 74.922 > 93 95 As 0.74792240593983 0.32812297851644 0.32969935447108 74.922 > 95 96 As 0.74792240593983 0.82812297851644 0.32969935447108 74.922 > 95 97 As 0.51983597322162 0.23331062256776 0.15629316869911 74.922 > 97 98 As 0.51983597322162 0.73331062256776 0.15629316869911 74.922 > 97 99 As 0.48016402677838 0.48331062256776 0.34370683130090 74.922 > 99 100 As 0.48016402677838 0.98331062256776 0.34370683130090 74.922 > 99 101 As 0.48016402677838 0.26668937743224 0.84370683130089 74.922 > 101 102 As 0.48016402677838 0.76668937743224 0.84370683130089 74.922 > 101 103 As 0.51983597322162 0.01668937743224 0.65629316869911 74.922 > 103 104 As 0.51983597322162 0.51668937743224 0.65629316869911 74.922 > 103 105 As 0.74834544717523 0.11047926531957 0.82558996400902 74.922 > 105 106 As 0.74834544717523 0.61047926531957 0.82558996400902 74.922 > 105 107 As 0.25165455282477 0.36047926531957 0.67441003599098 74.922 > 107 108 As 0.25165455282477 0.86047926531957 0.67441003599098 74.922 > 107 109 As 0.25165455282477 0.38952073468043 0.17441003599098 74.922 > 109 110 As 0.25165455282477 0.88952073468043 0.17441003599098 74.922 > 109 111 As 0.74834544717523 0.13952073468043 0.32558996400902 74.922 > 111 112 As 0.74834544717523 0.63952073468043 0.32558996400902 74.922 > 111----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 10.2712259 0.0000000 -0.0444206 0.0000000 10.7587101 0.0000000 -0.0443686 0.0000000 8.3359354-------------------------- Born effective charges -------------------------- 1 Na 1.0968517 -0.0013822 -0.0596176 0.0655921 0.9352975 0.0523884 -0.0730455 0.1121592 1.9609525 2 Na 1.0968517 0.0013822 -0.0596176 -0.0655921 0.9352975 -0.0523884 -0.0730455 -0.1121592 1.9609525 3 Na 1.0968517 -0.0013822 -0.0596176 0.0655921 0.9352975 0.0523884 -0.0730455 0.1121592 1.9609525 4 Na 1.0968517 0.0013822 -0.0596176 -0.0655921 0.9352975 -0.0523884 -0.0730455 -0.1121592 1.9609525 5 Na 1.0403800 0.0398278 0.0767179 0.0186056 1.1181079 -0.0312012 0.0935288 0.0434938 1.9710732 6 Na 1.0403800 -0.0398278 0.0767179 -0.0186056 1.1181079 0.0312012 0.0935288 -0.0434938 1.9710732 7 Na 1.0403800 0.0398278 0.0767179 0.0186056 1.1181079 -0.0312012 0.0935288 0.0434938 1.9710732 8 Na 1.0403800 -0.0398278 0.0767179 -0.0186056 1.1181079 0.0312012 0.0935288 -0.0434938 1.9710732 9 Na 1.4060651 0.0534261 -0.0866098 0.0704872 1.3473851 -0.0274518 -0.0936407 -0.0755424 1.4288403 10 Na 1.4060651 -0.0534261 -0.0866098 -0.0704872 1.3473851 0.0274518 -0.0936407 0.0755424 1.4288403 11 Na 1.4060651 0.0534261 -0.0866098 0.0704872 1.3473851 -0.0274518 -0.0936407 -0.0755424 1.4288403 12 Na 1.4060651 -0.0534261 -0.0866098 -0.0704872 1.3473851 0.0274518 -0.0936407 0.0755424 1.4288403 13 Na 1.3338822 -0.1495662 0.0877428 -0.2414672 1.1113795 -0.0616181 0.1202687 -0.0324918 1.5763938 14 Na 1.3338822 0.1495662 0.0877428 0.2414672 1.1113795 0.0616181 0.1202687 0.0324918 1.5763938 15 Na 1.3338822 -0.1495662 0.0877428 -0.2414672 1.1113795 -0.0616181 0.1202687 -0.0324918 1.5763938 16 Na 1.3338822 0.1495662 0.0877428 0.2414672 1.1113795 0.0616181 0.1202687 0.0324918 1.5763938 17 Al 2.4307523 -0.0894590 0.1183662 0.3838973 2.3619360 0.7623002 -0.2360411 0.1541723 0.7178788 18 Al 2.4307523 0.0894590 0.1183662 -0.3838973 2.3619360 -0.7623002 -0.2360411 -0.1541723 0.7178788 19 Al 2.4307523 -0.0894590 0.1183662 0.3838973 2.3619360 0.7623002 -0.2360411 0.1541723 0.7178788 20 Al 2.4307523 0.0894590 0.1183662 -0.3838973 2.3619360 -0.7623002 -0.2360411 -0.1541723 0.7178788 21 Al 2.4359577 0.2165831 0.6750426 0.7047765 2.1173725 -0.7205109 0.3430211 -0.1085977 0.9599556 22 Al 2.4359577 -0.2165831 0.6750426 -0.7047765 2.1173725 0.7205109 0.3430211 0.1085977 0.9599556 23 Al 2.4359577 0.2165831 0.6750426 0.7047765 2.1173725 -0.7205109 0.3430211 -0.1085977 0.9599556 24 Al 2.4359577 -0.2165831 0.6750426 -0.7047765 2.1173725 0.7205109 0.3430211 0.1085977 0.9599556 25 Al 2.3765259 0.2575543 -0.0054697 0.0788453 2.5274981 -0.2377808 0.1664479 -0.0270845 0.6326979 26 Al 2.3765259 -0.2575543 -0.0054697 -0.0788453 2.5274981 0.2377808 0.1664479 0.0270845 0.6326979 27 Al 2.3765259 0.2575543 -0.0054697 0.0788453 2.5274981 -0.2377808 0.1664479 -0.0270845 0.6326979 28 Al 2.3765259 -0.2575543 -0.0054697 -0.0788453 2.5274981 0.2377808 0.1664479 0.0270845 0.6326979 29 Al 2.2492077 -0.1840398 -0.4669300 -0.1917729 2.2962239 0.1682985 -0.3588704 0.0437240 0.7578242 30 Al 2.2492077 0.1840398 -0.4669300 0.1917729 2.2962239 -0.1682985 -0.3588704 -0.0437240 0.7578242 31 Al 2.2492077 -0.1840398 -0.4669300 -0.1917729 2.2962239 0.1682985 -0.3588704 0.0437240 0.7578242 32 Al 2.2492077 0.1840398 -0.4669300 0.1917729 2.2962239 -0.1682985 -0.3588704 -0.0437240 0.7578242 33 As -2.7658848 0.1553012 -0.3197518 0.1016970 -2.8446585 -0.0524049 -0.2248338 -0.0340098 -1.2653829 34 As -2.7658848 -0.1553012 -0.3197518 -0.1016970 -2.8446585 0.0524049 -0.2248338 0.0340098 -1.2653829 35 As -2.7658848 0.1553012 -0.3197518 0.1016970 -2.8446585 -0.0524049 -0.2248338 -0.0340098 -1.2653829 36 As -2.7658848 -0.1553012 -0.3197518 -0.1016970 -2.8446585 0.0524049 -0.2248338 0.0340098 -1.2653829 37 As -2.6192179 0.0495488 -0.0002778 -0.0791521 -2.5606294 0.0294071 0.2977186 0.1607954 -2.1314554 38 As -2.6192179 -0.0495488 -0.0002778 0.0791521 -2.5606294 -0.0294071 0.2977186 -0.1607954 -2.1314554 39 As -2.6192179 0.0495488 -0.0002778 -0.0791521 -2.5606294 0.0294071 0.2977186 0.1607954 -2.1314554 40 As -2.6192179 -0.0495488 -0.0002778 0.0791521 -2.5606294 -0.0294071 0.2977186 -0.1607954 -2.1314554 41 As -2.5257928 -0.0469515 -0.0964794 0.1716998 -3.0952450 0.3836133 -0.2060285 0.2778117 -1.9759415 42 As -2.5257928 0.0469515 -0.0964794 -0.1716998 -3.0952450 -0.3836133 -0.2060285 -0.2778117 -1.9759415 43 As -2.5257928 -0.0469515 -0.0964794 0.1716998 -3.0952450 0.3836133 -0.2060285 0.2778117 -1.9759415 44 As -2.5257928 0.0469515 -0.0964794 -0.1716998 -3.0952450 -0.3836133 -0.2060285 -0.2778117 -1.9759415 45 As -1.7616202 0.0138252 -0.1448832 -0.2862103 -1.5314686 -0.2523416 -0.0428742 0.1086219 -1.5943304 46 As -1.7616202 -0.0138252 -0.1448832 0.2862103 -1.5314686 0.2523416 -0.0428742 -0.1086219 -1.5943304 47 As -1.7616202 0.0138252 -0.1448832 -0.2862103 -1.5314686 -0.2523416 -0.0428742 0.1086219 -1.5943304 48 As -1.7616202 -0.0138252 -0.1448832 0.2862103 -1.5314686 0.2523416 -0.0428742 -0.1086219 -1.5943304 49 As -2.8325835 -0.2773391 0.2450633 -0.2680898 -2.5797157 -0.1353421 0.2133019 -0.0458534 -1.4102357 50 As -2.8325835 0.2773391 0.2450633 0.2680898 -2.5797157 0.1353421 0.2133019 0.0458534 -1.4102357 51 As -2.8325835 -0.2773391 0.2450633 -0.2680898 -2.5797157 -0.1353421 0.2133019 -0.0458534 -1.4102357 52 As -2.8325835 0.2773391 0.2450633 0.2680898 -2.5797157 0.1353421 0.2133019 0.0458534 -1.4102357 53 As -1.8645234 -0.0445162 -0.0229135 0.0482665 -1.2034835 0.1148665 0.0010471 -0.2350786 -1.6282703 54 As -1.8645234 0.0445162 -0.0229135 -0.0482665 -1.2034835 -0.1148665 0.0010471 0.2350786 -1.6282703 55 As -1.8645234 -0.0445162 -0.0229135 0.0482665 -1.2034835 0.1148665 0.0010471 -0.2350786 -1.6282703 56 As -1.8645234 0.0445162 -0.0229135 -0.0482665 -1.2034835 -0.1148665 0.0010471 0.2350786 -1.6282703----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 4 8 3 ]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: 0.39, Number of G-points: 305, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/35) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.972 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.296 ( 0.000 0.000 0.000) 0.000 1.381 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.496 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.881 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.174 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.302 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.915 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 9.980 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.136 ( 0.000 0.000 0.000) 0.000 10.153 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 10.398 ( 0.000 0.000 0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 10.482 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.583 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.881 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 11.164 ( 0.000 0.000 0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/35) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( 22.058 0.000 7.552) 23.315 0.474 ( 23.881 0.000 0.958) 23.900 0.861 ( 42.196 0.000 -0.258) 42.197 1.098 ( 11.485 0.000 -1.913) 11.643 1.179 ( -8.951 0.000 -0.588) 8.970 1.300 ( 9.717 0.000 1.366) 9.812 1.305 ( -19.904 0.000 -2.535) 20.064 1.381 ( -0.016 0.000 2.124) 2.124 1.584 ( -1.462 0.000 0.932) 1.734 1.585 ( -1.729 0.000 -2.837) 3.323 1.682 ( -3.628 0.000 1.206) 3.823 1.747 ( -13.215 0.000 0.242) 13.218 1.780 ( -6.297 0.000 -0.130) 6.298 1.867 ( -8.092 0.000 -4.208) 9.121 1.971 ( 0.709 0.000 -0.351) 0.792 2.025 ( 5.429 0.000 0.806) 5.489 2.108 ( 10.764 0.000 -0.489) 10.775 2.190 ( -2.606 0.000 -1.151) 2.848 2.207 ( 2.761 0.000 -2.871) 3.984 2.269 ( -8.089 0.000 -0.817) 8.130 2.275 ( 2.321 0.000 0.651) 2.410 2.319 ( 5.377 0.000 -2.110) 5.776 2.417 ( 7.382 0.000 4.122) 8.455 2.420 ( 0.055 0.000 -0.004) 0.055 2.509 ( 3.578 0.000 1.240) 3.787 2.560 ( -4.580 0.000 2.265) 5.110 2.584 ( 2.826 0.000 0.226) 2.835 2.599 ( -2.943 0.000 3.750) 4.767 2.653 ( -0.163 0.000 1.301) 1.312 2.670 ( 0.476 0.000 -0.648) 0.804 2.706 ( 3.666 0.000 -0.349) 3.682 2.753 ( 0.191 0.000 -0.448) 0.487 2.861 ( -1.572 0.000 -1.304) 2.043 2.869 ( 3.210 0.000 0.722) 3.290 2.872 ( -7.980 0.000 0.026) 7.980 2.883 ( -0.942 0.000 -1.684) 1.929 2.947 ( -0.220 0.000 -0.021) 0.221 2.950 ( 1.098 0.000 -0.060) 1.100 2.978 ( -2.699 0.000 1.690) 3.184 3.025 ( -1.872 0.000 0.543) 1.949 3.085 ( -2.295 0.000 2.559) 3.437 3.125 ( -2.517 0.000 -0.725) 2.620 3.137 ( -0.623 0.000 -0.197) 0.654 3.191 ( 1.348 0.000 -0.960) 1.655 3.209 ( 0.641 0.000 1.972) 2.073 3.223 ( 3.916 0.000 -1.827) 4.321 3.282 ( -1.542 0.000 -7.241) 7.403 3.284 ( -1.274 0.000 -0.289) 1.306 3.321 ( -1.362 0.000 -3.017) 3.310 3.336 ( -1.454 0.000 -3.827) 4.094 3.432 ( -4.204 0.000 -0.459) 4.229 3.443 ( 1.366 0.000 0.259) 1.391 3.448 ( 2.037 0.000 5.738) 6.089 3.490 ( 3.595 0.000 2.398) 4.321 3.497 ( -6.425 0.000 1.439) 6.584 3.515 ( 0.491 0.000 -0.730) 0.880 3.529 ( 0.636 0.000 4.066) 4.115 3.590 ( -1.737 0.000 4.224) 4.567 3.621 ( 1.949 0.000 -2.244) 2.972 3.640 ( -4.427 0.000 -0.082) 4.427 3.676 ( 4.608 0.000 2.010) 5.027 3.690 ( -4.853 0.000 -4.858) 6.867 3.758 ( 2.336 0.000 -1.038) 2.557 3.782 ( -1.078 0.000 0.453) 1.169 3.821 ( -3.285 0.000 -2.874) 4.364 3.825 ( -1.811 0.000 0.457) 1.868 3.898 ( 1.299 0.000 -0.024) 1.299 3.915 ( 0.495 0.000 -0.377) 0.622 3.927 ( 3.014 0.000 -1.384) 3.317 3.956 ( -3.106 0.000 1.289) 3.363 4.045 ( 2.218 0.000 3.627) 4.251 4.047 ( -4.348 0.000 0.974) 4.456 4.078 ( -3.063 0.000 -1.899) 3.604 4.142 ( -0.277 0.000 0.623) 0.682 4.171 ( -3.580 0.000 -1.230) 3.785 4.175 ( 0.555 0.000 1.343) 1.453 4.225 ( 3.897 0.000 -4.357) 5.846 4.245 ( 3.105 0.000 -0.744) 3.193 4.286 ( 0.773 0.000 1.676) 1.846 4.321 ( -2.731 0.000 0.086) 2.732 4.382 ( -0.218 0.000 -0.485) 0.532 4.420 ( 1.512 0.000 -2.992) 3.353 4.451 ( -0.904 0.000 2.561) 2.716 4.480 ( -2.439 0.000 -2.651) 3.602 4.523 ( -0.548 0.000 2.433) 2.494 4.568 ( 1.958 0.000 0.864) 2.140 4.644 ( -3.440 0.000 0.922) 3.562 4.701 ( 3.455 0.000 1.151) 3.642 4.736 ( -0.046 0.000 -2.859) 2.860 4.738 ( 0.429 0.000 -0.671) 0.797 4.829 ( 3.275 0.000 0.016) 3.275 4.885 ( 2.651 0.000 -2.135) 3.404 4.906 ( -7.387 0.000 -0.424) 7.400 4.935 ( 3.145 0.000 -1.607) 3.531 5.050 ( -1.218 0.000 -2.060) 2.393 5.121 ( -1.910 0.000 -3.086) 3.630 5.122 ( 3.143 0.000 5.656) 6.471 5.158 ( -0.667 0.000 -0.101) 0.675 5.215 ( -2.576 0.000 4.502) 5.186 5.218 ( 3.087 0.000 0.442) 3.119 5.388 ( 1.528 0.000 4.417) 4.674 5.438 ( 1.223 0.000 1.488) 1.926 5.451 ( 3.424 0.000 0.771) 3.510 5.484 ( 0.208 0.000 -0.580) 0.616 5.501 ( 2.885 0.000 -0.357) 2.907 5.511 ( 5.754 0.000 -0.009) 5.754 5.566 ( -2.572 0.000 -2.977) 3.934 5.623 ( -5.303 0.000 4.078) 6.690 5.758 ( 4.332 0.000 1.546) 4.600 5.847 ( -1.240 0.000 -0.591) 1.373 5.865 ( 0.899 0.000 -3.251) 3.373 5.970 ( -5.006 0.000 -2.642) 5.660 6.122 ( 5.083 0.000 -3.103) 5.956 6.186 ( -5.064 0.000 3.190) 5.985 6.289 ( 0.419 0.000 -1.290) 1.356 6.341 ( -2.402 0.000 0.897) 2.564 6.561 ( 0.732 0.000 -0.233) 0.768 6.631 ( -1.228 0.000 1.105) 1.652 6.708 ( 1.210 0.000 -1.444) 1.884 6.775 ( -1.770 0.000 0.923) 1.996 7.811 ( 0.659 0.000 -0.387) 0.764 7.828 ( -0.329 0.000 0.313) 0.454 7.856 ( -1.111 0.000 0.376) 1.173 7.888 ( -0.085 0.000 -0.460) 0.468 7.967 ( 1.163 0.000 -0.294) 1.199 8.007 ( 0.056 0.000 0.194) 0.202 8.018 ( -0.019 0.000 0.007) 0.020 8.025 ( -0.368 0.000 0.243) 0.441 8.821 ( 1.159 0.000 0.415) 1.231 8.834 ( 0.912 0.000 -0.967) 1.329 8.923 ( 1.691 0.000 -0.198) 1.702 8.948 ( 1.430 0.000 0.351) 1.472 9.029 ( -0.297 0.000 -0.081) 0.308 9.060 ( 1.070 0.000 -0.014) 1.070 9.125 ( 0.085 0.000 -0.203) 0.220 9.166 ( -0.997 0.000 0.249) 1.027 9.209 ( -3.249 0.000 -0.400) 3.274 9.230 ( 0.185 0.000 -0.243) 0.305 9.313 ( 1.561 0.000 -0.024) 1.561 9.327 ( 1.404 0.000 0.020) 1.404 9.532 ( 3.385 0.000 0.614) 3.440 9.727 ( -0.928 0.000 -0.752) 1.195 9.802 ( 1.033 0.000 -0.014) 1.033 9.812 ( 1.696 0.000 0.418) 1.746 9.863 ( 1.222 0.000 -0.024) 1.223 9.919 ( 0.442 0.000 -0.117) 0.457 9.927 ( -0.243 0.000 0.197) 0.313 9.967 ( -1.084 0.000 -0.192) 1.100 10.025 ( -3.409 0.000 -0.838) 3.511 10.054 ( -2.383 0.000 -1.214) 2.674 10.109 ( -0.330 0.000 0.668) 0.746 10.158 ( -1.876 0.000 0.423) 1.923 10.203 ( -0.221 0.000 0.176) 0.282 10.251 ( 4.586 0.000 -0.336) 4.599 10.336 ( -0.959 0.000 -0.927) 1.333 10.347 ( -0.735 0.000 0.908) 1.168 10.519 ( -0.292 0.000 0.133) 0.320 10.522 ( 2.085 0.000 -4.023) 4.531 10.555 ( -1.212 0.000 0.211) 1.230 10.603 ( -0.249 0.000 -2.508) 2.521 10.623 ( 3.574 0.000 2.187) 4.190 10.669 ( 4.759 0.000 -0.415) 4.777 10.874 ( -0.646 0.000 0.249) 0.692 10.916 ( -4.915 0.000 6.502) 8.151 11.150 ( -0.831 0.000 0.367) 0.908 11.153 ( -4.592 0.000 0.422) 4.611 11.251 ( 1.400 0.000 0.289) 1.430 11.289 ( 1.664 0.000 -0.530) 1.746======================= Grid point 2 (3/35) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.796 ( 0.000 0.000 0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 0.904 ( -0.000 0.000 -0.000) 0.000 0.915 ( -0.000 0.000 -0.000) 0.000 1.302 ( 0.000 0.000 -0.000) 0.000 1.396 ( 0.000 0.000 -0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.532 ( -0.000 0.000 -0.000) 0.000 1.574 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 -0.000) 0.000 1.629 ( 0.000 0.000 -0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.779 ( -0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 -0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 -0.000) 0.000 2.299 ( 0.000 0.000 -0.000) 0.000 2.398 ( 0.000 0.000 -0.000) 0.000 2.418 ( 0.000 0.000 -0.000) 0.000 2.458 ( -0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 -0.000) 0.000 2.499 ( 0.000 0.000 -0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.600 ( -0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.697 ( -0.000 0.000 -0.000) 0.000 2.711 ( 0.000 0.000 -0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 -0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 -0.000) 0.000 3.010 ( -0.000 0.000 -0.000) 0.000 3.043 ( 0.000 0.000 -0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 -0.000) 0.000 3.145 ( 0.000 0.000 -0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 -0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 -0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 -0.000) 0.000 3.335 ( -0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 -0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 -0.000) 0.000 3.494 ( 0.000 0.000 -0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.538 ( -0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 -0.000) 0.000 3.587 ( -0.000 0.000 -0.000) 0.000 3.601 ( -0.000 0.000 -0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.744 ( -0.000 0.000 -0.000) 0.000 3.765 ( 0.000 0.000 -0.000) 0.000 3.806 ( 0.000 0.000 -0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 -0.000) 0.000 3.974 ( 0.000 0.000 -0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 -0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.168 ( -0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 -0.000) 0.000 4.282 ( -0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 -0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 -0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 -0.000) 0.000 4.494 ( 0.000 0.000 -0.000) 0.000 4.598 ( 0.000 0.000 -0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.831 ( -0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 -0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.108 ( -0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 -0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 -0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.430 ( -0.000 0.000 -0.000) 0.000 5.475 ( 0.000 0.000 -0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.530 ( 0.000 0.000 -0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.845 ( -0.000 0.000 -0.000) 0.000 5.914 ( 0.000 0.000 -0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.258 ( 0.000 0.000 -0.000) 0.000 6.260 ( -0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 -0.000) 0.000 6.572 ( 0.000 0.000 -0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 -0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 -0.000) 0.000 7.824 ( 0.000 0.000 -0.000) 0.000 7.838 ( -0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 -0.000) 0.000 7.984 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 -0.000) 0.000 8.018 ( 0.000 0.000 -0.000) 0.000 8.834 ( 0.000 0.000 -0.000) 0.000 8.845 ( 0.000 0.000 -0.000) 0.000 8.946 ( 0.000 0.000 -0.000) 0.000 8.968 ( 0.000 0.000 -0.000) 0.000 9.028 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 -0.000) 0.000 9.122 ( 0.000 0.000 -0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 -0.000) 0.000 9.230 ( 0.000 0.000 -0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 -0.000) 0.000 9.589 ( 0.000 0.000 0.000) 0.000 9.708 ( 0.000 0.000 0.000) 0.000 9.815 ( 0.000 0.000 0.000) 0.000 9.838 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.931 ( -0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 -0.000) 0.000 10.124 ( 0.000 0.000 -0.000) 0.000 10.135 ( 0.000 0.000 -0.000) 0.000 10.160 ( 0.000 0.000 -0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.351 ( 0.000 0.000 -0.000) 0.000 10.362 ( 0.000 0.000 -0.000) 0.000 10.495 ( 0.000 0.000 0.000) 0.000 10.523 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 -0.000) 0.000 10.711 ( 0.000 0.000 -0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 10.832 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 -0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.266 ( 0.000 0.000 -0.000) 0.000 11.304 ( 0.000 0.000 -0.000) 0.000======================= Grid point 5 (4/35) =======================q-point: ( 0.00 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.380 ( 0.000 20.813 0.000) 20.813 0.462 ( 0.000 23.839 0.000) 23.839 0.767 ( 0.000 37.601 0.000) 37.601 1.144 ( 0.000 10.459 0.000) 10.459 1.236 ( 0.000 7.638 0.000) 7.638 1.353 ( 0.000 6.145 0.000) 6.145 1.426 ( 0.000 8.551 0.000) 8.551 1.569 ( 0.000 -2.764 0.000) 2.764 1.638 ( 0.000 2.543 0.000) 2.543 1.704 ( 0.000 6.447 0.000) 6.447 1.746 ( 0.000 1.307 0.000) 1.307 1.840 ( 0.000 3.595 0.000) 3.595 1.849 ( 0.000 0.647 0.000) 0.647 1.926 ( 0.000 -3.340 0.000) 3.340 1.956 ( 0.000 -1.010 0.000) 1.010 1.971 ( 0.000 0.667 0.000) 0.667 1.983 ( 0.000 3.392 0.000) 3.392 2.153 ( 0.000 -6.722 0.000) 6.722 2.200 ( 0.000 4.399 0.000) 4.399 2.270 ( 0.000 -3.611 0.000) 3.611 2.338 ( 0.000 3.582 0.000) 3.582 2.347 ( 0.000 3.439 0.000) 3.439 2.420 ( 0.000 -3.443 0.000) 3.443 2.436 ( 0.000 1.402 0.000) 1.402 2.520 ( 0.000 -2.757 0.000) 2.757 2.534 ( 0.000 0.067 0.000) 0.067 2.543 ( 0.000 -2.518 0.000) 2.518 2.607 ( 0.000 -2.966 0.000) 2.966 2.643 ( 0.000 1.779 0.000) 1.779 2.676 ( 0.000 3.179 0.000) 3.179 2.720 ( 0.000 3.489 0.000) 3.489 2.777 ( 0.000 2.303 0.000) 2.303 2.826 ( 0.000 3.501 0.000) 3.501 2.846 ( 0.000 -1.148 0.000) 1.148 2.909 ( 0.000 -0.962 0.000) 0.962 2.928 ( 0.000 -1.114 0.000) 1.114 2.971 ( 0.000 -1.205 0.000) 1.205 3.021 ( 0.000 -3.166 0.000) 3.166 3.028 ( 0.000 -1.333 0.000) 1.333 3.080 ( 0.000 -2.016 0.000) 2.016 3.090 ( 0.000 -2.638 0.000) 2.638 3.139 ( 0.000 0.190 0.000) 0.190 3.140 ( 0.000 -3.086 0.000) 3.086 3.154 ( 0.000 1.334 0.000) 1.334 3.216 ( 0.000 2.788 0.000) 2.788 3.243 ( 0.000 -2.979 0.000) 2.979 3.249 ( 0.000 2.420 0.000) 2.420 3.319 ( 0.000 0.077 0.000) 0.077 3.334 ( 0.000 -6.445 0.000) 6.445 3.353 ( 0.000 -1.245 0.000) 1.245 3.356 ( 0.000 -6.585 0.000) 6.585 3.414 ( 0.000 -1.158 0.000) 1.158 3.444 ( 0.000 -2.498 0.000) 2.498 3.446 ( 0.000 0.463 0.000) 0.463 3.483 ( 0.000 -1.882 0.000) 1.882 3.489 ( 0.000 3.870 0.000) 3.870 3.529 ( 0.000 -4.306 0.000) 4.306 3.574 ( 0.000 3.453 0.000) 3.453 3.609 ( 0.000 0.075 0.000) 0.075 3.613 ( 0.000 2.210 0.000) 2.210 3.647 ( 0.000 -4.530 0.000) 4.530 3.761 ( 0.000 -1.166 0.000) 1.166 3.779 ( 0.000 0.623 0.000) 0.623 3.812 ( 0.000 1.982 0.000) 1.982 3.830 ( 0.000 -0.720 0.000) 0.720 3.841 ( 0.000 -0.427 0.000) 0.427 3.848 ( 0.000 -0.971 0.000) 0.971 3.884 ( 0.000 -0.214 0.000) 0.214 3.903 ( 0.000 -0.461 0.000) 0.461 3.949 ( 0.000 -4.121 0.000) 4.121 3.991 ( 0.000 -2.013 0.000) 2.013 4.071 ( 0.000 -3.624 0.000) 3.624 4.099 ( 0.000 -2.823 0.000) 2.823 4.133 ( 0.000 1.342 0.000) 1.342 4.151 ( 0.000 1.589 0.000) 1.589 4.208 ( 0.000 -1.899 0.000) 1.899 4.215 ( 0.000 1.617 0.000) 1.617 4.250 ( 0.000 0.933 0.000) 0.933 4.262 ( 0.000 -1.726 0.000) 1.726 4.342 ( 0.000 -2.116 0.000) 2.116 4.391 ( 0.000 -3.310 0.000) 3.310 4.409 ( 0.000 0.663 0.000) 0.663 4.432 ( 0.000 0.739 0.000) 0.739 4.491 ( 0.000 -0.350 0.000) 0.350 4.518 ( 0.000 0.329 0.000) 0.329 4.545 ( 0.000 -1.663 0.000) 1.663 4.642 ( 0.000 0.843 0.000) 0.843 4.659 ( 0.000 -0.555 0.000) 0.555 4.711 ( 0.000 2.752 0.000) 2.752 4.731 ( 0.000 -1.204 0.000) 1.204 4.805 ( 0.000 0.860 0.000) 0.860 4.874 ( 0.000 3.352 0.000) 3.352 4.958 ( 0.000 6.368 0.000) 6.368 5.022 ( 0.000 -2.795 0.000) 2.795 5.056 ( 0.000 -0.507 0.000) 0.507 5.085 ( 0.000 1.184 0.000) 1.184 5.151 ( 0.000 -0.446 0.000) 0.446 5.163 ( 0.000 -0.467 0.000) 0.467 5.176 ( 0.000 1.066 0.000) 1.066 5.232 ( 0.000 -2.131 0.000) 2.131 5.344 ( 0.000 -1.930 0.000) 1.930 5.383 ( 0.000 -1.227 0.000) 1.227 5.387 ( 0.000 1.385 0.000) 1.385 5.459 ( 0.000 1.448 0.000) 1.448 5.497 ( 0.000 -0.863 0.000) 0.863 5.499 ( 0.000 2.557 0.000) 2.557 5.577 ( 0.000 -2.909 0.000) 2.909 5.676 ( 0.000 0.692 0.000) 0.692 5.705 ( 0.000 -1.003 0.000) 1.003 5.821 ( 0.000 -1.181 0.000) 1.181 5.851 ( 0.000 -0.887 0.000) 0.887 5.931 ( 0.000 -2.213 0.000) 2.213 6.070 ( 0.000 -4.809 0.000) 4.809 6.261 ( 0.000 -0.993 0.000) 0.993 6.261 ( 0.000 0.988 0.000) 0.988 6.356 ( 0.000 -0.525 0.000) 0.525 6.562 ( 0.000 0.867 0.000) 0.867 6.643 ( 0.000 0.114 0.000) 0.114 6.691 ( 0.000 0.393 0.000) 0.393 6.787 ( 0.000 -0.700 0.000) 0.700 7.805 ( 0.000 -0.604 0.000) 0.604 7.827 ( 0.000 -0.498 0.000) 0.498 7.871 ( 0.000 0.174 0.000) 0.174 7.877 ( 0.000 -0.536 0.000) 0.536 7.931 ( 0.000 -1.004 0.000) 1.004 7.951 ( 0.000 -0.648 0.000) 0.648 7.996 ( 0.000 -1.126 0.000) 1.126 8.003 ( 0.000 -2.360 0.000) 2.360 8.824 ( 0.000 2.334 0.000) 2.334 8.837 ( 0.000 2.733 0.000) 2.733 8.909 ( 0.000 -0.221 0.000) 0.221 8.935 ( 0.000 0.101 0.000) 0.101 8.981 ( 0.000 2.066 0.000) 2.066 9.054 ( 0.000 1.845 0.000) 1.845 9.141 ( 0.000 1.406 0.000) 1.406 9.197 ( 0.000 3.237 0.000) 3.237 9.240 ( 0.000 1.833 0.000) 1.833 9.257 ( 0.000 0.167 0.000) 0.167 9.354 ( 0.000 4.927 0.000) 4.927 9.489 ( 0.000 0.062 0.000) 0.062 9.507 ( 0.000 0.786 0.000) 0.786 9.568 ( 0.000 -1.412 0.000) 1.412 9.741 ( 0.000 -1.059 0.000) 1.059 9.777 ( 0.000 -1.506 0.000) 1.506 9.819 ( 0.000 -0.307 0.000) 0.307 9.845 ( 0.000 -0.375 0.000) 0.375 9.891 ( 0.000 -1.625 0.000) 1.625 9.940 ( 0.000 -0.411 0.000) 0.411 10.037 ( 0.000 -0.734 0.000) 0.734 10.101 ( 0.000 1.975 0.000) 1.975 10.148 ( 0.000 1.188 0.000) 1.188 10.161 ( 0.000 0.685 0.000) 0.685 10.178 ( 0.000 0.159 0.000) 0.159 10.238 ( 0.000 0.163 0.000) 0.163 10.362 ( 0.000 -1.035 0.000) 1.035 10.467 ( 0.000 -1.513 0.000) 1.513 10.500 ( 0.000 5.967 0.000) 5.967 10.508 ( 0.000 5.074 0.000) 5.074 10.619 ( 0.000 3.677 0.000) 3.677 10.658 ( 0.000 3.897 0.000) 3.897 10.662 ( 0.000 3.735 0.000) 3.735 10.771 ( 0.000 4.045 0.000) 4.045 10.891 ( 0.000 -0.080 0.000) 0.080 10.925 ( 0.000 0.568 0.000) 0.568 11.144 ( 0.000 -1.781 0.000) 1.781 11.189 ( 0.000 -2.803 0.000) 2.803 11.242 ( 0.000 -0.437 0.000) 0.437 11.291 ( 0.000 -2.231 0.000) 2.231======================= Grid point 6 (5/35) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.571 ( 16.479 14.908 2.978) 22.420 0.715 ( 17.101 18.088 -1.515) 24.938 1.083 ( 27.647 20.075 2.011) 34.226 1.212 ( 6.456 6.769 -2.737) 9.747 1.265 ( -7.705 8.792 0.008) 11.691 1.316 ( 3.928 4.273 0.182) 5.807 1.363 ( -16.109 6.749 0.195) 17.467 1.457 ( 1.009 6.374 5.835) 8.700 1.555 ( -1.140 -1.531 -3.611) 4.085 1.608 ( -2.035 3.641 -0.985) 4.286 1.714 ( -5.330 1.988 1.286) 5.832 1.742 ( -11.490 1.674 -2.550) 11.888 1.832 ( -4.112 3.477 -1.286) 5.537 1.859 ( -2.154 -0.638 0.118) 2.250 2.006 ( 2.773 2.788 0.570) 3.973 2.068 ( 5.315 4.666 0.375) 7.082 2.151 ( 12.450 4.096 -0.832) 13.133 2.180 ( -3.030 -1.551 -1.079) 3.571 2.226 ( -0.097 0.165 -0.504) 0.539 2.280 ( 5.966 0.766 -0.104) 6.016 2.313 ( 1.548 2.004 -2.328) 3.440 2.354 ( -1.448 0.793 -0.683) 1.787 2.386 ( 1.359 1.310 0.098) 1.890 2.468 ( -1.394 -3.117 3.237) 4.705 2.500 ( -1.038 3.360 0.899) 3.630 2.527 ( -0.557 -2.757 -0.730) 2.905 2.568 ( 3.717 -0.575 0.731) 3.832 2.631 ( -0.667 0.294 1.785) 1.928 2.635 ( 0.699 -1.124 -0.545) 1.431 2.681 ( -0.338 0.385 0.916) 1.049 2.699 ( -0.748 1.098 -1.580) 2.065 2.768 ( 0.846 1.295 1.653) 2.264 2.820 ( -2.807 -2.953 -1.578) 4.369 2.867 ( -4.232 1.508 2.223) 5.012 2.870 ( -4.938 -0.989 -1.052) 5.144 2.897 ( 0.374 0.054 0.462) 0.597 2.912 ( -1.753 -0.304 0.157) 1.786 2.953 ( -0.647 0.330 1.547) 1.709 3.019 ( -0.601 -0.729 -1.119) 1.464 3.061 ( -5.668 0.361 1.853) 5.974 3.079 ( 0.297 -2.278 1.702) 2.859 3.110 ( -2.577 -1.936 -1.180) 3.432 3.140 ( -1.345 -0.002 1.698) 2.166 3.165 ( -0.963 -1.897 -0.557) 2.199 3.194 ( -2.309 0.348 -0.652) 2.425 3.221 ( 4.143 0.080 -4.400) 6.044 3.236 ( 0.423 -0.084 -1.334) 1.402 3.280 ( -0.916 -0.169 -0.127) 0.940 3.317 ( -0.521 -2.288 -0.899) 2.513 3.346 ( -1.929 -1.501 0.477) 2.490 3.379 ( 0.615 -3.573 -0.074) 3.626 3.404 ( -0.949 -1.979 -2.862) 3.607 3.424 ( 1.812 -0.629 1.399) 2.374 3.465 ( -2.411 -2.851 0.446) 3.760 3.492 ( 1.355 0.581 -0.898) 1.727 3.513 ( 2.937 -1.155 2.980) 4.340 3.560 ( -1.342 0.600 3.042) 3.379 3.587 ( -2.100 0.282 3.347) 3.961 3.613 ( -2.605 -1.826 -1.922) 3.717 3.631 ( 3.356 -1.604 2.057) 4.251 3.654 ( -0.053 -0.010 -1.351) 1.352 3.669 ( -0.588 -0.885 -3.385) 3.548 3.711 ( -2.176 -2.290 1.060) 3.332 3.800 ( -1.743 -0.508 -2.335) 2.958 3.827 ( 0.024 1.520 0.306) 1.550 3.851 ( -1.734 1.114 -1.290) 2.431 3.890 ( 1.146 -1.236 -1.412) 2.199 3.911 ( 3.140 -1.281 -0.014) 3.391 3.917 ( 2.515 0.155 1.024) 2.720 3.945 ( -2.730 -0.865 1.256) 3.127 4.004 ( -0.188 -3.085 2.730) 4.124 4.042 ( -1.782 -2.048 -0.084) 2.716 4.083 ( -1.091 0.146 -0.517) 1.216 4.128 ( -0.853 -1.755 1.771) 2.635 4.160 ( -3.671 -1.071 0.134) 3.827 4.176 ( 0.003 1.235 -0.019) 1.235 4.208 ( 1.191 -2.165 -0.578) 2.538 4.251 ( -0.489 -1.139 0.160) 1.250 4.283 ( 2.780 0.622 -3.487) 4.503 4.338 ( -3.777 0.554 -0.177) 3.821 4.348 ( 0.858 -4.091 -0.541) 4.215 4.389 ( 1.277 -0.462 -1.663) 2.147 4.427 ( -0.214 -0.500 -0.624) 0.828 4.477 ( -0.665 -0.965 1.439) 1.856 4.524 ( -1.035 0.944 1.443) 2.011 4.557 ( 2.064 0.238 0.138) 2.082 4.652 ( -3.060 -1.149 0.747) 3.353 4.695 ( 2.786 0.840 -2.740) 3.997 4.742 ( 3.052 1.150 1.760) 3.706 4.774 ( 0.100 1.533 -1.589) 2.210 4.832 ( 0.587 -0.266 -2.206) 2.299 4.876 ( -5.469 -1.483 1.303) 5.815 4.887 ( 1.771 0.078 -1.998) 2.671 4.979 ( 0.133 3.964 -2.417) 4.644 5.064 ( -0.299 1.206 -2.248) 2.569 5.099 ( 1.405 -0.661 3.902) 4.200 5.126 ( -0.845 0.035 -2.405) 2.549 5.175 ( -0.091 0.747 0.568) 0.943 5.198 ( 1.395 -0.566 1.568) 2.174 5.235 ( 0.360 0.723 3.193) 3.294 5.348 ( 2.438 -2.849 4.898) 6.168 5.417 ( 1.563 -1.945 1.329) 2.827 5.458 ( 3.340 -1.632 0.309) 3.731 5.491 ( 0.266 1.613 -1.256) 2.061 5.508 ( 4.704 -0.497 1.932) 5.110 5.515 ( 1.080 1.066 -1.017) 1.827 5.554 ( -1.562 0.127 -2.384) 2.853 5.642 ( -3.854 1.049 3.669) 5.423 5.747 ( 3.742 -1.118 1.414) 4.154 5.838 ( -0.516 -0.947 -0.775) 1.328 5.843 ( 1.945 -1.409 -2.584) 3.528 5.917 ( -5.106 -4.781 -1.983) 7.270 6.106 ( 6.480 -1.194 -3.826) 7.619 6.189 ( -5.067 0.184 2.633) 5.713 6.286 ( 0.500 -0.274 -1.156) 1.289 6.334 ( -2.560 -0.698 1.071) 2.862 6.569 ( 0.732 0.862 -0.276) 1.164 6.627 ( -0.994 -0.018 0.932) 1.362 6.710 ( 1.130 0.164 -1.200) 1.657 6.767 ( -1.767 -0.696 0.901) 2.102 7.810 ( 0.637 -0.270 -0.288) 0.749 7.829 ( 0.239 0.005 0.319) 0.399 7.858 ( -1.194 0.129 0.319) 1.243 7.878 ( -0.420 -0.914 -0.420) 1.090 7.956 ( 0.830 -1.134 -0.327) 1.443 7.968 ( 1.577 -3.181 0.261) 3.560 7.996 ( 0.006 -1.437 -0.223) 1.454 8.002 ( -0.151 -2.179 0.301) 2.205 8.845 ( 1.218 1.763 0.078) 2.144 8.860 ( 1.297 2.199 -0.199) 2.560 8.926 ( 1.524 -0.348 -0.166) 1.572 8.958 ( 2.173 0.831 0.192) 2.335 9.012 ( 1.726 0.286 -0.108) 1.753 9.071 ( 1.469 1.821 0.386) 2.371 9.132 ( -0.848 1.031 -0.365) 1.384 9.198 ( -0.931 3.631 0.211) 3.755 9.218 ( -2.738 1.033 0.075) 2.928 9.250 ( 0.416 1.831 -0.304) 1.902 9.346 ( 0.531 3.525 0.016) 3.565 9.415 ( -2.375 4.753 -0.062) 5.313 9.537 ( 3.568 0.622 0.544) 3.662 9.697 ( 2.857 -4.447 -0.915) 5.364 9.752 ( 2.475 -5.057 -0.527) 5.655 9.783 ( 0.618 -2.897 0.225) 2.970 9.811 ( 0.597 0.057 0.213) 0.637 9.852 ( -0.535 -1.753 0.009) 1.833 9.899 ( 0.882 -1.284 0.058) 1.559 9.983 ( 3.030 0.718 -0.428) 3.143 10.007 ( -2.865 -1.619 0.269) 3.302 10.051 ( -3.389 0.793 -0.635) 3.538 10.143 ( -0.878 2.047 0.523) 2.288 10.162 ( 0.860 2.356 0.203) 2.516 10.239 ( 3.939 -0.267 0.081) 3.949 10.266 ( 3.277 -0.807 -0.141) 3.378 10.345 ( -1.248 -0.020 0.841) 1.505 10.387 ( -6.386 4.695 -0.596) 7.949 10.519 ( -0.542 1.268 0.139) 1.386 10.543 ( 3.126 2.774 -1.453) 4.425 10.611 ( -1.268 3.375 -1.348) 3.849 10.668 ( 0.188 4.105 1.575) 4.401 10.676 ( 0.813 4.460 0.962) 4.634 10.710 ( 0.537 5.783 -2.211) 6.214 10.873 ( -2.982 -1.838 2.350) 4.218 10.908 ( -1.391 1.781 0.272) 2.276 11.112 ( -2.780 -1.261 0.202) 3.060 11.188 ( -0.433 -0.402 1.197) 1.335 11.228 ( -0.262 -1.240 -0.872) 1.539 11.292 ( 0.410 -1.126 0.054) 1.199======================= Grid point 7 (6/35) =======================q-point: (-0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( 0.000 11.402 0.000) 11.402 0.993 ( -0.000 7.866 -0.000) 7.866 1.020 ( 0.000 13.251 0.000) 13.251 1.043 ( -0.000 10.857 -0.000) 10.857 1.297 ( 0.000 0.252 -0.000) 0.252 1.443 ( 0.000 2.987 0.000) 2.987 1.459 ( -0.000 7.949 -0.000) 7.949 1.476 ( 0.000 -1.958 0.000) 1.958 1.558 ( 0.000 -0.079 0.000) 0.079 1.608 ( -0.000 5.154 -0.000) 5.154 1.665 ( 0.000 4.738 0.000) 4.738 1.691 ( 0.000 5.756 0.000) 5.756 1.703 ( 0.000 3.813 -0.000) 3.813 1.830 ( -0.000 5.035 -0.000) 5.035 1.918 ( 0.000 8.759 -0.000) 8.759 2.027 ( 0.000 4.365 0.000) 4.365 2.157 ( 0.000 6.273 -0.000) 6.273 2.265 ( 0.000 3.522 0.000) 3.522 2.295 ( 0.000 2.637 -0.000) 2.637 2.337 ( 0.000 1.833 -0.000) 1.833 2.384 ( 0.000 -0.963 0.000) 0.963 2.414 ( -0.000 -1.534 0.000) 1.534 2.414 ( 0.000 -4.731 -0.000) 4.731 2.447 ( 0.000 -2.793 -0.000) 2.793 2.489 ( 0.000 0.924 0.000) 0.924 2.552 ( 0.000 2.995 0.000) 2.995 2.573 ( -0.000 -0.724 -0.000) 0.724 2.583 ( 0.000 0.348 -0.000) 0.348 2.624 ( 0.000 -0.200 0.000) 0.200 2.667 ( 0.000 -0.818 -0.000) 0.818 2.705 ( 0.000 2.081 0.000) 2.081 2.720 ( 0.000 0.933 -0.000) 0.933 2.768 ( -0.000 -0.164 -0.000) 0.164 2.817 ( 0.000 0.483 0.000) 0.483 2.863 ( 0.000 -6.424 0.000) 6.424 2.891 ( 0.000 -0.725 -0.000) 0.725 2.907 ( 0.000 -1.012 0.000) 1.012 2.946 ( -0.000 1.908 -0.000) 1.908 2.988 ( 0.000 -0.904 0.000) 0.904 3.014 ( -0.000 -1.506 -0.000) 1.506 3.051 ( 0.000 -5.603 0.000) 5.603 3.104 ( 0.000 2.608 0.000) 2.608 3.124 ( 0.000 -4.430 0.000) 4.430 3.140 ( 0.000 -2.632 -0.000) 2.632 3.180 ( 0.000 1.729 -0.000) 1.729 3.225 ( 0.000 -1.311 0.000) 1.311 3.261 ( 0.000 -0.515 0.000) 0.515 3.307 ( 0.000 -0.457 -0.000) 0.457 3.340 ( 0.000 1.455 -0.000) 1.455 3.344 ( -0.000 -3.136 0.000) 3.136 3.382 ( 0.000 -4.481 -0.000) 4.481 3.390 ( -0.000 2.011 -0.000) 2.011 3.438 ( 0.000 -2.298 0.000) 2.298 3.456 ( 0.000 -4.670 -0.000) 4.670 3.462 ( -0.000 2.422 0.000) 2.422 3.552 ( 0.000 -2.957 -0.000) 2.957 3.557 ( 0.000 2.088 0.000) 2.088 3.568 ( -0.000 -1.167 -0.000) 1.167 3.569 ( 0.000 -0.988 0.000) 0.988 3.606 ( 0.000 1.246 0.000) 1.246 3.639 ( 0.000 1.026 -0.000) 1.026 3.713 ( 0.000 0.573 -0.000) 0.573 3.716 ( 0.000 -5.301 0.000) 5.301 3.784 ( -0.000 -1.086 0.000) 1.086 3.828 ( 0.000 3.794 -0.000) 3.794 3.841 ( 0.000 0.446 -0.000) 0.446 3.879 ( 0.000 -0.678 -0.000) 0.678 3.930 ( 0.000 -1.923 0.000) 1.923 3.940 ( 0.000 -3.062 -0.000) 3.062 3.948 ( -0.000 1.804 0.000) 1.804 3.950 ( 0.000 -0.208 0.000) 0.208 4.048 ( 0.000 -0.631 0.000) 0.631 4.062 ( 0.000 -0.150 -0.000) 0.150 4.113 ( 0.000 -1.879 -0.000) 1.879 4.120 ( 0.000 -0.906 0.000) 0.906 4.167 ( 0.000 0.507 0.000) 0.507 4.234 ( 0.000 -2.771 -0.000) 2.771 4.252 ( 0.000 -3.362 0.000) 3.362 4.288 ( 0.000 -1.310 0.000) 1.310 4.322 ( 0.000 -3.113 -0.000) 3.113 4.361 ( 0.000 -0.936 0.000) 0.936 4.436 ( 0.000 -0.304 0.000) 0.304 4.439 ( 0.000 -2.049 -0.000) 2.049 4.476 ( 0.000 4.164 -0.000) 4.164 4.485 ( -0.000 -0.585 -0.000) 0.585 4.590 ( 0.000 0.310 -0.000) 0.310 4.595 ( 0.000 -1.337 0.000) 1.337 4.696 ( 0.000 1.324 0.000) 1.324 4.758 ( 0.000 -1.719 0.000) 1.719 4.764 ( 0.000 4.137 -0.000) 4.137 4.808 ( 0.000 -2.206 0.000) 2.206 4.869 ( 0.000 1.734 -0.000) 1.734 4.883 ( 0.000 -0.181 0.000) 0.181 5.019 ( 0.000 0.294 0.000) 0.294 5.074 ( 0.000 1.672 0.000) 1.672 5.104 ( 0.000 -0.328 -0.000) 0.328 5.147 ( 0.000 -0.329 0.000) 0.329 5.155 ( -0.000 -0.041 -0.000) 0.041 5.203 ( 0.000 1.478 0.000) 1.478 5.250 ( 0.000 -0.537 -0.000) 0.537 5.389 ( 0.000 -3.104 0.000) 3.104 5.422 ( 0.000 -0.496 -0.000) 0.496 5.493 ( 0.000 -1.669 -0.000) 1.669 5.501 ( -0.000 -1.160 -0.000) 1.160 5.517 ( 0.000 -0.069 0.000) 0.069 5.529 ( -0.000 2.828 -0.000) 2.828 5.546 ( 0.000 1.772 0.000) 1.772 5.654 ( 0.000 -0.419 0.000) 0.419 5.769 ( 0.000 -1.266 0.000) 1.266 5.795 ( -0.000 -4.650 -0.000) 4.650 5.845 ( 0.000 0.754 0.000) 0.754 5.905 ( 0.000 -0.767 -0.000) 0.767 6.113 ( 0.000 0.327 0.000) 0.327 6.240 ( 0.000 -1.892 -0.000) 1.892 6.256 ( -0.000 -0.220 0.000) 0.220 6.289 ( 0.000 -0.329 -0.000) 0.329 6.580 ( 0.000 0.819 -0.000) 0.819 6.617 ( 0.000 0.007 0.000) 0.007 6.721 ( 0.000 0.072 -0.000) 0.072 6.743 ( 0.000 -0.624 0.000) 0.624 7.824 ( 0.000 0.417 -0.000) 0.417 7.830 ( 0.000 -0.787 0.000) 0.787 7.840 ( -0.000 1.027 0.000) 1.027 7.872 ( 0.000 -1.531 -0.000) 1.531 7.967 ( 0.000 -1.839 0.000) 1.839 7.982 ( 0.000 -2.402 0.000) 2.402 7.993 ( 0.000 -2.192 -0.000) 2.192 8.001 ( 0.000 -1.624 -0.000) 1.624 8.857 ( 0.000 1.714 -0.000) 1.714 8.872 ( 0.000 2.015 0.000) 2.015 8.947 ( 0.000 -0.755 -0.000) 0.755 8.990 ( 0.000 0.925 -0.000) 0.925 9.028 ( 0.000 1.314 -0.000) 1.314 9.096 ( 0.000 2.766 -0.000) 2.766 9.115 ( 0.000 0.335 0.000) 0.335 9.160 ( 0.000 2.171 0.000) 2.171 9.201 ( 0.000 3.032 -0.000) 3.032 9.255 ( 0.000 2.255 -0.000) 2.255 9.357 ( 0.000 2.530 0.000) 2.530 9.398 ( 0.000 3.837 0.000) 3.837 9.588 ( 0.000 0.076 0.000) 0.076 9.700 ( 0.000 -1.356 0.000) 1.356 9.784 ( 0.000 -4.895 -0.000) 4.895 9.787 ( -0.000 -4.661 0.000) 4.661 9.837 ( 0.000 -2.319 0.000) 2.319 9.864 ( 0.000 -0.769 0.000) 0.769 9.887 ( -0.000 -1.249 0.000) 1.249 9.963 ( 0.000 -2.075 -0.000) 2.075 10.014 ( 0.000 1.829 0.000) 1.829 10.022 ( 0.000 0.784 -0.000) 0.784 10.129 ( 0.000 1.095 -0.000) 1.095 10.183 ( -0.000 3.899 -0.000) 3.899 10.273 ( 0.000 7.745 -0.000) 7.745 10.306 ( -0.000 -3.966 -0.000) 3.966 10.316 ( 0.000 1.408 0.000) 1.408 10.341 ( 0.000 -2.095 -0.000) 2.095 10.497 ( 0.000 1.289 0.000) 1.289 10.575 ( 0.000 4.162 0.000) 4.162 10.588 ( 0.000 4.329 -0.000) 4.329 10.645 ( 0.000 4.978 -0.000) 4.978 10.722 ( 0.000 1.146 -0.000) 1.146 10.769 ( 0.000 3.515 0.000) 3.515 10.798 ( 0.000 -2.108 0.000) 2.108 10.890 ( 0.000 2.044 0.000) 2.044 11.076 ( 0.000 -0.189 -0.000) 0.189 11.183 ( 0.000 2.204 0.000) 2.204 11.229 ( 0.000 -3.324 0.000) 3.324 11.297 ( 0.000 -1.408 0.000) 1.408======================= Grid point 10 (7/35) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( 0.000 20.347 0.000) 20.347 0.884 ( 0.000 20.938 0.000) 20.938 1.210 ( 0.000 1.239 0.000) 1.239 1.336 ( 0.000 20.164 0.000) 20.164 1.387 ( 0.000 7.256 0.000) 7.256 1.496 ( 0.000 4.134 0.000) 4.134 1.550 ( 0.000 6.998 0.000) 6.998 1.678 ( 0.000 10.993 0.000) 10.993 1.748 ( 0.000 8.972 0.000) 8.972 1.783 ( 0.000 1.394 0.000) 1.394 1.839 ( 0.000 4.285 0.000) 4.285 1.850 ( 0.000 1.402 0.000) 1.402 1.888 ( 0.000 3.511 0.000) 3.511 1.960 ( 0.000 6.165 0.000) 6.165 1.989 ( 0.000 3.489 0.000) 3.489 2.011 ( 0.000 -1.402 0.000) 1.402 2.083 ( 0.000 5.754 0.000) 5.754 2.090 ( 0.000 6.538 0.000) 6.538 2.195 ( 0.000 -3.004 0.000) 3.004 2.261 ( 0.000 0.963 0.000) 0.963 2.348 ( 0.000 -1.850 0.000) 1.850 2.359 ( 0.000 -1.006 0.000) 1.006 2.422 ( 0.000 -0.986 0.000) 0.986 2.444 ( 0.000 -3.998 0.000) 3.998 2.454 ( 0.000 1.227 0.000) 1.227 2.491 ( 0.000 -2.899 0.000) 2.899 2.499 ( 0.000 2.790 0.000) 2.790 2.611 ( 0.000 0.584 0.000) 0.584 2.624 ( 0.000 -1.957 0.000) 1.957 2.747 ( 0.000 1.038 0.000) 1.038 2.752 ( 0.000 -0.080 0.000) 0.080 2.774 ( 0.000 -4.269 0.000) 4.269 2.852 ( 0.000 1.952 0.000) 1.952 2.872 ( 0.000 -2.478 0.000) 2.478 2.878 ( 0.000 -0.672 0.000) 0.672 2.910 ( 0.000 0.678 0.000) 0.678 2.916 ( 0.000 -5.155 0.000) 5.155 2.948 ( 0.000 -3.584 0.000) 3.584 2.990 ( 0.000 -4.093 0.000) 4.093 3.000 ( 0.000 -2.566 0.000) 2.566 3.049 ( 0.000 3.537 0.000) 3.537 3.085 ( 0.000 -1.180 0.000) 1.180 3.113 ( 0.000 -7.855 0.000) 7.855 3.202 ( 0.000 0.667 0.000) 0.667 3.232 ( 0.000 2.866 0.000) 2.866 3.235 ( 0.000 -0.568 0.000) 0.568 3.244 ( 0.000 -0.659 0.000) 0.659 3.286 ( 0.000 -0.016 0.000) 0.016 3.302 ( 0.000 3.156 0.000) 3.156 3.335 ( 0.000 -1.290 0.000) 1.290 3.336 ( 0.000 1.924 0.000) 1.924 3.367 ( 0.000 -5.342 0.000) 5.342 3.411 ( 0.000 -1.237 0.000) 1.237 3.450 ( 0.000 -2.062 0.000) 2.062 3.470 ( 0.000 -5.688 0.000) 5.688 3.477 ( 0.000 3.489 0.000) 3.489 3.491 ( 0.000 3.849 0.000) 3.849 3.575 ( 0.000 -2.440 0.000) 2.440 3.618 ( 0.000 1.054 0.000) 1.054 3.636 ( 0.000 3.323 0.000) 3.323 3.668 ( 0.000 1.080 0.000) 1.080 3.726 ( 0.000 -4.636 0.000) 4.636 3.737 ( 0.000 -1.691 0.000) 1.691 3.795 ( 0.000 -2.050 0.000) 2.050 3.814 ( 0.000 -1.019 0.000) 1.019 3.834 ( 0.000 -0.459 0.000) 0.459 3.858 ( 0.000 -1.398 0.000) 1.398 3.871 ( 0.000 -1.772 0.000) 1.772 3.895 ( 0.000 0.460 0.000) 0.460 3.904 ( 0.000 0.239 0.000) 0.239 3.977 ( 0.000 0.130 0.000) 0.130 3.979 ( 0.000 -4.014 0.000) 4.014 4.016 ( 0.000 -5.389 0.000) 5.389 4.151 ( 0.000 -2.463 0.000) 2.463 4.173 ( 0.000 0.192 0.000) 0.192 4.178 ( 0.000 0.200 0.000) 0.200 4.199 ( 0.000 -4.541 0.000) 4.541 4.206 ( 0.000 -2.580 0.000) 2.580 4.265 ( 0.000 1.248 0.000) 1.248 4.345 ( 0.000 2.294 0.000) 2.294 4.347 ( 0.000 0.547 0.000) 0.547 4.436 ( 0.000 1.784 0.000) 1.784 4.459 ( 0.000 1.791 0.000) 1.791 4.516 ( 0.000 -0.192 0.000) 0.192 4.519 ( 0.000 1.012 0.000) 1.012 4.550 ( 0.000 3.289 0.000) 3.289 4.651 ( 0.000 0.625 0.000) 0.625 4.658 ( 0.000 0.107 0.000) 0.107 4.668 ( 0.000 -4.871 0.000) 4.871 4.765 ( 0.000 3.473 0.000) 3.473 4.814 ( 0.000 -0.156 0.000) 0.156 4.914 ( 0.000 -2.343 0.000) 2.343 4.968 ( 0.000 1.072 0.000) 1.072 5.045 ( 0.000 -0.682 0.000) 0.682 5.068 ( 0.000 3.370 0.000) 3.370 5.107 ( 0.000 0.852 0.000) 0.852 5.152 ( 0.000 0.568 0.000) 0.568 5.179 ( 0.000 1.864 0.000) 1.864 5.186 ( 0.000 0.408 0.000) 0.408 5.210 ( 0.000 0.307 0.000) 0.307 5.298 ( 0.000 -3.407 0.000) 3.407 5.353 ( 0.000 -1.717 0.000) 1.717 5.408 ( 0.000 0.528 0.000) 0.528 5.448 ( 0.000 -3.311 0.000) 3.311 5.496 ( 0.000 2.165 0.000) 2.165 5.512 ( 0.000 -5.154 0.000) 5.154 5.524 ( 0.000 -0.388 0.000) 0.388 5.658 ( 0.000 -2.976 0.000) 2.976 5.699 ( 0.000 1.703 0.000) 1.703 5.795 ( 0.000 -1.464 0.000) 1.464 5.838 ( 0.000 -0.580 0.000) 0.580 5.850 ( 0.000 -4.760 0.000) 4.760 6.040 ( 0.000 1.352 0.000) 1.352 6.237 ( 0.000 -1.500 0.000) 1.500 6.282 ( 0.000 1.212 0.000) 1.212 6.346 ( 0.000 -0.515 0.000) 0.515 6.585 ( 0.000 1.526 0.000) 1.526 6.646 ( 0.000 0.235 0.000) 0.235 6.702 ( 0.000 0.696 0.000) 0.696 6.770 ( 0.000 -0.992 0.000) 0.992 7.794 ( 0.000 -0.436 0.000) 0.436 7.816 ( 0.000 -0.531 0.000) 0.531 7.858 ( 0.000 -1.404 0.000) 1.404 7.871 ( 0.000 -0.336 0.000) 0.336 7.907 ( 0.000 -1.523 0.000) 1.523 7.932 ( 0.000 -1.366 0.000) 1.366 7.949 ( 0.000 -3.038 0.000) 3.038 7.966 ( 0.000 -1.954 0.000) 1.954 8.851 ( 0.000 0.374 0.000) 0.374 8.866 ( 0.000 0.318 0.000) 0.318 8.900 ( 0.000 -0.825 0.000) 0.825 8.929 ( 0.000 -0.844 0.000) 0.844 9.062 ( 0.000 5.874 0.000) 5.874 9.131 ( 0.000 5.867 0.000) 5.867 9.164 ( 0.000 1.027 0.000) 1.027 9.263 ( 0.000 0.285 0.000) 0.285 9.266 ( 0.000 3.931 0.000) 3.931 9.279 ( 0.000 2.245 0.000) 2.245 9.434 ( 0.000 2.640 0.000) 2.640 9.501 ( 0.000 1.392 0.000) 1.392 9.531 ( 0.000 1.745 0.000) 1.745 9.535 ( 0.000 -2.048 0.000) 2.048 9.715 ( 0.000 -1.738 0.000) 1.738 9.753 ( 0.000 -0.848 0.000) 0.848 9.811 ( 0.000 -0.566 0.000) 0.566 9.835 ( 0.000 -0.614 0.000) 0.614 9.869 ( 0.000 -1.284 0.000) 1.284 9.903 ( 0.000 -3.416 0.000) 3.416 10.003 ( 0.000 -2.186 0.000) 2.186 10.137 ( 0.000 2.363 0.000) 2.363 10.169 ( 0.000 0.204 0.000) 0.204 10.180 ( 0.000 0.364 0.000) 0.364 10.205 ( 0.000 3.685 0.000) 3.685 10.267 ( 0.000 2.849 0.000) 2.849 10.332 ( 0.000 -1.608 0.000) 1.608 10.427 ( 0.000 -2.672 0.000) 2.672 10.609 ( 0.000 5.346 0.000) 5.346 10.626 ( 0.000 5.364 0.000) 5.364 10.710 ( 0.000 5.418 0.000) 5.418 10.732 ( 0.000 3.799 0.000) 3.799 10.750 ( 0.000 4.562 0.000) 4.562 10.861 ( 0.000 -2.001 0.000) 2.001 10.870 ( 0.000 5.465 0.000) 5.465 10.935 ( 0.000 -0.974 0.000) 0.974 11.121 ( 0.000 0.133 0.000) 0.133 11.160 ( 0.000 0.564 0.000) 0.564 11.232 ( 0.000 -0.354 0.000) 0.354 11.250 ( 0.000 -1.559 0.000) 1.559======================= Grid point 11 (8/35) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( 11.593 18.150 -0.335) 21.539 1.039 ( 12.264 15.678 -1.333) 19.949 1.250 ( 3.823 1.048 -2.157) 4.513 1.402 ( 0.146 11.822 3.395) 12.301 1.441 ( 2.339 5.371 2.511) 6.374 1.482 ( 0.261 4.286 3.279) 5.403 1.499 ( -2.472 10.850 -2.849) 11.487 1.617 ( -7.193 17.257 -0.421) 18.701 1.636 ( -5.216 7.690 1.085) 9.355 1.740 ( -2.537 5.845 -0.502) 6.392 1.742 ( -1.615 2.806 -0.806) 3.336 1.838 ( -4.329 2.272 -0.920) 4.975 1.851 ( -5.250 7.369 -1.757) 9.216 1.903 ( 5.308 2.573 -1.663) 6.129 2.069 ( 2.843 1.810 -1.006) 3.517 2.118 ( 5.736 -1.630 2.448) 6.446 2.161 ( 2.332 1.067 -0.348) 2.588 2.203 ( 3.648 0.283 -0.910) 3.771 2.259 ( 8.243 3.289 1.939) 9.084 2.288 ( -0.573 -0.235 -3.122) 3.182 2.306 ( 3.082 0.719 0.238) 3.174 2.364 ( -1.503 -3.922 1.411) 4.431 2.388 ( 0.074 1.194 0.265) 1.225 2.427 ( 0.967 -0.986 0.837) 1.615 2.476 ( 1.070 1.375 -0.640) 1.856 2.532 ( 2.831 -0.870 0.542) 3.011 2.582 ( 4.125 -0.171 -0.727) 4.192 2.601 ( -0.148 1.059 1.703) 2.011 2.627 ( -3.694 -2.147 -0.774) 4.343 2.675 ( -0.965 -2.115 -0.529) 2.384 2.733 ( -2.956 -1.576 -0.084) 3.351 2.754 ( -1.074 -0.305 -1.375) 1.771 2.805 ( -3.224 1.388 -1.031) 3.658 2.815 ( -3.116 -1.963 0.402) 3.704 2.882 ( -1.126 -1.365 -0.074) 1.771 2.907 ( -1.144 0.421 -0.611) 1.363 2.928 ( -1.167 -1.126 -0.401) 1.671 2.955 ( 2.151 1.000 1.087) 2.609 2.997 ( -0.657 -4.175 3.091) 5.236 3.011 ( -1.026 3.271 0.331) 3.444 3.056 ( -1.021 -0.002 2.979) 3.149 3.074 ( -0.379 -2.178 1.319) 2.574 3.112 ( -2.037 -6.026 0.027) 6.361 3.142 ( -1.256 -1.601 -0.191) 2.044 3.171 ( -2.157 2.601 0.068) 3.380 3.211 ( -0.687 -0.416 -1.972) 2.129 3.254 ( -0.857 -1.534 -1.273) 2.170 3.273 ( -0.668 -1.006 0.807) 1.453 3.280 ( -0.076 1.804 -1.905) 2.625 3.356 ( 0.093 -0.541 0.890) 1.046 3.367 ( -0.102 -0.071 0.952) 0.960 3.387 ( -0.200 1.157 -2.314) 2.595 3.424 ( -1.015 1.692 -2.257) 2.998 3.434 ( -1.595 -0.264 2.767) 3.205 3.463 ( 0.250 -2.728 -0.061) 2.741 3.479 ( 3.541 -0.681 0.433) 3.632 3.521 ( 2.255 -4.810 0.219) 5.317 3.564 ( -2.618 -1.140 -0.060) 2.857 3.595 ( 1.123 -3.148 1.839) 3.815 3.620 ( -0.768 2.968 2.507) 3.960 3.646 ( -4.738 0.183 -1.988) 5.142 3.683 ( -0.888 -0.856 -1.211) 1.728 3.700 ( -1.553 0.887 -5.105) 5.409 3.760 ( -1.843 -1.664 -0.690) 2.577 3.836 ( 2.562 -2.681 1.355) 3.948 3.851 ( -1.274 -1.592 0.384) 2.075 3.876 ( -0.818 1.604 0.472) 1.862 3.889 ( 1.387 -0.816 0.698) 1.755 3.895 ( 2.090 -2.083 1.880) 3.499 3.929 ( -1.847 -3.348 -1.018) 3.957 3.972 ( 2.319 1.319 2.416) 3.599 3.989 ( 0.558 -2.272 -1.392) 2.722 4.041 ( 2.813 -3.680 0.832) 4.706 4.118 ( -3.658 -0.969 2.433) 4.499 4.141 ( -2.481 -1.581 -1.091) 3.138 4.160 ( -0.602 -0.251 0.838) 1.062 4.186 ( 0.845 -1.591 0.339) 1.834 4.213 ( 0.461 -4.386 -2.114) 4.891 4.264 ( -2.213 -2.373 0.889) 3.364 4.282 ( -4.123 1.381 -0.098) 4.349 4.368 ( 1.140 2.039 -2.896) 3.720 4.392 ( -0.816 1.042 -2.103) 2.485 4.449 ( -2.763 1.522 1.535) 3.508 4.485 ( 0.658 1.432 1.453) 2.143 4.535 ( -0.104 0.558 0.944) 1.102 4.599 ( 2.950 3.097 0.250) 4.284 4.608 ( -2.170 -2.522 0.077) 3.328 4.715 ( 1.370 -2.067 -0.068) 2.481 4.763 ( 2.933 -0.850 -4.472) 5.415 4.768 ( 4.622 2.087 -0.098) 5.072 4.808 ( -5.484 -0.784 -4.927) 7.414 4.859 ( -0.795 -0.463 4.831) 4.918 4.921 ( -1.995 3.055 -3.070) 4.769 5.053 ( 0.370 1.781 -2.692) 3.249 5.084 ( 1.233 2.022 1.186) 2.648 5.105 ( 0.391 0.609 2.667) 2.764 5.127 ( -1.920 0.077 -2.580) 3.217 5.161 ( 1.482 -1.354 -1.604) 2.569 5.202 ( -1.022 0.500 0.706) 1.339 5.246 ( 0.248 0.040 2.353) 2.366 5.303 ( 2.914 -1.907 5.196) 6.255 5.349 ( -0.674 -4.699 0.451) 4.769 5.429 ( 1.814 -1.963 -0.070) 2.674 5.468 ( -1.955 -4.165 -0.598) 4.640 5.494 ( 5.837 -0.215 3.440) 6.779 5.538 ( 1.265 0.297 -0.352) 1.346 5.578 ( 2.156 2.119 0.698) 3.103 5.655 ( -0.766 0.474 2.426) 2.588 5.722 ( 1.317 -1.370 0.545) 1.978 5.787 ( -3.992 -3.905 -2.231) 6.013 5.822 ( 3.589 -0.599 -2.062) 4.182 5.866 ( 0.195 -0.358 -0.372) 0.552 6.092 ( 5.631 -0.022 -4.271) 7.068 6.190 ( -4.287 -0.142 1.123) 4.433 6.282 ( -0.139 -0.046 -0.383) 0.409 6.320 ( -2.836 -0.695 1.372) 3.226 6.592 ( 0.611 1.418 -0.297) 1.572 6.632 ( -0.935 0.464 0.614) 1.211 6.715 ( 0.850 0.338 -0.762) 1.190 6.753 ( -1.560 -0.786 0.792) 1.918 7.800 ( 0.627 -0.572 -0.185) 0.868 7.823 ( 0.689 -0.683 0.226) 0.996 7.853 ( -1.040 -0.698 -0.058) 1.253 7.863 ( -0.538 -0.720 0.014) 0.899 7.915 ( 0.832 -2.267 0.304) 2.433 7.926 ( -0.338 -2.172 -0.546) 2.265 7.951 ( -0.092 -2.783 0.240) 2.795 7.965 ( -0.001 -1.894 -0.021) 1.894 8.863 ( 0.859 -0.015 -0.055) 0.861 8.880 ( 0.965 -0.030 0.046) 0.967 8.908 ( 0.703 -1.349 -0.010) 1.521 8.947 ( 1.478 -1.630 0.097) 2.202 9.077 ( 1.355 5.363 -0.398) 5.546 9.147 ( 1.402 5.533 0.483) 5.729 9.163 ( -0.142 1.960 -0.221) 1.978 9.249 ( -1.222 1.970 0.466) 2.365 9.275 ( 0.130 4.105 0.127) 4.109 9.289 ( 1.035 2.395 -0.306) 2.627 9.408 ( -0.893 2.532 -0.077) 2.686 9.470 ( -2.135 1.425 0.146) 2.571 9.551 ( 3.237 0.667 0.191) 3.311 9.617 ( 4.199 -2.771 -0.517) 5.057 9.693 ( -2.146 -2.702 -0.216) 3.458 9.749 ( -1.014 -1.298 -0.162) 1.656 9.807 ( 1.218 -0.659 0.491) 1.469 9.824 ( 0.084 -1.321 -0.389) 1.380 9.884 ( 0.206 -0.146 0.480) 0.543 9.947 ( 0.190 -3.450 -0.412) 3.480 9.982 ( 1.469 -1.167 0.119) 1.880 10.082 ( -3.246 2.044 -0.594) 3.881 10.176 ( -1.541 -0.448 0.623) 1.721 10.226 ( 2.236 4.152 0.166) 4.719 10.242 ( -0.917 0.557 -0.310) 1.117 10.244 ( 4.659 0.147 0.291) 4.670 10.336 ( 0.361 -0.085 0.027) 0.372 10.425 ( -1.320 -0.471 -0.603) 1.525 10.594 ( -2.696 5.371 0.361) 6.020 10.620 ( 0.967 4.577 -0.323) 4.689 10.687 ( -1.510 4.061 -0.853) 4.416 10.729 ( -1.160 2.013 1.491) 2.761 10.754 ( 1.342 4.326 0.294) 4.539 10.842 ( -2.044 3.546 -2.139) 4.618 10.860 ( -0.345 3.702 1.051) 3.864 10.928 ( -0.733 -0.097 0.756) 1.058 11.118 ( -0.527 1.719 -0.185) 1.808 11.154 ( 0.080 -1.113 0.270) 1.148 11.222 ( -0.792 0.171 -0.393) 0.900 11.253 ( 0.070 -2.201 0.265) 2.218======================= Grid point 12 (9/35) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 29Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 0.000 13.085 -0.000) 13.085 1.181 ( -0.000 11.372 0.000) 11.372 1.207 ( -0.000 6.946 -0.000) 6.946 1.327 ( 0.000 17.456 -0.000) 17.456 1.387 ( -0.000 10.311 0.000) 10.311 1.420 ( 0.000 -2.003 0.000) 2.003 1.556 ( 0.000 4.592 0.000) 4.592 1.603 ( 0.000 5.150 0.000) 5.150 1.612 ( -0.000 8.007 -0.000) 8.007 1.708 ( 0.000 -0.301 -0.000) 0.301 1.758 ( 0.000 7.419 0.000) 7.419 1.790 ( 0.000 11.966 -0.000) 11.966 1.843 ( 0.000 8.286 -0.000) 8.286 1.942 ( -0.000 5.538 -0.000) 5.538 2.096 ( 0.000 2.530 -0.000) 2.530 2.100 ( -0.000 8.916 -0.000) 8.916 2.212 ( 0.000 -8.339 0.000) 8.339 2.221 ( 0.000 -2.275 -0.000) 2.275 2.303 ( 0.000 -3.356 -0.000) 3.356 2.326 ( 0.000 0.874 0.000) 0.874 2.342 ( 0.000 -2.040 -0.000) 2.040 2.351 ( -0.000 -5.390 0.000) 5.390 2.421 ( 0.000 1.585 0.000) 1.585 2.488 ( 0.000 5.728 0.000) 5.728 2.515 ( -0.000 -1.734 -0.000) 1.734 2.516 ( 0.000 1.872 0.000) 1.872 2.579 ( 0.000 0.459 0.000) 0.459 2.582 ( 0.000 -1.445 -0.000) 1.445 2.662 ( 0.000 -1.993 -0.000) 1.993 2.679 ( -0.000 -1.348 -0.000) 1.348 2.692 ( -0.000 0.218 -0.000) 0.218 2.747 ( 0.000 -1.421 -0.000) 1.421 2.756 ( -0.000 2.878 0.000) 2.878 2.796 ( 0.000 -1.566 -0.000) 1.566 2.843 ( 0.000 4.396 -0.000) 4.396 2.852 ( -0.000 -0.651 0.000) 0.651 2.902 ( 0.000 1.569 0.000) 1.569 2.957 ( 0.000 -0.827 -0.000) 0.827 3.004 ( 0.000 -0.759 -0.000) 0.759 3.015 ( 0.000 -2.231 0.000) 2.231 3.033 ( 0.000 3.576 -0.000) 3.576 3.050 ( 0.000 4.931 0.000) 4.931 3.098 ( 0.000 -3.608 -0.000) 3.608 3.121 ( 0.000 -0.725 -0.000) 0.725 3.176 ( 0.000 -2.939 0.000) 2.939 3.179 ( -0.000 -1.518 -0.000) 1.518 3.261 ( 0.000 -0.246 0.000) 0.246 3.289 ( -0.000 -0.918 -0.000) 0.918 3.290 ( 0.000 -2.939 0.000) 2.939 3.340 ( 0.000 -1.321 -0.000) 1.321 3.354 ( -0.000 0.604 -0.000) 0.604 3.375 ( 0.000 -4.068 -0.000) 4.068 3.407 ( 0.000 0.225 0.000) 0.225 3.417 ( 0.000 1.588 -0.000) 1.588 3.495 ( 0.000 -2.285 -0.000) 2.285 3.502 ( 0.000 0.530 0.000) 0.530 3.531 ( 0.000 -2.890 -0.000) 2.890 3.567 ( 0.000 -1.853 -0.000) 1.853 3.575 ( 0.000 2.544 0.000) 2.544 3.610 ( -0.000 2.771 -0.000) 2.771 3.639 ( 0.000 -0.458 0.000) 0.458 3.667 ( 0.000 -6.240 0.000) 6.240 3.702 ( -0.000 -2.564 0.000) 2.564 3.710 ( 0.000 -2.141 -0.000) 2.141 3.833 ( 0.000 -2.762 -0.000) 2.762 3.856 ( 0.000 0.273 -0.000) 0.273 3.870 ( -0.000 0.136 -0.000) 0.136 3.877 ( 0.000 -1.934 0.000) 1.934 3.914 ( 0.000 -0.914 0.000) 0.914 3.933 ( 0.000 -2.690 -0.000) 2.690 3.974 ( 0.000 3.420 0.000) 3.420 4.062 ( -0.000 -0.220 -0.000) 0.220 4.062 ( 0.000 -2.278 0.000) 2.278 4.085 ( 0.000 1.322 -0.000) 1.322 4.092 ( -0.000 0.565 0.000) 0.565 4.156 ( 0.000 -3.855 -0.000) 3.855 4.202 ( 0.000 -2.587 0.000) 2.587 4.203 ( -0.000 0.403 -0.000) 0.403 4.220 ( 0.000 -3.052 -0.000) 3.052 4.242 ( 0.000 -4.133 -0.000) 4.133 4.379 ( 0.000 1.688 -0.000) 1.688 4.413 ( 0.000 -0.269 -0.000) 0.269 4.441 ( -0.000 1.019 0.000) 1.019 4.482 ( 0.000 0.451 -0.000) 0.451 4.524 ( 0.000 -2.208 -0.000) 2.208 4.561 ( 0.000 1.531 -0.000) 1.531 4.639 ( 0.000 2.013 0.000) 2.013 4.689 ( 0.000 -3.685 0.000) 3.685 4.740 ( 0.000 1.466 -0.000) 1.466 4.783 ( 0.000 1.067 0.000) 1.067 4.850 ( 0.000 4.002 0.000) 4.002 4.877 ( -0.000 -0.009 -0.000) 0.009 4.880 ( 0.000 -0.685 0.000) 0.685 5.061 ( 0.000 3.587 0.000) 3.587 5.100 ( -0.000 0.757 0.000) 0.757 5.100 ( 0.000 -0.121 -0.000) 0.121 5.145 ( 0.000 -1.388 0.000) 1.388 5.147 ( -0.000 0.509 -0.000) 0.509 5.208 ( 0.000 -0.740 -0.000) 0.740 5.230 ( 0.000 -1.802 0.000) 1.802 5.331 ( 0.000 -2.806 0.000) 2.806 5.381 ( 0.000 -3.817 0.000) 3.817 5.417 ( -0.000 -4.801 -0.000) 4.801 5.455 ( 0.000 -3.589 -0.000) 3.589 5.556 ( 0.000 2.717 0.000) 2.717 5.582 ( 0.000 2.500 0.000) 2.500 5.600 ( 0.000 3.307 0.000) 3.307 5.641 ( 0.000 -0.550 0.000) 0.550 5.704 ( -0.000 -4.229 -0.000) 4.229 5.735 ( 0.000 -2.121 -0.000) 2.121 5.865 ( 0.000 1.190 0.000) 1.190 5.892 ( 0.000 -0.459 -0.000) 0.459 6.124 ( 0.000 0.836 0.000) 0.836 6.200 ( 0.000 -2.070 -0.000) 2.070 6.250 ( -0.000 -0.351 0.000) 0.351 6.281 ( -0.000 -0.505 -0.000) 0.505 6.601 ( 0.000 1.251 -0.000) 1.251 6.622 ( 0.000 0.549 0.000) 0.549 6.723 ( 0.000 0.145 -0.000) 0.145 6.732 ( 0.000 -0.490 0.000) 0.490 7.812 ( 0.000 -1.018 -0.000) 1.018 7.833 ( -0.000 0.331 -0.000) 0.331 7.837 ( 0.000 -1.862 0.000) 1.862 7.852 ( 0.000 0.051 -0.000) 0.051 7.919 ( 0.000 -2.832 0.000) 2.832 7.933 ( 0.000 -2.584 0.000) 2.584 7.945 ( 0.000 -2.761 -0.000) 2.761 7.966 ( 0.000 -1.912 0.000) 1.912 8.872 ( 0.000 -0.221 -0.000) 0.221 8.890 ( 0.000 -0.018 -0.000) 0.018 8.917 ( 0.000 -2.032 -0.000) 2.032 8.965 ( 0.000 -2.447 -0.000) 2.447 9.096 ( 0.000 4.476 -0.000) 4.476 9.157 ( 0.000 3.456 -0.000) 3.456 9.170 ( 0.000 4.414 0.000) 4.414 9.230 ( 0.000 4.431 0.000) 4.431 9.273 ( 0.000 4.193 -0.000) 4.193 9.302 ( 0.000 2.843 0.000) 2.843 9.405 ( 0.000 2.079 0.000) 2.079 9.451 ( 0.000 1.806 0.000) 1.806 9.593 ( 0.000 0.190 -0.000) 0.190 9.648 ( 0.000 -3.397 0.000) 3.397 9.692 ( 0.000 -4.008 0.000) 4.008 9.710 ( -0.000 -3.461 0.000) 3.461 9.830 ( 0.000 1.075 0.000) 1.075 9.865 ( 0.000 -1.364 0.000) 1.364 9.870 ( -0.000 0.569 -0.000) 0.569 9.902 ( 0.000 -3.151 0.000) 3.151 10.031 ( 0.000 -0.183 0.000) 0.183 10.050 ( 0.000 2.114 0.000) 2.114 10.139 ( 0.000 -1.339 -0.000) 1.339 10.231 ( 0.000 -3.494 -0.000) 3.494 10.267 ( 0.000 4.348 -0.000) 4.348 10.312 ( 0.000 0.420 -0.000) 0.420 10.340 ( 0.000 1.188 -0.000) 1.188 10.383 ( 0.000 3.339 0.000) 3.339 10.558 ( 0.000 4.822 0.000) 4.822 10.635 ( 0.000 1.973 -0.000) 1.973 10.668 ( 0.000 3.772 0.000) 3.772 10.719 ( 0.000 1.230 0.000) 1.230 10.779 ( 0.000 5.170 0.000) 5.170 10.805 ( -0.000 3.016 -0.000) 3.016 10.860 ( 0.000 5.493 0.000) 5.493 10.917 ( 0.000 0.809 0.000) 0.809 11.109 ( 0.000 3.186 -0.000) 3.186 11.162 ( 0.000 -2.943 -0.000) 2.943 11.210 ( 0.000 0.910 0.000) 0.910 11.253 ( 0.000 -2.725 0.000) 2.725======================= Grid point 15 (10/35) =======================q-point: ( 0.00 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( 0.000 13.923 0.000) 13.923 1.244 ( 0.000 2.618 0.000) 2.618 1.251 ( 0.000 18.234 0.000) 18.234 1.489 ( 0.000 3.995 0.000) 3.995 1.560 ( 0.000 5.258 0.000) 5.258 1.582 ( 0.000 7.172 0.000) 7.172 1.723 ( 0.000 6.258 0.000) 6.258 1.738 ( 0.000 -6.056 0.000) 6.056 1.769 ( 0.000 0.108 0.000) 0.108 1.846 ( 0.000 0.271 0.000) 0.271 1.864 ( 0.000 -1.546 0.000) 1.546 1.907 ( 0.000 -4.921 0.000) 4.921 1.956 ( 0.000 10.463 0.000) 10.463 2.012 ( 0.000 6.762 0.000) 6.762 2.087 ( 0.000 -2.496 0.000) 2.496 2.095 ( 0.000 6.070 0.000) 6.070 2.110 ( 0.000 4.595 0.000) 4.595 2.186 ( 0.000 -6.711 0.000) 6.711 2.201 ( 0.000 6.125 0.000) 6.125 2.284 ( 0.000 6.256 0.000) 6.256 2.324 ( 0.000 -2.707 0.000) 2.707 2.386 ( 0.000 6.322 0.000) 6.322 2.413 ( 0.000 -0.852 0.000) 0.852 2.425 ( 0.000 0.726 0.000) 0.726 2.448 ( 0.000 1.087 0.000) 1.087 2.497 ( 0.000 -0.347 0.000) 0.347 2.549 ( 0.000 1.321 0.000) 1.321 2.563 ( 0.000 -3.810 0.000) 3.810 2.598 ( 0.000 2.502 0.000) 2.502 2.691 ( 0.000 -4.531 0.000) 4.531 2.749 ( 0.000 -1.221 0.000) 1.221 2.764 ( 0.000 1.484 0.000) 1.484 2.781 ( 0.000 -4.257 0.000) 4.257 2.803 ( 0.000 -4.887 0.000) 4.887 2.861 ( 0.000 -1.957 0.000) 1.957 2.861 ( 0.000 -1.817 0.000) 1.817 2.908 ( 0.000 -0.603 0.000) 0.603 2.934 ( 0.000 -1.029 0.000) 1.029 2.941 ( 0.000 -6.374 0.000) 6.374 2.983 ( 0.000 1.782 0.000) 1.782 3.007 ( 0.000 0.478 0.000) 0.478 3.070 ( 0.000 -1.030 0.000) 1.030 3.153 ( 0.000 4.650 0.000) 4.650 3.174 ( 0.000 -0.702 0.000) 0.702 3.227 ( 0.000 -0.699 0.000) 0.699 3.246 ( 0.000 1.345 0.000) 1.345 3.258 ( 0.000 2.233 0.000) 2.233 3.289 ( 0.000 -0.201 0.000) 0.201 3.291 ( 0.000 -2.629 0.000) 2.629 3.299 ( 0.000 -2.013 0.000) 2.013 3.365 ( 0.000 -0.278 0.000) 0.278 3.383 ( 0.000 3.623 0.000) 3.623 3.396 ( 0.000 -0.892 0.000) 0.892 3.424 ( 0.000 -0.337 0.000) 0.337 3.449 ( 0.000 2.910 0.000) 2.910 3.479 ( 0.000 -2.709 0.000) 2.709 3.560 ( 0.000 0.702 0.000) 0.702 3.588 ( 0.000 2.868 0.000) 2.868 3.604 ( 0.000 1.748 0.000) 1.748 3.659 ( 0.000 -0.617 0.000) 0.617 3.664 ( 0.000 -4.512 0.000) 4.512 3.682 ( 0.000 -0.888 0.000) 0.888 3.731 ( 0.000 5.194 0.000) 5.194 3.762 ( 0.000 -0.633 0.000) 0.633 3.801 ( 0.000 -2.783 0.000) 2.783 3.821 ( 0.000 -2.049 0.000) 2.049 3.826 ( 0.000 -0.924 0.000) 0.924 3.829 ( 0.000 0.827 0.000) 0.827 3.881 ( 0.000 -1.338 0.000) 1.338 3.910 ( 0.000 -0.025 0.000) 0.025 3.921 ( 0.000 -3.659 0.000) 3.659 3.966 ( 0.000 1.359 0.000) 1.359 3.985 ( 0.000 -0.059 0.000) 0.059 4.057 ( 0.000 -8.265 0.000) 8.265 4.104 ( 0.000 -1.851 0.000) 1.851 4.128 ( 0.000 -2.575 0.000) 2.575 4.193 ( 0.000 -1.539 0.000) 1.539 4.198 ( 0.000 -0.191 0.000) 0.191 4.291 ( 0.000 3.533 0.000) 3.533 4.392 ( 0.000 2.193 0.000) 2.193 4.412 ( 0.000 4.371 0.000) 4.371 4.470 ( 0.000 1.420 0.000) 1.420 4.502 ( 0.000 2.748 0.000) 2.748 4.522 ( 0.000 0.616 0.000) 0.616 4.535 ( 0.000 0.906 0.000) 0.906 4.552 ( 0.000 -5.670 0.000) 5.670 4.575 ( 0.000 -0.745 0.000) 0.745 4.669 ( 0.000 -0.416 0.000) 0.416 4.724 ( 0.000 6.697 0.000) 6.697 4.797 ( 0.000 -1.318 0.000) 1.318 4.834 ( 0.000 1.048 0.000) 1.048 4.852 ( 0.000 0.694 0.000) 0.694 4.999 ( 0.000 -4.362 0.000) 4.362 5.029 ( 0.000 3.574 0.000) 3.574 5.063 ( 0.000 -3.612 0.000) 3.612 5.133 ( 0.000 2.419 0.000) 2.419 5.168 ( 0.000 1.173 0.000) 1.173 5.189 ( 0.000 -5.101 0.000) 5.101 5.208 ( 0.000 -0.420 0.000) 0.420 5.223 ( 0.000 2.624 0.000) 2.624 5.239 ( 0.000 0.469 0.000) 0.469 5.319 ( 0.000 -1.714 0.000) 1.714 5.378 ( 0.000 -6.153 0.000) 6.153 5.396 ( 0.000 -1.928 0.000) 1.928 5.422 ( 0.000 -0.222 0.000) 0.222 5.491 ( 0.000 -2.350 0.000) 2.350 5.537 ( 0.000 2.125 0.000) 2.125 5.615 ( 0.000 -1.898 0.000) 1.898 5.734 ( 0.000 1.738 0.000) 1.738 5.771 ( 0.000 -1.031 0.000) 1.031 5.796 ( 0.000 -1.022 0.000) 1.022 5.823 ( 0.000 -1.087 0.000) 1.087 6.089 ( 0.000 3.362 0.000) 3.362 6.203 ( 0.000 -2.166 0.000) 2.166 6.304 ( 0.000 1.106 0.000) 1.106 6.336 ( 0.000 -0.583 0.000) 0.583 6.615 ( 0.000 1.506 0.000) 1.506 6.648 ( 0.000 -0.152 0.000) 0.152 6.717 ( 0.000 0.878 0.000) 0.878 6.752 ( 0.000 -0.984 0.000) 0.984 7.794 ( 0.000 0.547 0.000) 0.547 7.810 ( 0.000 -0.026 0.000) 0.026 7.831 ( 0.000 -1.221 0.000) 1.221 7.854 ( 0.000 -1.754 0.000) 1.754 7.881 ( 0.000 -0.755 0.000) 0.755 7.903 ( 0.000 -1.570 0.000) 1.570 7.903 ( 0.000 -1.500 0.000) 1.500 7.927 ( 0.000 -2.020 0.000) 2.020 8.850 ( 0.000 -0.080 0.000) 0.080 8.868 ( 0.000 0.197 0.000) 0.197 8.879 ( 0.000 -1.300 0.000) 1.300 8.906 ( 0.000 -1.516 0.000) 1.516 9.155 ( 0.000 3.231 0.000) 3.231 9.180 ( 0.000 0.640 0.000) 0.640 9.228 ( 0.000 3.197 0.000) 3.197 9.264 ( 0.000 -0.194 0.000) 0.194 9.334 ( 0.000 4.315 0.000) 4.315 9.354 ( 0.000 5.223 0.000) 5.223 9.453 ( 0.000 -0.260 0.000) 0.260 9.493 ( 0.000 -2.432 0.000) 2.432 9.543 ( 0.000 3.029 0.000) 3.029 9.571 ( 0.000 2.551 0.000) 2.551 9.673 ( 0.000 -2.750 0.000) 2.750 9.734 ( 0.000 -2.422 0.000) 2.422 9.797 ( 0.000 -0.915 0.000) 0.915 9.801 ( 0.000 -4.312 0.000) 4.312 9.822 ( 0.000 -0.735 0.000) 0.735 9.839 ( 0.000 -2.709 0.000) 2.709 10.014 ( 0.000 2.898 0.000) 2.898 10.136 ( 0.000 -2.983 0.000) 2.983 10.190 ( 0.000 2.847 0.000) 2.847 10.202 ( 0.000 1.494 0.000) 1.494 10.272 ( 0.000 3.046 0.000) 3.046 10.318 ( 0.000 1.827 0.000) 1.827 10.319 ( 0.000 0.227 0.000) 0.227 10.372 ( 0.000 -3.046 0.000) 3.046 10.664 ( 0.000 0.272 0.000) 0.272 10.699 ( 0.000 3.998 0.000) 3.998 10.749 ( 0.000 -3.287 0.000) 3.287 10.799 ( 0.000 2.498 0.000) 2.498 10.811 ( 0.000 3.956 0.000) 3.956 10.867 ( 0.000 -0.800 0.000) 0.800 10.909 ( 0.000 1.850 0.000) 1.850 10.945 ( 0.000 2.386 0.000) 2.386 11.154 ( 0.000 2.459 0.000) 2.459 11.189 ( 0.000 1.064 0.000) 1.064 11.241 ( 0.000 1.488 0.000) 1.488 11.246 ( 0.000 0.992 0.000) 0.992======================= Grid point 16 (11/35) =======================q-point: ( 0.25 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( 7.799 11.776 -2.783) 14.396 1.272 ( 3.083 5.786 -1.482) 6.722 1.338 ( 6.031 12.133 0.691) 13.567 1.501 ( 1.437 3.370 3.207) 4.869 1.545 ( -2.918 2.881 4.364) 5.988 1.575 ( 1.094 5.712 0.962) 5.895 1.721 ( -6.494 1.166 -0.175) 6.600 1.725 ( -1.616 7.121 -0.820) 7.348 1.781 ( 3.680 3.120 -3.425) 5.916 1.821 ( 0.320 -2.488 -0.200) 2.516 1.845 ( -6.065 5.295 -0.472) 8.065 1.893 ( 1.801 -0.717 -2.235) 2.959 1.916 ( -1.407 8.821 -0.335) 8.939 2.028 ( 4.987 1.050 -1.817) 5.410 2.056 ( 0.790 7.135 -1.057) 7.256 2.113 ( 1.831 -0.041 0.915) 2.047 2.175 ( 1.769 -3.901 0.728) 4.345 2.181 ( -1.184 -3.950 1.755) 4.482 2.238 ( 3.118 5.065 -1.332) 6.095 2.261 ( -2.196 -0.267 -0.397) 2.248 2.317 ( -4.166 -1.067 0.130) 4.303 2.406 ( 0.170 1.434 2.808) 3.157 2.411 ( 3.314 3.759 0.612) 5.049 2.437 ( 3.254 1.700 1.097) 3.832 2.503 ( 2.925 -1.914 0.359) 3.513 2.535 ( 1.489 3.296 0.440) 3.643 2.554 ( 1.046 -4.813 1.479) 5.142 2.588 ( 1.064 0.177 -2.272) 2.515 2.602 ( -3.549 -0.241 -0.752) 3.635 2.633 ( 2.774 0.229 0.073) 2.784 2.728 ( -4.529 -2.974 -3.910) 6.682 2.737 ( -2.613 -0.411 -1.982) 3.305 2.767 ( 0.765 1.199 0.187) 1.435 2.820 ( 0.160 -4.090 -0.760) 4.163 2.857 ( -0.913 -0.571 -1.341) 1.720 2.875 ( 1.892 -1.630 2.462) 3.507 2.918 ( 1.790 -2.853 4.494) 5.616 2.932 ( 0.164 0.222 -0.982) 1.020 2.994 ( 3.314 -4.223 2.222) 5.810 3.004 ( 0.440 -0.545 -0.249) 0.743 3.024 ( 1.695 -1.539 0.201) 2.298 3.049 ( -1.775 0.057 0.953) 2.016 3.124 ( -3.299 5.197 2.602) 6.682 3.146 ( -0.480 -0.084 1.378) 1.462 3.193 ( -2.599 1.956 -0.651) 3.317 3.206 ( -0.745 -0.649 -0.220) 1.012 3.262 ( -0.780 2.864 -0.086) 2.970 3.265 ( -1.085 0.023 -0.635) 1.257 3.294 ( -1.280 0.039 -1.549) 2.010 3.315 ( 0.632 -1.002 0.219) 1.205 3.371 ( -0.960 -1.806 0.472) 2.099 3.390 ( -2.240 0.156 0.342) 2.271 3.394 ( -0.888 -2.760 0.163) 2.904 3.446 ( 4.076 -0.328 -0.727) 4.153 3.458 ( 0.329 -1.309 -2.823) 3.129 3.490 ( 0.448 -0.069 1.251) 1.331 3.507 ( -3.634 2.479 0.729) 4.459 3.529 ( 0.080 1.911 0.689) 2.033 3.579 ( -2.189 2.484 -0.080) 3.312 3.642 ( -1.431 -1.287 -1.528) 2.457 3.654 ( 0.409 0.204 -3.827) 3.854 3.688 ( -3.150 0.925 -0.929) 3.412 3.714 ( -2.629 2.283 -0.293) 3.494 3.761 ( -3.979 0.682 0.578) 4.078 3.793 ( -0.892 -3.276 1.137) 3.581 3.800 ( -0.918 -2.410 0.285) 2.595 3.821 ( 4.395 -1.713 1.569) 4.971 3.865 ( 1.875 -1.363 1.247) 2.632 3.894 ( -1.709 -1.424 -2.419) 3.286 3.913 ( 0.073 0.183 0.792) 0.816 3.955 ( 4.451 -2.123 -0.538) 4.961 3.969 ( 1.163 -2.445 0.397) 2.737 3.995 ( 1.425 0.005 1.181) 1.851 4.074 ( 1.739 -6.194 0.862) 6.491 4.107 ( -0.235 0.472 -0.809) 0.966 4.126 ( 0.413 -0.228 -1.032) 1.134 4.164 ( -1.233 -2.103 -1.657) 2.948 4.178 ( -1.538 0.418 2.886) 3.296 4.268 ( -2.159 2.738 0.046) 3.487 4.329 ( -4.510 3.497 1.362) 5.867 4.398 ( -0.956 0.569 -1.785) 2.104 4.434 ( -3.088 2.670 -2.256) 4.664 4.474 ( -2.584 0.432 3.261) 4.182 4.518 ( -0.342 1.727 1.449) 2.280 4.527 ( -1.303 -0.567 2.274) 2.681 4.572 ( 1.342 -0.837 -1.720) 2.337 4.582 ( 0.295 -5.904 0.798) 5.965 4.702 ( -1.884 4.366 -3.251) 5.761 4.744 ( 4.632 -2.365 -0.904) 5.279 4.815 ( 0.243 0.224 -3.114) 3.131 4.826 ( 0.986 3.027 -0.097) 3.185 4.864 ( 0.979 2.318 0.387) 2.546 4.985 ( -3.584 2.834 -0.567) 4.604 5.039 ( 3.040 -1.950 -0.844) 3.709 5.079 ( 1.137 -3.788 -2.144) 4.499 5.098 ( -0.483 -0.261 -1.323) 1.432 5.158 ( -2.301 1.303 -0.622) 2.717 5.166 ( -0.555 2.712 3.129) 4.178 5.204 ( -2.138 -2.952 2.569) 4.459 5.219 ( -1.530 -1.189 -2.525) 3.183 5.237 ( 2.746 -3.170 -0.890) 4.287 5.311 ( -0.276 0.285 1.471) 1.523 5.350 ( -1.779 -6.455 0.198) 6.698 5.383 ( -0.373 -3.065 1.658) 3.505 5.504 ( 6.887 1.236 4.768) 8.467 5.543 ( 4.344 0.111 2.512) 5.019 5.608 ( 3.890 1.014 2.360) 4.662 5.655 ( 1.631 -0.737 1.986) 2.673 5.705 ( -2.469 0.094 -1.911) 3.124 5.742 ( -2.846 -1.267 -3.818) 4.928 5.823 ( 4.065 0.708 -1.336) 4.337 5.862 ( 2.250 -0.501 -0.353) 2.332 6.109 ( 2.620 1.710 -3.465) 4.669 6.179 ( -2.396 -1.126 -0.719) 2.743 6.285 ( -1.645 0.370 0.753) 1.846 6.308 ( -2.911 -0.644 1.504) 3.339 6.618 ( 0.325 1.294 -0.231) 1.354 6.640 ( -0.611 0.216 0.248) 0.694 6.722 ( 0.369 0.406 -0.255) 0.605 6.740 ( -1.031 -0.600 0.564) 1.320 7.795 ( 0.115 0.100 -0.109) 0.187 7.810 ( 0.097 -0.451 0.013) 0.462 7.839 ( 0.308 -1.115 0.145) 1.166 7.844 ( -0.855 -0.779 -0.025) 1.156 7.879 ( -0.523 -1.968 -0.109) 2.039 7.886 ( -0.138 -1.530 0.123) 1.541 7.910 ( -0.138 -1.280 -0.061) 1.289 7.930 ( 0.206 -1.704 0.012) 1.717 8.855 ( 0.454 -0.350 -0.035) 0.575 8.875 ( 0.557 -0.337 -0.348) 0.738 8.882 ( 0.231 -1.160 0.416) 1.254 8.913 ( 0.552 -1.850 0.003) 1.931 9.162 ( 0.636 3.154 -0.302) 3.232 9.195 ( 1.207 1.123 -0.207) 1.661 9.235 ( 0.525 3.086 0.293) 3.144 9.276 ( 1.082 0.577 0.370) 1.281 9.341 ( 0.462 3.854 -0.080) 3.882 9.363 ( 0.722 4.864 0.133) 4.919 9.437 ( -0.958 0.495 -0.141) 1.087 9.478 ( -0.711 -0.580 0.210) 0.941 9.565 ( 1.502 1.129 -0.099) 1.881 9.589 ( 1.468 -0.237 -0.213) 1.502 9.643 ( -2.574 -2.633 -0.054) 3.682 9.700 ( -3.330 -4.374 0.117) 5.499 9.798 ( 2.161 0.395 -0.401) 2.233 9.810 ( 2.148 -0.040 -0.043) 2.149 9.874 ( 2.441 -1.299 1.160) 2.998 9.894 ( 2.985 -2.282 -0.810) 3.844 9.984 ( -1.239 2.013 0.205) 2.372 10.108 ( -2.455 -0.821 -0.077) 2.590 10.140 ( -3.526 -1.072 0.153) 3.688 10.206 ( -2.909 -1.923 -0.356) 3.505 10.301 ( 2.425 2.920 0.521) 3.831 10.305 ( 2.891 3.444 0.303) 4.507 10.351 ( 2.056 1.383 -0.631) 2.556 10.407 ( 1.358 -1.122 -0.574) 1.853 10.659 ( -0.859 1.430 0.507) 1.744 10.689 ( -1.398 2.195 0.106) 2.605 10.719 ( -1.519 -0.257 0.018) 1.540 10.753 ( -3.055 0.398 -0.635) 3.146 10.831 ( 1.350 3.677 0.563) 3.957 10.879 ( 0.752 1.933 -0.043) 2.074 10.920 ( 0.878 0.822 0.389) 1.264 10.949 ( -0.152 2.304 -0.198) 2.317 11.148 ( -0.305 2.139 -0.118) 2.163 11.180 ( -0.803 1.749 -0.172) 1.932 11.228 ( -0.997 0.591 -0.111) 1.164 11.235 ( -1.021 0.330 0.200) 1.092======================= Grid point 17 (12/35) =======================q-point: (-0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 0.000 5.565 0.000) 5.565 1.385 ( -0.000 8.482 -0.000) 8.482 1.391 ( 0.000 8.260 -0.000) 8.260 1.415 ( -0.000 1.931 0.000) 1.931 1.570 ( 0.000 6.461 -0.000) 6.461 1.602 ( 0.000 8.027 0.000) 8.027 1.659 ( 0.000 2.218 0.000) 2.218 1.692 ( -0.000 6.165 0.000) 6.165 1.698 ( -0.000 7.240 -0.000) 7.240 1.813 ( 0.000 -0.705 -0.000) 0.705 1.823 ( 0.000 10.375 0.000) 10.375 1.926 ( 0.000 -6.639 0.000) 6.639 2.012 ( 0.000 8.957 -0.000) 8.957 2.051 ( 0.000 9.822 0.000) 9.822 2.106 ( -0.000 -4.847 -0.000) 4.847 2.126 ( 0.000 0.115 0.000) 0.115 2.166 ( 0.000 4.114 -0.000) 4.114 2.186 ( -0.000 -5.515 0.000) 5.515 2.225 ( 0.000 -1.805 -0.000) 1.805 2.226 ( -0.000 -4.291 0.000) 4.291 2.329 ( 0.000 2.972 -0.000) 2.972 2.334 ( -0.000 -1.438 0.000) 1.438 2.475 ( 0.000 4.955 -0.000) 4.955 2.516 ( -0.000 -0.666 0.000) 0.666 2.529 ( 0.000 0.695 0.000) 0.695 2.538 ( 0.000 0.210 0.000) 0.210 2.548 ( 0.000 -3.576 -0.000) 3.576 2.590 ( 0.000 -3.124 0.000) 3.124 2.607 ( 0.000 2.207 -0.000) 2.207 2.640 ( -0.000 -5.554 0.000) 5.554 2.653 ( 0.000 1.589 -0.000) 1.589 2.743 ( 0.000 -1.731 -0.000) 1.731 2.772 ( -0.000 3.085 0.000) 3.085 2.818 ( 0.000 -3.588 0.000) 3.588 2.858 ( 0.000 2.663 -0.000) 2.663 2.897 ( 0.000 -0.039 0.000) 0.039 2.925 ( 0.000 0.002 -0.000) 0.002 2.942 ( 0.000 0.192 0.000) 0.192 2.960 ( 0.000 1.174 -0.000) 1.174 3.010 ( 0.000 -3.877 -0.000) 3.877 3.060 ( 0.000 -8.266 0.000) 8.266 3.072 ( -0.000 -0.498 -0.000) 0.498 3.087 ( 0.000 4.088 0.000) 4.088 3.141 ( 0.000 -1.221 -0.000) 1.221 3.178 ( -0.000 5.864 -0.000) 5.864 3.205 ( 0.000 6.516 0.000) 6.516 3.229 ( 0.000 -4.848 0.000) 4.848 3.244 ( 0.000 1.149 -0.000) 1.149 3.290 ( 0.000 -1.610 0.000) 1.610 3.314 ( -0.000 -2.139 0.000) 2.139 3.323 ( 0.000 2.093 -0.000) 2.093 3.361 ( 0.000 -0.366 -0.000) 0.366 3.425 ( 0.000 2.175 0.000) 2.175 3.429 ( -0.000 -0.833 -0.000) 0.833 3.453 ( 0.000 -4.380 0.000) 4.380 3.488 ( 0.000 -0.537 -0.000) 0.537 3.518 ( 0.000 3.909 -0.000) 3.909 3.569 ( 0.000 -1.622 -0.000) 1.622 3.612 ( 0.000 -0.644 0.000) 0.644 3.613 ( -0.000 6.023 -0.000) 6.023 3.629 ( -0.000 -2.306 -0.000) 2.306 3.645 ( 0.000 2.222 0.000) 2.222 3.676 ( 0.000 1.611 -0.000) 1.611 3.679 ( -0.000 -1.014 0.000) 1.014 3.769 ( 0.000 -2.718 0.000) 2.718 3.794 ( 0.000 -4.332 -0.000) 4.332 3.859 ( 0.000 -2.863 -0.000) 2.863 3.882 ( 0.000 -0.909 0.000) 0.909 3.894 ( 0.000 -0.542 -0.000) 0.542 3.917 ( 0.000 0.941 -0.000) 0.941 3.986 ( 0.000 -7.195 0.000) 7.195 3.999 ( 0.000 -0.487 0.000) 0.487 4.035 ( 0.000 -2.029 0.000) 2.029 4.099 ( 0.000 -1.676 -0.000) 1.676 4.114 ( 0.000 -0.760 0.000) 0.760 4.121 ( -0.000 3.633 -0.000) 3.633 4.142 ( 0.000 -1.912 0.000) 1.912 4.185 ( 0.000 1.149 -0.000) 1.149 4.245 ( 0.000 3.143 -0.000) 3.143 4.256 ( -0.000 4.889 -0.000) 4.889 4.387 ( 0.000 -0.630 -0.000) 0.630 4.410 ( 0.000 -0.650 -0.000) 0.650 4.450 ( 0.000 -4.450 0.000) 4.450 4.493 ( -0.000 2.852 -0.000) 2.852 4.509 ( 0.000 2.906 0.000) 2.906 4.571 ( 0.000 -6.529 -0.000) 6.529 4.581 ( 0.000 -0.926 0.000) 0.926 4.685 ( 0.000 4.410 -0.000) 4.410 4.772 ( 0.000 -1.044 -0.000) 1.044 4.841 ( -0.000 4.265 0.000) 4.265 4.853 ( 0.000 -2.088 0.000) 2.088 4.873 ( 0.000 1.484 -0.000) 1.484 4.933 ( 0.000 3.845 -0.000) 3.845 5.072 ( 0.000 -3.809 0.000) 3.809 5.093 ( 0.000 -0.617 -0.000) 0.617 5.114 ( 0.000 0.129 0.000) 0.129 5.121 ( 0.000 -0.148 0.000) 0.148 5.156 ( -0.000 -1.428 -0.000) 1.428 5.187 ( -0.000 -0.746 -0.000) 0.746 5.196 ( 0.000 0.083 0.000) 0.083 5.288 ( 0.000 -2.365 -0.000) 2.365 5.298 ( -0.000 -4.172 0.000) 4.172 5.330 ( 0.000 -3.029 0.000) 3.029 5.380 ( 0.000 -3.762 0.000) 3.762 5.604 ( 0.000 1.860 0.000) 1.860 5.621 ( 0.000 1.193 0.000) 1.193 5.632 ( 0.000 -0.420 0.000) 0.420 5.640 ( -0.000 0.280 -0.000) 0.280 5.672 ( -0.000 1.393 -0.000) 1.393 5.700 ( -0.000 -1.216 -0.000) 1.216 5.882 ( -0.000 0.522 0.000) 0.522 5.888 ( 0.000 -0.101 -0.000) 0.101 6.141 ( 0.000 0.816 0.000) 0.816 6.169 ( 0.000 -1.189 -0.000) 1.189 6.246 ( -0.000 0.051 0.000) 0.051 6.269 ( -0.000 -0.765 -0.000) 0.765 6.623 ( 0.000 1.008 -0.000) 1.008 6.633 ( 0.000 0.450 0.000) 0.450 6.726 ( 0.000 0.070 -0.000) 0.070 6.726 ( 0.000 -0.124 0.000) 0.124 7.797 ( 0.000 -0.428 -0.000) 0.428 7.814 ( 0.000 -0.377 -0.000) 0.377 7.827 ( 0.000 -1.459 0.000) 1.459 7.845 ( 0.000 0.042 -0.000) 0.042 7.869 ( 0.000 -2.539 0.000) 2.539 7.896 ( -0.000 -2.330 -0.000) 2.330 7.902 ( 0.000 -0.407 0.000) 0.407 7.932 ( 0.000 -1.613 0.000) 1.613 8.861 ( 0.000 -0.571 -0.000) 0.571 8.881 ( 0.000 -1.630 -0.000) 1.630 8.885 ( 0.000 -0.228 0.000) 0.228 8.919 ( 0.000 -2.151 0.000) 2.151 9.170 ( 0.000 3.177 0.000) 3.177 9.209 ( 0.000 1.524 -0.000) 1.524 9.242 ( 0.000 3.038 0.000) 3.038 9.289 ( 0.000 1.346 -0.000) 1.346 9.345 ( 0.000 3.643 -0.000) 3.643 9.372 ( 0.000 4.322 0.000) 4.322 9.429 ( 0.000 0.395 0.000) 0.395 9.474 ( 0.000 0.433 0.000) 0.433 9.590 ( -0.000 -0.338 -0.000) 0.338 9.598 ( 0.000 -1.798 0.000) 1.798 9.632 ( 0.000 -2.533 0.000) 2.533 9.637 ( -0.000 -4.263 0.000) 4.263 9.848 ( -0.000 0.489 0.000) 0.489 9.851 ( 0.000 0.002 -0.000) 0.002 9.881 ( -0.000 1.233 0.000) 1.233 9.892 ( 0.000 2.071 -0.000) 2.071 10.015 ( 0.000 -1.399 0.000) 1.399 10.078 ( 0.000 -4.334 -0.000) 4.334 10.084 ( 0.000 1.236 0.000) 1.236 10.156 ( 0.000 -3.879 0.000) 3.879 10.344 ( 0.000 3.465 0.000) 3.465 10.359 ( -0.000 3.023 -0.000) 3.023 10.365 ( 0.000 1.443 0.000) 1.443 10.409 ( 0.000 -0.000 0.000) 0.000 10.639 ( 0.000 3.160 0.000) 3.160 10.669 ( 0.000 1.805 0.000) 1.805 10.706 ( 0.000 -0.424 0.000) 0.424 10.723 ( 0.000 -0.294 -0.000) 0.294 10.858 ( 0.000 3.097 0.000) 3.097 10.877 ( -0.000 3.688 -0.000) 3.688 10.929 ( 0.000 0.663 0.000) 0.663 10.943 ( 0.000 2.679 0.000) 2.679 11.148 ( 0.000 1.492 -0.000) 1.492 11.168 ( 0.000 2.506 -0.000) 2.506 11.217 ( 0.000 -0.780 -0.000) 0.780 11.220 ( 0.000 0.077 0.000) 0.077======================= Grid point 20 (13/35) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( 0.000 -2.530 0.000) 2.530 1.263 ( 0.000 2.530 0.000) 2.530 1.548 ( 0.000 -10.415 0.000) 10.415 1.548 ( 0.000 10.415 0.000) 10.415 1.567 ( 0.000 -6.518 0.000) 6.518 1.567 ( 0.000 6.518 0.000) 6.518 1.722 ( 0.000 -6.133 0.000) 6.133 1.722 ( 0.000 6.133 0.000) 6.133 1.805 ( 0.000 -4.585 0.000) 4.585 1.805 ( 0.000 4.585 0.000) 4.585 1.838 ( 0.000 -0.467 0.000) 0.467 1.838 ( 0.000 0.467 0.000) 0.467 2.048 ( 0.000 -2.900 0.000) 2.900 2.048 ( 0.000 2.900 0.000) 2.900 2.111 ( 0.000 -0.211 0.000) 0.211 2.111 ( 0.000 0.211 0.000) 0.211 2.175 ( 0.000 -0.687 0.000) 0.687 2.175 ( 0.000 0.687 0.000) 0.687 2.302 ( 0.000 -2.787 0.000) 2.787 2.302 ( 0.000 2.787 0.000) 2.787 2.348 ( 0.000 -6.316 0.000) 6.316 2.348 ( 0.000 6.316 0.000) 6.316 2.425 ( 0.000 -2.462 0.000) 2.462 2.425 ( 0.000 2.462 0.000) 2.462 2.493 ( 0.000 -3.119 0.000) 3.119 2.493 ( 0.000 3.119 0.000) 3.119 2.556 ( 0.000 -4.372 0.000) 4.372 2.556 ( 0.000 4.372 0.000) 4.372 2.665 ( 0.000 -6.895 0.000) 6.895 2.665 ( 0.000 6.895 0.000) 6.895 2.715 ( 0.000 -4.449 0.000) 4.449 2.715 ( 0.000 4.449 0.000) 4.449 2.766 ( 0.000 -3.374 0.000) 3.374 2.766 ( 0.000 3.374 0.000) 3.374 2.811 ( 0.000 -2.266 0.000) 2.266 2.811 ( 0.000 2.266 0.000) 2.266 2.888 ( 0.000 -1.820 0.000) 1.820 2.888 ( 0.000 1.820 0.000) 1.820 2.952 ( 0.000 -3.204 0.000) 3.204 2.952 ( 0.000 3.204 0.000) 3.204 3.040 ( 0.000 -2.172 0.000) 2.172 3.040 ( 0.000 2.172 0.000) 2.172 3.189 ( 0.000 -4.103 0.000) 4.103 3.189 ( 0.000 4.103 0.000) 4.103 3.244 ( 0.000 -1.505 0.000) 1.505 3.244 ( 0.000 1.505 0.000) 1.505 3.261 ( 0.000 -0.564 0.000) 0.564 3.261 ( 0.000 0.564 0.000) 0.564 3.305 ( 0.000 -1.024 0.000) 1.024 3.305 ( 0.000 1.024 0.000) 1.024 3.381 ( 0.000 -0.529 0.000) 0.529 3.381 ( 0.000 0.529 0.000) 0.529 3.412 ( 0.000 -2.788 0.000) 2.788 3.412 ( 0.000 2.788 0.000) 2.788 3.495 ( 0.000 -5.755 0.000) 5.755 3.495 ( 0.000 5.755 0.000) 5.755 3.546 ( 0.000 -5.548 0.000) 5.548 3.546 ( 0.000 5.548 0.000) 5.548 3.623 ( 0.000 -1.405 0.000) 1.405 3.623 ( 0.000 1.405 0.000) 1.405 3.676 ( 0.000 -0.845 0.000) 0.845 3.676 ( 0.000 0.845 0.000) 0.845 3.777 ( 0.000 -0.639 0.000) 0.639 3.777 ( 0.000 0.639 0.000) 0.639 3.790 ( 0.000 -0.498 0.000) 0.498 3.790 ( 0.000 0.498 0.000) 0.498 3.855 ( 0.000 -1.837 0.000) 1.837 3.855 ( 0.000 1.837 0.000) 1.837 3.876 ( 0.000 -3.433 0.000) 3.433 3.876 ( 0.000 3.433 0.000) 3.433 3.909 ( 0.000 -2.528 0.000) 2.528 3.909 ( 0.000 2.528 0.000) 2.528 3.983 ( 0.000 -0.122 0.000) 0.122 3.983 ( 0.000 0.122 0.000) 0.122 4.096 ( 0.000 -0.925 0.000) 0.925 4.096 ( 0.000 0.925 0.000) 0.925 4.181 ( 0.000 -0.845 0.000) 0.845 4.181 ( 0.000 0.845 0.000) 0.845 4.381 ( 0.000 -4.542 0.000) 4.542 4.381 ( 0.000 4.542 0.000) 4.542 4.457 ( 0.000 -0.916 0.000) 0.916 4.457 ( 0.000 0.916 0.000) 0.916 4.516 ( 0.000 -1.487 0.000) 1.487 4.516 ( 0.000 1.487 0.000) 1.487 4.544 ( 0.000 -0.415 0.000) 0.415 4.544 ( 0.000 0.415 0.000) 0.415 4.614 ( 0.000 -4.943 0.000) 4.943 4.614 ( 0.000 4.943 0.000) 4.943 4.787 ( 0.000 -0.368 0.000) 0.368 4.787 ( 0.000 0.368 0.000) 0.368 4.884 ( 0.000 -7.189 0.000) 7.189 4.884 ( 0.000 7.189 0.000) 7.189 4.953 ( 0.000 -6.751 0.000) 6.751 4.953 ( 0.000 6.751 0.000) 6.751 5.094 ( 0.000 -3.939 0.000) 3.939 5.094 ( 0.000 3.939 0.000) 3.939 5.182 ( 0.000 -1.912 0.000) 1.912 5.182 ( 0.000 1.912 0.000) 1.912 5.212 ( 0.000 -3.560 0.000) 3.560 5.212 ( 0.000 3.560 0.000) 3.560 5.274 ( 0.000 -2.963 0.000) 2.963 5.274 ( 0.000 2.963 0.000) 2.963 5.349 ( 0.000 -2.376 0.000) 2.376 5.349 ( 0.000 2.376 0.000) 2.376 5.447 ( 0.000 -2.182 0.000) 2.182 5.447 ( 0.000 2.182 0.000) 2.182 5.578 ( 0.000 -2.137 0.000) 2.137 5.578 ( 0.000 2.137 0.000) 2.137 5.756 ( 0.000 -0.692 0.000) 0.692 5.756 ( 0.000 0.692 0.000) 0.692 5.801 ( 0.000 -1.107 0.000) 1.107 5.801 ( 0.000 1.107 0.000) 1.107 6.153 ( 0.000 -3.177 0.000) 3.177 6.153 ( 0.000 3.177 0.000) 3.177 6.323 ( 0.000 -0.855 0.000) 0.855 6.323 ( 0.000 0.855 0.000) 0.855 6.638 ( 0.000 -0.927 0.000) 0.927 6.638 ( 0.000 0.927 0.000) 0.927 6.734 ( 0.000 -0.937 0.000) 0.937 6.734 ( 0.000 0.937 0.000) 0.937 7.813 ( 0.000 -0.945 0.000) 0.945 7.813 ( 0.000 0.945 0.000) 0.945 7.818 ( 0.000 -1.393 0.000) 1.393 7.818 ( 0.000 1.393 0.000) 1.393 7.881 ( 0.000 -0.588 0.000) 0.588 7.881 ( 0.000 0.588 0.000) 0.588 7.898 ( 0.000 -0.840 0.000) 0.840 7.898 ( 0.000 0.840 0.000) 0.840 8.857 ( 0.000 -0.872 0.000) 0.872 8.857 ( 0.000 0.872 0.000) 0.872 8.880 ( 0.000 -1.080 0.000) 1.080 8.880 ( 0.000 1.080 0.000) 1.080 9.184 ( 0.000 -0.344 0.000) 0.344 9.184 ( 0.000 0.344 0.000) 0.344 9.257 ( 0.000 -0.623 0.000) 0.623 9.257 ( 0.000 0.623 0.000) 0.623 9.419 ( 0.000 -3.660 0.000) 3.660 9.419 ( 0.000 3.660 0.000) 3.660 9.440 ( 0.000 -3.438 0.000) 3.438 9.440 ( 0.000 3.438 0.000) 3.438 9.612 ( 0.000 -3.712 0.000) 3.712 9.612 ( 0.000 3.712 0.000) 3.712 9.638 ( 0.000 -5.301 0.000) 5.301 9.638 ( 0.000 5.301 0.000) 5.301 9.780 ( 0.000 -0.641 0.000) 0.641 9.780 ( 0.000 0.641 0.000) 0.641 9.813 ( 0.000 -0.078 0.000) 0.078 9.813 ( 0.000 0.078 0.000) 0.078 10.076 ( 0.000 -3.296 0.000) 3.296 10.076 ( 0.000 3.296 0.000) 3.296 10.222 ( 0.000 -0.031 0.000) 0.031 10.222 ( 0.000 0.031 0.000) 0.031 10.318 ( 0.000 -2.239 0.000) 2.239 10.318 ( 0.000 2.239 0.000) 2.239 10.329 ( 0.000 -0.195 0.000) 0.195 10.329 ( 0.000 0.195 0.000) 0.195 10.685 ( 0.000 -2.589 0.000) 2.589 10.685 ( 0.000 2.589 0.000) 2.589 10.774 ( 0.000 -3.811 0.000) 3.811 10.774 ( 0.000 3.811 0.000) 3.811 10.855 ( 0.000 -0.609 0.000) 0.609 10.855 ( 0.000 0.609 0.000) 0.609 10.957 ( 0.000 -1.271 0.000) 1.271 10.957 ( 0.000 1.271 0.000) 1.271 11.187 ( 0.000 -0.987 0.000) 0.987 11.187 ( 0.000 0.987 0.000) 0.987 11.262 ( 0.000 -0.061 0.000) 0.061 11.262 ( 0.000 0.061 0.000) 0.061======================= Grid point 22 (14/35) =======================q-point: ( 0.25 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( 4.794 -1.513 -2.337) 5.544 1.319 ( 4.794 1.513 -2.337) 5.544 1.528 ( -3.199 -3.614 3.527) 5.978 1.528 ( -3.199 3.614 3.527) 5.978 1.610 ( 4.897 -9.860 2.417) 11.271 1.610 ( 4.897 9.860 2.417) 11.271 1.704 ( -0.783 -6.362 -1.522) 6.589 1.704 ( -0.783 6.362 -1.522) 6.589 1.789 ( -1.443 -1.281 -2.766) 3.372 1.789 ( -1.443 1.281 -2.766) 3.372 1.930 ( 8.809 -2.713 -1.479) 9.335 1.930 ( 8.809 2.713 -1.479) 9.335 1.985 ( -6.155 -2.944 0.342) 6.831 1.985 ( -6.155 2.944 0.342) 6.831 2.118 ( 0.954 -2.106 2.213) 3.200 2.118 ( 0.954 2.106 2.213) 3.200 2.173 ( -0.244 -2.252 -1.705) 2.835 2.173 ( -0.244 2.252 -1.705) 2.835 2.273 ( -2.272 -2.638 -2.134) 4.083 2.273 ( -2.272 2.638 -2.134) 4.083 2.368 ( -0.787 -5.812 1.154) 5.977 2.368 ( -0.787 5.812 1.154) 5.977 2.454 ( 2.063 -1.753 2.647) 3.786 2.454 ( 2.063 1.753 2.647) 3.786 2.490 ( 2.839 -1.758 1.008) 3.489 2.490 ( 2.839 1.758 1.008) 3.489 2.574 ( -0.554 -1.433 -0.714) 1.695 2.574 ( -0.554 1.433 -0.714) 1.695 2.630 ( -2.110 -1.222 -2.645) 3.597 2.630 ( -2.110 1.222 -2.645) 3.597 2.725 ( 0.550 -5.187 -0.774) 5.273 2.725 ( 0.550 5.187 -0.774) 5.273 2.769 ( 0.414 -3.225 0.556) 3.298 2.769 ( 0.414 3.225 0.556) 3.298 2.846 ( 1.686 -3.541 1.819) 4.323 2.846 ( 1.686 3.541 1.819) 4.323 2.896 ( 1.823 -2.429 0.196) 3.044 2.896 ( 1.823 2.429 0.196) 3.044 2.971 ( 1.939 -2.185 0.691) 3.002 2.971 ( 1.939 2.185 0.691) 3.002 3.033 ( -1.277 -2.175 -0.538) 2.579 3.033 ( -1.277 2.175 -0.538) 2.579 3.165 ( -1.381 -0.900 0.983) 1.919 3.165 ( -1.381 0.900 0.983) 1.919 3.200 ( -2.982 -2.831 1.413) 4.348 3.200 ( -2.982 2.831 1.413) 4.348 3.267 ( -0.495 -1.047 -1.039) 1.556 3.267 ( -0.495 1.047 -1.039) 1.556 3.309 ( -0.726 -1.394 1.340) 2.065 3.309 ( -0.726 1.394 1.340) 2.065 3.389 ( -0.174 -1.964 0.216) 1.983 3.389 ( -0.174 1.964 0.216) 1.983 3.413 ( 1.248 -3.352 -0.424) 3.602 3.413 ( 1.248 3.352 -0.424) 3.602 3.454 ( -2.931 -3.014 -0.474) 4.231 3.454 ( -2.931 3.014 -0.474) 4.231 3.561 ( -0.465 -3.324 -1.272) 3.590 3.561 ( -0.465 3.324 -1.272) 3.590 3.594 ( 2.494 -3.109 -0.860) 4.077 3.594 ( 2.494 3.109 -0.860) 4.077 3.706 ( -3.769 -2.438 -1.824) 4.845 3.706 ( -3.769 2.438 -1.824) 4.845 3.736 ( -0.305 -2.224 0.239) 2.258 3.736 ( -0.305 2.224 0.239) 2.258 3.777 ( -1.890 -1.131 0.441) 2.247 3.777 ( -1.890 1.131 0.441) 2.247 3.835 ( -1.956 -4.296 0.936) 4.812 3.835 ( -1.956 4.296 0.936) 4.812 3.875 ( 0.638 -1.891 -0.802) 2.151 3.875 ( 0.638 1.891 -0.802) 2.151 3.951 ( 1.704 -3.472 1.896) 4.307 3.951 ( 1.704 3.472 1.896) 4.307 3.989 ( 3.142 -1.388 -0.419) 3.460 3.989 ( 3.142 1.388 -0.419) 3.460 4.125 ( 1.655 -1.251 -3.544) 4.107 4.125 ( 1.655 1.251 -3.544) 4.107 4.160 ( -0.872 -2.303 2.570) 3.559 4.160 ( -0.872 2.303 2.570) 3.559 4.352 ( -2.003 -4.263 0.545) 4.741 4.352 ( -2.003 4.263 0.545) 4.741 4.423 ( -1.944 -4.504 0.551) 4.936 4.423 ( -1.944 4.504 0.551) 4.936 4.463 ( -5.263 -1.469 1.660) 5.711 4.463 ( -5.263 1.469 1.660) 5.711 4.552 ( 0.272 -1.503 -0.889) 1.767 4.552 ( 0.272 1.503 -0.889) 1.767 4.643 ( 1.526 -7.148 -0.441) 7.322 4.643 ( 1.526 7.148 -0.441) 7.322 4.784 ( 0.234 -2.932 -1.313) 3.221 4.784 ( 0.234 2.932 -1.313) 3.221 4.901 ( 0.855 -3.381 -1.005) 3.630 4.901 ( 0.855 3.381 -1.005) 3.630 4.980 ( 1.962 -3.431 1.313) 4.164 4.980 ( 1.962 3.431 1.313) 4.164 5.082 ( -0.811 -2.731 -4.049) 4.950 5.082 ( -0.811 2.731 -4.049) 4.950 5.153 ( -2.574 -0.565 0.942) 2.798 5.153 ( -2.574 0.565 0.942) 2.798 5.200 ( 0.191 -0.488 0.476) 0.708 5.200 ( 0.191 0.488 0.476) 0.708 5.255 ( -0.745 -3.513 -0.327) 3.606 5.255 ( -0.745 3.513 -0.327) 3.606 5.334 ( -0.914 -2.062 0.895) 2.427 5.334 ( -0.914 2.062 0.895) 2.427 5.531 ( 6.340 -1.309 5.264) 8.343 5.531 ( 6.340 1.309 5.264) 8.343 5.631 ( 2.883 -1.488 1.974) 3.798 5.631 ( 2.883 1.488 1.974) 3.798 5.721 ( -2.392 -1.135 -3.634) 4.496 5.721 ( -2.392 1.135 -3.634) 4.496 5.844 ( 3.356 -1.291 -0.874) 3.701 5.844 ( 3.356 1.291 -0.874) 3.701 6.148 ( -0.167 -2.102 -2.169) 3.025 6.148 ( -0.167 2.102 -2.169) 3.025 6.295 ( -2.652 -0.663 1.374) 3.060 6.295 ( -2.652 0.663 1.374) 3.060 6.637 ( -0.122 -0.600 -0.059) 0.615 6.637 ( -0.122 0.600 -0.059) 0.615 6.730 ( -0.318 -0.460 0.216) 0.600 6.730 ( -0.318 0.460 0.216) 0.600 7.803 ( -0.378 -0.612 -0.091) 0.725 7.803 ( -0.378 0.612 -0.091) 0.725 7.829 ( 0.215 -0.671 0.104) 0.712 7.829 ( 0.215 0.671 0.104) 0.712 7.864 ( -0.748 -0.590 0.006) 0.953 7.864 ( -0.748 0.590 0.006) 0.953 7.906 ( 0.304 -0.721 -0.024) 0.783 7.906 ( 0.304 0.721 -0.024) 0.783 8.858 ( 0.122 -0.713 -0.049) 0.725 8.858 ( 0.122 0.713 -0.049) 0.725 8.885 ( 0.424 -0.975 0.061) 1.065 8.885 ( 0.424 0.975 0.061) 1.065 9.198 ( 1.108 -0.822 -0.198) 1.394 9.198 ( 1.108 0.822 -0.198) 1.394 9.270 ( 1.117 -1.042 0.246) 1.547 9.270 ( 1.117 1.042 0.246) 1.547 9.414 ( -0.404 -3.086 -0.218) 3.120 9.414 ( -0.404 3.086 -0.218) 3.120 9.444 ( 0.287 -3.186 0.246) 3.208 9.444 ( 0.287 3.186 0.246) 3.208 9.598 ( -1.116 -2.029 0.134) 2.320 9.598 ( -1.116 2.029 0.134) 2.320 9.616 ( -1.700 -3.454 -0.210) 3.855 9.616 ( -1.700 3.454 -0.210) 3.855 9.814 ( 2.854 -0.317 -0.288) 2.886 9.814 ( 2.854 0.317 -0.288) 2.886 9.859 ( 4.079 -0.587 0.289) 4.131 9.859 ( 4.079 0.587 0.289) 4.131 10.045 ( -2.677 -3.939 0.340) 4.774 10.045 ( -2.677 3.939 0.340) 4.774 10.166 ( -4.599 -2.242 -0.339) 5.128 10.166 ( -4.599 2.242 -0.339) 5.128 10.336 ( 2.896 -0.503 0.357) 2.961 10.336 ( 2.896 0.503 0.357) 2.961 10.381 ( 2.461 -1.757 -0.586) 3.080 10.381 ( 2.461 1.757 -0.586) 3.080 10.680 ( -0.370 -1.486 0.471) 1.602 10.680 ( -0.370 1.486 0.471) 1.602 10.739 ( -2.678 -1.569 -0.663) 3.174 10.739 ( -2.678 1.569 -0.663) 3.174 10.880 ( 1.806 -1.407 0.953) 2.480 10.880 ( 1.806 1.407 0.953) 2.480 10.955 ( -0.145 -1.489 -0.452) 1.563 10.955 ( -0.145 1.489 -0.452) 1.563 11.184 ( -0.201 -1.166 -0.099) 1.187 11.184 ( -0.201 1.166 -0.099) 1.187 11.241 ( -1.847 -0.166 0.011) 1.855 11.241 ( -1.847 0.166 0.011) 1.855======================= Grid point 24 (15/35) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( 0.000 -4.455 0.000) 4.455 1.390 ( 0.000 4.455 0.000) 4.455 1.477 ( 0.000 -0.083 -0.000) 0.083 1.477 ( 0.000 0.083 -0.000) 0.083 1.646 ( 0.000 -1.537 -0.000) 1.537 1.646 ( 0.000 1.537 0.000) 1.537 1.742 ( 0.000 -7.284 0.000) 7.284 1.742 ( -0.000 7.284 0.000) 7.284 1.772 ( 0.000 -1.872 -0.000) 1.872 1.772 ( 0.000 1.872 0.000) 1.872 1.883 ( -0.000 -4.396 0.000) 4.396 1.883 ( 0.000 4.396 -0.000) 4.396 2.075 ( 0.000 -0.945 -0.000) 0.945 2.075 ( 0.000 0.945 0.000) 0.945 2.146 ( 0.000 -1.198 0.000) 1.198 2.146 ( -0.000 1.198 -0.000) 1.198 2.173 ( 0.000 -2.582 0.000) 2.582 2.173 ( 0.000 2.582 0.000) 2.582 2.193 ( -0.000 -4.379 -0.000) 4.379 2.193 ( -0.000 4.379 -0.000) 4.379 2.352 ( 0.000 -3.313 0.000) 3.313 2.352 ( 0.000 3.313 -0.000) 3.313 2.482 ( 0.000 -1.300 0.000) 1.300 2.482 ( 0.000 1.300 -0.000) 1.300 2.544 ( 0.000 -0.960 -0.000) 0.960 2.544 ( -0.000 0.960 -0.000) 0.960 2.556 ( 0.000 -1.453 0.000) 1.453 2.556 ( 0.000 1.453 -0.000) 1.453 2.604 ( 0.000 -5.264 0.000) 5.264 2.604 ( 0.000 5.264 -0.000) 5.264 2.721 ( 0.000 -6.141 -0.000) 6.141 2.721 ( -0.000 6.141 0.000) 6.141 2.778 ( 0.000 -4.742 -0.000) 4.742 2.778 ( 0.000 4.742 0.000) 4.742 2.862 ( 0.000 -1.144 0.000) 1.144 2.862 ( 0.000 1.144 -0.000) 1.144 2.955 ( 0.000 -0.159 -0.000) 0.159 2.955 ( -0.000 0.159 0.000) 0.159 2.956 ( -0.000 -1.238 0.000) 1.238 2.956 ( 0.000 1.238 -0.000) 1.238 3.029 ( 0.000 -4.588 -0.000) 4.588 3.029 ( 0.000 4.588 0.000) 4.588 3.143 ( 0.000 -1.200 0.000) 1.200 3.143 ( -0.000 1.200 0.000) 1.200 3.171 ( 0.000 -2.730 -0.000) 2.730 3.171 ( 0.000 2.730 -0.000) 2.730 3.252 ( 0.000 -1.075 0.000) 1.075 3.252 ( 0.000 1.075 0.000) 1.075 3.290 ( 0.000 -3.269 0.000) 3.269 3.290 ( 0.000 3.269 -0.000) 3.269 3.374 ( 0.000 -0.866 0.000) 0.866 3.374 ( 0.000 0.866 0.000) 0.866 3.412 ( 0.000 -2.957 -0.000) 2.957 3.412 ( 0.000 2.957 -0.000) 2.957 3.477 ( 0.000 -1.087 0.000) 1.087 3.477 ( 0.000 1.087 -0.000) 1.087 3.575 ( 0.000 -2.125 -0.000) 2.125 3.575 ( 0.000 2.125 0.000) 2.125 3.588 ( 0.000 -2.803 -0.000) 2.803 3.588 ( -0.000 2.803 0.000) 2.803 3.673 ( 0.000 -0.860 -0.000) 0.860 3.673 ( 0.000 0.860 0.000) 0.860 3.713 ( 0.000 -4.095 0.000) 4.095 3.713 ( -0.000 4.095 -0.000) 4.095 3.754 ( 0.000 -5.468 -0.000) 5.468 3.754 ( -0.000 5.468 0.000) 5.468 3.806 ( 0.000 -5.051 -0.000) 5.051 3.806 ( 0.000 5.051 -0.000) 5.051 3.887 ( 0.000 -0.287 0.000) 0.287 3.887 ( 0.000 0.287 0.000) 0.287 3.969 ( 0.000 -1.974 -0.000) 1.974 3.969 ( 0.000 1.974 -0.000) 1.974 4.041 ( 0.000 -2.702 0.000) 2.702 4.041 ( 0.000 2.702 -0.000) 2.702 4.110 ( 0.000 -0.354 0.000) 0.354 4.110 ( 0.000 0.354 -0.000) 0.354 4.196 ( 0.000 -1.761 -0.000) 1.761 4.196 ( 0.000 1.761 -0.000) 1.761 4.335 ( 0.000 -1.101 -0.000) 1.101 4.335 ( 0.000 1.101 0.000) 1.101 4.375 ( 0.000 -0.850 0.000) 0.850 4.375 ( 0.000 0.850 -0.000) 0.850 4.405 ( 0.000 -2.825 0.000) 2.825 4.405 ( 0.000 2.825 -0.000) 2.825 4.549 ( -0.000 -2.102 -0.000) 2.102 4.549 ( 0.000 2.102 0.000) 2.102 4.655 ( 0.000 -7.901 0.000) 7.901 4.655 ( 0.000 7.901 -0.000) 7.901 4.795 ( 0.000 -4.188 0.000) 4.188 4.795 ( 0.000 4.188 -0.000) 4.188 4.906 ( 0.000 -0.520 -0.000) 0.520 4.906 ( 0.000 0.520 0.000) 0.520 4.992 ( 0.000 -3.095 -0.000) 3.095 4.992 ( 0.000 3.095 0.000) 3.095 5.091 ( 0.000 -1.237 -0.000) 1.237 5.091 ( 0.000 1.237 -0.000) 1.237 5.115 ( -0.000 -0.526 0.000) 0.526 5.115 ( -0.000 0.526 0.000) 0.526 5.205 ( 0.000 -0.418 -0.000) 0.418 5.205 ( 0.000 0.418 -0.000) 0.418 5.252 ( 0.000 -0.158 0.000) 0.158 5.252 ( 0.000 0.158 0.000) 0.158 5.327 ( 0.000 -1.736 0.000) 1.736 5.327 ( 0.000 1.736 -0.000) 1.736 5.618 ( 0.000 -0.116 0.000) 0.116 5.618 ( 0.000 0.116 0.000) 0.116 5.642 ( 0.000 -0.313 0.000) 0.313 5.642 ( -0.000 0.313 0.000) 0.313 5.692 ( -0.000 -0.312 -0.000) 0.312 5.692 ( -0.000 0.312 -0.000) 0.312 5.886 ( 0.000 -0.061 0.000) 0.061 5.886 ( 0.000 0.061 0.000) 0.061 6.153 ( 0.000 -0.591 0.000) 0.591 6.153 ( 0.000 0.591 -0.000) 0.591 6.254 ( 0.000 -0.738 0.000) 0.738 6.254 ( -0.000 0.738 0.000) 0.738 6.635 ( 0.000 -0.274 0.000) 0.274 6.635 ( 0.000 0.274 0.000) 0.274 6.726 ( 0.000 -0.021 -0.000) 0.021 6.726 ( 0.000 0.021 -0.000) 0.021 7.800 ( 0.000 -0.875 -0.000) 0.875 7.800 ( 0.000 0.875 0.000) 0.875 7.826 ( 0.000 -1.549 -0.000) 1.549 7.826 ( 0.000 1.549 -0.000) 1.549 7.861 ( 0.000 -1.277 0.000) 1.277 7.861 ( 0.000 1.277 -0.000) 1.277 7.908 ( 0.000 -0.891 0.000) 0.891 7.908 ( 0.000 0.891 0.000) 0.891 8.860 ( 0.000 -0.536 -0.000) 0.536 8.860 ( 0.000 0.536 -0.000) 0.536 8.890 ( 0.000 -0.864 -0.000) 0.864 8.890 ( 0.000 0.864 0.000) 0.864 9.211 ( 0.000 -1.141 0.000) 1.141 9.211 ( 0.000 1.141 0.000) 1.141 9.284 ( 0.000 -1.504 0.000) 1.504 9.284 ( 0.000 1.504 -0.000) 1.504 9.409 ( 0.000 -2.624 -0.000) 2.624 9.409 ( 0.000 2.624 0.000) 2.624 9.448 ( 0.000 -3.311 0.000) 3.311 9.448 ( 0.000 3.311 0.000) 3.311 9.584 ( 0.000 -0.704 -0.000) 0.704 9.584 ( 0.000 0.704 0.000) 0.704 9.596 ( 0.000 -1.186 0.000) 1.186 9.596 ( 0.000 1.186 0.000) 1.186 9.852 ( 0.000 -0.013 0.000) 0.013 9.852 ( 0.000 0.013 0.000) 0.013 9.920 ( 0.000 -0.958 0.000) 0.958 9.920 ( -0.000 0.958 -0.000) 0.958 10.005 ( 0.000 -2.143 -0.000) 2.143 10.005 ( 0.000 2.143 -0.000) 2.143 10.105 ( 0.000 -1.508 0.000) 1.508 10.105 ( 0.000 1.508 0.000) 1.508 10.384 ( 0.000 -0.088 0.000) 0.088 10.384 ( 0.000 0.088 0.000) 0.088 10.396 ( -0.000 -1.313 -0.000) 1.313 10.396 ( 0.000 1.313 0.000) 1.313 10.680 ( -0.000 -1.646 -0.000) 1.646 10.680 ( 0.000 1.646 0.000) 1.646 10.702 ( 0.000 -1.669 0.000) 1.669 10.702 ( 0.000 1.669 0.000) 1.669 10.901 ( 0.000 -1.214 -0.000) 1.214 10.901 ( 0.000 1.214 -0.000) 1.214 10.953 ( 0.000 -1.318 0.000) 1.318 10.953 ( 0.000 1.318 0.000) 1.318 11.184 ( 0.000 -1.144 0.000) 1.144 11.184 ( 0.000 1.144 -0.000) 1.144 11.216 ( 0.000 -0.233 0.000) 0.233 11.216 ( 0.000 0.233 0.000) 0.233======================= Grid point 45 (16/35) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.439 ( 1.077 0.000 17.977) 18.010 0.519 ( -1.456 0.000 21.430) 21.479 0.797 ( -0.132 0.000 -9.236) 9.237 0.944 ( 3.987 0.000 33.864) 34.097 0.959 ( 1.200 0.000 -15.353) 15.400 1.313 ( -1.102 0.000 1.605) 1.947 1.364 ( 1.994 0.000 -1.439) 2.459 1.564 ( 2.951 0.000 -7.176) 7.759 1.616 ( -5.240 0.000 0.241) 5.246 1.710 ( -0.906 0.000 -2.916) 3.054 1.719 ( -3.228 0.000 1.574) 3.592 1.766 ( -2.917 0.000 -13.995) 14.295 1.833 ( -1.564 0.000 2.881) 3.278 1.898 ( 3.940 0.000 -2.576) 4.708 1.929 ( 5.599 0.000 -0.638) 5.635 1.942 ( -8.110 0.000 0.882) 8.158 2.005 ( 2.438 0.000 5.451) 5.972 2.156 ( -0.211 0.000 -1.622) 1.636 2.216 ( -1.868 0.000 -1.411) 2.341 2.223 ( 0.126 0.000 -1.417) 1.422 2.322 ( -0.250 0.000 0.691) 0.735 2.322 ( -0.399 0.000 1.797) 1.841 2.399 ( 0.523 0.000 1.899) 1.970 2.436 ( -1.092 0.000 2.032) 2.306 2.522 ( 3.099 0.000 3.384) 4.588 2.524 ( 4.062 0.000 -4.056) 5.740 2.555 ( -2.302 0.000 -0.223) 2.313 2.587 ( 2.194 0.000 0.322) 2.217 2.612 ( 1.800 0.000 -3.163) 3.639 2.642 ( -1.375 0.000 -4.286) 4.501 2.714 ( -1.241 0.000 3.804) 4.001 2.717 ( 4.493 0.000 2.293) 5.045 2.781 ( -2.282 0.000 2.144) 3.131 2.836 ( 1.327 0.000 -1.716) 2.169 2.865 ( -1.988 0.000 -5.167) 5.536 2.881 ( -4.506 0.000 -4.807) 6.589 2.958 ( -0.533 0.000 1.945) 2.017 3.014 ( 5.504 0.000 -1.121) 5.617 3.039 ( -1.667 0.000 2.709) 3.180 3.069 ( 3.608 0.000 -1.131) 3.781 3.108 ( -1.013 0.000 -2.644) 2.831 3.123 ( -1.721 0.000 -1.456) 2.254 3.124 ( -1.272 0.000 0.537) 1.381 3.135 ( 2.687 0.000 -3.273) 4.234 3.224 ( -4.828 0.000 1.050) 4.941 3.261 ( 2.039 0.000 0.279) 2.058 3.271 ( 5.180 0.000 2.307) 5.670 3.276 ( -3.360 0.000 2.911) 4.446 3.344 ( 0.295 0.000 -1.025) 1.067 3.371 ( -10.456 0.000 -3.299) 10.964 3.426 ( 3.693 0.000 1.321) 3.922 3.427 ( -0.855 0.000 0.246) 0.890 3.470 ( -0.546 0.000 0.453) 0.710 3.504 ( 1.729 0.000 -1.719) 2.438 3.528 ( -4.517 0.000 3.492) 5.709 3.563 ( 2.434 0.000 3.804) 4.517 3.565 ( 1.586 0.000 4.550) 4.818 3.577 ( 4.914 0.000 1.267) 5.075 3.616 ( 1.631 0.000 1.609) 2.291 3.681 ( 2.830 0.000 2.515) 3.786 3.702 ( 2.267 0.000 -5.367) 5.826 3.705 ( -2.565 0.000 1.318) 2.883 3.749 ( 0.292 0.000 0.828) 0.878 3.780 ( -3.105 0.000 -2.523) 4.001 3.809 ( -4.757 0.000 -0.871) 4.836 3.826 ( -2.374 0.000 -2.151) 3.204 3.866 ( 1.945 0.000 -2.565) 3.219 3.877 ( 1.448 0.000 -2.455) 2.851 3.922 ( -3.226 0.000 6.413) 7.179 4.001 ( 0.710 0.000 -1.264) 1.450 4.030 ( 5.046 0.000 1.120) 5.169 4.087 ( 0.420 0.000 -0.863) 0.960 4.122 ( 1.104 0.000 1.301) 1.706 4.160 ( 2.616 0.000 1.200) 2.878 4.168 ( -4.374 0.000 -1.154) 4.524 4.172 ( -1.124 0.000 -3.981) 4.136 4.189 ( 0.080 0.000 1.240) 1.242 4.260 ( 2.552 0.000 2.627) 3.662 4.281 ( -3.154 0.000 -4.127) 5.194 4.317 ( -0.739 0.000 -2.088) 2.215 4.386 ( -3.146 0.000 1.531) 3.498 4.405 ( -2.003 0.000 -0.204) 2.013 4.488 ( 3.067 0.000 -1.112) 3.262 4.493 ( 0.512 0.000 -0.767) 0.922 4.559 ( -0.686 0.000 0.978) 1.195 4.561 ( 1.419 0.000 1.912) 2.381 4.615 ( 0.696 0.000 -1.534) 1.684 4.634 ( -1.855 0.000 -2.411) 3.042 4.712 ( 3.401 0.000 -0.187) 3.406 4.732 ( 2.324 0.000 0.886) 2.487 4.836 ( -5.291 0.000 1.153) 5.415 4.838 ( -1.925 0.000 4.138) 4.564 4.947 ( -1.824 0.000 2.829) 3.365 4.965 ( 2.748 0.000 -3.048) 4.104 5.073 ( -1.948 0.000 -2.560) 3.217 5.114 ( -2.057 0.000 -1.118) 2.341 5.158 ( 1.039 0.000 4.252) 4.377 5.221 ( 4.817 0.000 5.967) 7.668 5.306 ( 2.006 0.000 -6.097) 6.419 5.323 ( 0.171 0.000 3.640) 3.644 5.354 ( -1.924 0.000 -3.600) 4.082 5.374 ( 3.387 0.000 0.620) 3.443 5.417 ( 1.167 0.000 -1.017) 1.548 5.432 ( -2.055 0.000 -1.825) 2.748 5.491 ( -0.818 0.000 0.793) 1.140 5.566 ( -2.014 0.000 -4.859) 5.260 5.679 ( 0.238 0.000 2.872) 2.882 5.716 ( 4.795 0.000 0.154) 4.798 5.817 ( 2.390 0.000 1.152) 2.653 5.841 ( -0.689 0.000 -1.310) 1.480 6.027 ( -6.325 0.000 5.704) 8.516 6.067 ( -1.006 0.000 2.563) 2.753 6.126 ( -1.698 0.000 -0.555) 1.786 6.179 ( 4.804 0.000 -4.653) 6.688 6.306 ( -1.664 0.000 1.651) 2.344 6.344 ( 0.972 0.000 -1.432) 1.731 6.567 ( -0.325 0.000 1.122) 1.168 6.604 ( 0.693 0.000 -2.010) 2.126 6.726 ( -1.592 0.000 2.201) 2.716 6.773 ( 1.328 0.000 -1.673) 2.136 7.810 ( -0.464 0.000 0.471) 0.661 7.823 ( 0.524 0.000 -0.597) 0.794 7.875 ( 0.533 0.000 0.471) 0.711 7.884 ( -1.315 0.000 -0.242) 1.337 7.948 ( 0.882 0.000 0.423) 0.979 7.954 ( -0.441 0.000 -0.036) 0.443 8.007 ( -0.247 0.000 0.181) 0.306 8.018 ( 0.317 0.000 -0.635) 0.710 8.805 ( -2.919 0.000 0.101) 2.921 8.805 ( 0.937 0.000 0.038) 0.938 8.913 ( -0.335 0.000 0.633) 0.716 8.927 ( 0.429 0.000 -0.452) 0.623 8.987 ( -0.199 0.000 1.588) 1.601 9.026 ( 0.015 0.000 -1.475) 1.475 9.134 ( -0.538 0.000 0.940) 1.083 9.160 ( 0.413 0.000 -1.099) 1.174 9.181 ( 0.325 0.000 1.345) 1.384 9.210 ( -0.339 0.000 -0.965) 1.023 9.300 ( 0.115 0.000 0.070) 0.135 9.301 ( -0.092 0.000 -0.066) 0.113 9.492 ( 0.340 0.000 0.080) 0.349 9.496 ( 0.497 0.000 -0.240) 0.552 9.750 ( -0.848 0.000 1.150) 1.429 9.780 ( 0.646 0.000 -1.143) 1.313 9.829 ( -0.020 0.000 0.500) 0.500 9.842 ( 0.033 0.000 -0.524) 0.525 9.919 ( -0.171 0.000 0.279) 0.327 9.925 ( 0.174 0.000 -0.253) 0.307 9.996 ( -0.187 0.000 1.284) 1.298 10.030 ( 0.262 0.000 -1.391) 1.416 10.142 ( 3.485 0.000 0.257) 3.495 10.146 ( -3.164 0.000 -0.263) 3.175 10.171 ( -2.624 0.000 0.649) 2.704 10.180 ( 2.238 0.000 -0.004) 2.238 10.387 ( 3.151 0.000 1.415) 3.454 10.404 ( -3.039 0.000 0.351) 3.059 10.433 ( -2.930 0.000 -0.507) 2.973 10.448 ( 2.744 0.000 -2.034) 3.415 10.572 ( -0.082 0.000 0.269) 0.281 10.582 ( -0.616 0.000 -0.606) 0.864 10.637 ( 0.933 0.000 1.150) 1.481 10.646 ( -0.765 0.000 0.689) 1.029 10.913 ( 0.204 0.000 3.038) 3.045 11.002 ( 2.390 0.000 -3.466) 4.210 11.177 ( -1.286 0.000 1.059) 1.666 11.209 ( 3.067 0.000 -1.582) 3.451 11.231 ( 1.634 0.000 -0.269) 1.656 11.237 ( -3.308 0.000 -0.476) 3.342======================= Grid point 46 (17/35) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.658 ( 17.848 0.000 12.150) 21.591 0.744 ( 18.158 0.000 13.724) 22.761 0.924 ( 10.656 0.000 -10.620) 15.044 1.119 ( 11.124 0.000 -13.358) 17.383 1.204 ( 13.642 0.000 20.180) 24.359 1.221 ( -8.548 0.000 2.082) 8.798 1.287 ( -9.998 0.000 3.517) 10.599 1.436 ( 0.527 0.000 3.617) 3.655 1.515 ( -8.427 0.000 -4.578) 9.591 1.626 ( -4.953 0.000 3.121) 5.854 1.632 ( -0.522 0.000 -13.194) 13.204 1.737 ( -5.726 0.000 -0.389) 5.739 1.767 ( -7.492 0.000 2.775) 7.990 1.810 ( 0.046 0.000 -1.449) 1.450 1.978 ( 0.985 0.000 1.271) 1.607 2.059 ( 5.454 0.000 2.002) 5.810 2.108 ( -8.510 0.000 -5.749) 10.271 2.114 ( 9.586 0.000 1.526) 9.707 2.224 ( 2.268 0.000 2.317) 3.242 2.275 ( 5.086 0.000 -0.826) 5.153 2.283 ( 2.511 0.000 2.367) 3.451 2.314 ( -0.212 0.000 1.541) 1.556 2.385 ( -2.235 0.000 -1.360) 2.616 2.450 ( 2.552 0.000 -0.891) 2.703 2.535 ( 0.718 0.000 1.133) 1.342 2.590 ( 3.841 0.000 -1.167) 4.015 2.605 ( 1.217 0.000 -1.631) 2.035 2.629 ( -4.713 0.000 2.540) 5.354 2.639 ( 1.696 0.000 -0.150) 1.703 2.668 ( -1.154 0.000 -3.761) 3.934 2.681 ( -0.482 0.000 -2.691) 2.734 2.729 ( 1.098 0.000 3.944) 4.094 2.781 ( -1.922 0.000 -6.526) 6.803 2.818 ( 3.243 0.000 -1.747) 3.684 2.913 ( 3.612 0.000 3.587) 5.091 2.918 ( -1.783 0.000 1.856) 2.574 2.929 ( 2.021 0.000 -0.525) 2.088 2.984 ( 1.539 0.000 0.705) 1.693 3.045 ( -4.489 0.000 0.022) 4.489 3.052 ( -4.192 0.000 1.439) 4.432 3.092 ( -3.926 0.000 -3.505) 5.263 3.099 ( 0.753 0.000 -5.137) 5.192 3.129 ( -4.420 0.000 0.716) 4.478 3.134 ( 2.262 0.000 -0.195) 2.270 3.140 ( 2.071 0.000 0.526) 2.137 3.222 ( -1.709 0.000 3.039) 3.486 3.240 ( -0.146 0.000 -2.267) 2.272 3.250 ( -1.251 0.000 -1.265) 1.779 3.283 ( -2.256 0.000 5.255) 5.718 3.304 ( -2.681 0.000 -0.633) 2.755 3.456 ( -2.759 0.000 -1.506) 3.143 3.464 ( 0.066 0.000 0.107) 0.126 3.478 ( -3.503 0.000 1.451) 3.792 3.501 ( 1.015 0.000 -1.358) 1.695 3.535 ( 5.842 0.000 4.087) 7.130 3.545 ( -1.531 0.000 -0.163) 1.540 3.552 ( -5.126 0.000 -2.855) 5.868 3.599 ( -2.293 0.000 -1.222) 2.598 3.636 ( -5.001 0.000 -0.303) 5.010 3.664 ( 1.617 0.000 -1.329) 2.093 3.675 ( -3.653 0.000 0.075) 3.654 3.710 ( 2.634 0.000 -1.566) 3.064 3.721 ( 2.335 0.000 5.995) 6.433 3.746 ( -2.774 0.000 2.961) 4.057 3.790 ( 1.693 0.000 -3.999) 4.342 3.852 ( 6.834 0.000 1.063) 6.916 3.897 ( 1.236 0.000 -0.273) 1.266 3.899 ( 0.817 0.000 0.012) 0.817 3.926 ( 2.530 0.000 1.522) 2.953 3.960 ( -2.906 0.000 -0.498) 2.948 4.027 ( -8.312 0.000 -1.876) 8.521 4.083 ( -2.569 0.000 -2.163) 3.358 4.101 ( -2.754 0.000 -0.673) 2.835 4.126 ( -1.756 0.000 -0.231) 1.771 4.158 ( -0.915 0.000 -0.624) 1.107 4.162 ( -2.475 0.000 0.889) 2.629 4.182 ( 2.882 0.000 1.241) 3.138 4.246 ( 3.599 0.000 0.450) 3.627 4.287 ( -2.061 0.000 -2.812) 3.486 4.326 ( 2.420 0.000 1.875) 3.061 4.339 ( -0.963 0.000 -1.422) 1.718 4.370 ( 0.278 0.000 0.450) 0.529 4.471 ( -4.654 0.000 -0.723) 4.710 4.472 ( -3.692 0.000 2.119) 4.257 4.569 ( -1.097 0.000 0.814) 1.365 4.574 ( 2.833 0.000 -0.930) 2.981 4.605 ( -2.006 0.000 -3.835) 4.328 4.669 ( 5.625 0.000 -2.120) 6.011 4.752 ( -1.335 0.000 -0.023) 1.335 4.765 ( -2.292 0.000 0.652) 2.382 4.836 ( 2.698 0.000 5.829) 6.424 4.869 ( 6.990 0.000 1.660) 7.184 4.904 ( 1.537 0.000 0.096) 1.540 4.982 ( -0.653 0.000 3.048) 3.117 5.092 ( 3.344 0.000 2.294) 4.056 5.095 ( 0.537 0.000 3.114) 3.160 5.170 ( 0.956 0.000 -1.200) 1.534 5.221 ( -6.273 0.000 -1.918) 6.560 5.262 ( -3.829 0.000 -3.243) 5.018 5.302 ( 2.102 0.000 5.809) 6.178 5.402 ( -1.608 0.000 -2.422) 2.908 5.403 ( -0.496 0.000 -2.264) 2.318 5.446 ( 1.314 0.000 -3.480) 3.720 5.450 ( 3.731 0.000 0.949) 3.850 5.530 ( 5.433 0.000 1.191) 5.562 5.550 ( 1.501 0.000 -0.701) 1.657 5.649 ( -4.247 0.000 3.525) 5.519 5.732 ( -4.306 0.000 1.155) 4.458 5.825 ( -1.011 0.000 2.047) 2.283 5.836 ( -0.478 0.000 0.604) 0.770 5.836 ( -5.275 0.000 6.776) 8.587 5.909 ( -6.711 0.000 -1.008) 6.787 6.058 ( 1.227 0.000 -2.179) 2.501 6.242 ( -5.121 0.000 2.135) 5.548 6.255 ( 2.895 0.000 -1.902) 3.464 6.343 ( -1.129 0.000 -0.632) 1.294 6.568 ( 0.479 0.000 0.793) 0.926 6.620 ( -0.029 0.000 -1.735) 1.735 6.709 ( 0.259 0.000 1.269) 1.295 6.779 ( -0.917 0.000 -0.600) 1.096 7.808 ( 0.297 0.000 0.179) 0.347 7.830 ( -0.081 0.000 -0.098) 0.127 7.871 ( -0.162 0.000 -0.804) 0.820 7.871 ( -0.778 0.000 0.812) 1.125 7.966 ( 1.232 0.000 0.312) 1.271 7.998 ( 1.227 0.000 -0.930) 1.540 8.010 ( 0.416 0.000 -0.095) 0.427 8.025 ( 0.075 0.000 -0.235) 0.247 8.820 ( 1.723 0.000 -0.296) 1.748 8.836 ( 1.179 0.000 0.848) 1.453 8.928 ( 1.796 0.000 0.531) 1.873 8.951 ( 1.790 0.000 -0.219) 1.803 9.031 ( 1.069 0.000 0.424) 1.150 9.048 ( 1.176 0.000 -0.941) 1.506 9.129 ( -0.172 0.000 0.599) 0.623 9.160 ( -0.567 0.000 -0.695) 0.897 9.207 ( -1.228 0.000 0.492) 1.323 9.218 ( -0.194 0.000 -0.603) 0.633 9.312 ( 1.760 0.000 -0.044) 1.761 9.320 ( 1.922 0.000 -0.373) 1.958 9.568 ( 6.420 0.000 2.827) 7.015 9.686 ( 10.847 0.000 -10.572) 15.147 9.738 ( -0.340 0.000 1.659) 1.694 9.803 ( 1.334 0.000 -1.074) 1.713 9.852 ( 2.297 0.000 -1.621) 2.812 9.855 ( 1.083 0.000 -0.539) 1.210 9.919 ( 0.361 0.000 -0.095) 0.373 9.927 ( 0.006 0.000 -0.124) 0.124 9.979 ( -1.392 0.000 1.124) 1.789 10.023 ( -0.819 0.000 -1.399) 1.621 10.114 ( 0.276 0.000 -1.032) 1.068 10.131 ( -0.825 0.000 0.987) 1.286 10.213 ( 1.300 0.000 0.531) 1.405 10.217 ( 1.100 0.000 -0.498) 1.207 10.316 ( -1.734 0.000 -0.619) 1.841 10.363 ( -0.755 0.000 0.314) 0.817 10.486 ( 2.638 0.000 0.254) 2.650 10.517 ( 0.139 0.000 -0.126) 0.188 10.561 ( -0.923 0.000 -0.905) 1.293 10.562 ( -0.146 0.000 0.454) 0.477 10.661 ( 3.357 0.000 -0.594) 3.409 10.672 ( 3.239 0.000 1.734) 3.674 10.899 ( -1.675 0.000 1.687) 2.377 10.967 ( -5.733 0.000 -2.554) 6.276 11.122 ( -2.368 0.000 -1.016) 2.577 11.148 ( -4.564 0.000 -0.691) 4.616 11.267 ( 2.071 0.000 -1.123) 2.356 11.271 ( 1.318 0.000 0.813) 1.549======================= Grid point 47 (18/35) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( -15.239 0.000 9.791) 18.114 0.961 ( -12.959 0.000 6.223) 14.375 1.012 ( 12.344 0.000 7.424) 14.405 1.079 ( 15.413 0.000 9.976) 18.360 1.179 ( 11.810 0.000 -8.045) 14.289 1.265 ( -12.210 0.000 -7.968) 14.580 1.284 ( 5.976 0.000 -13.319) 14.598 1.322 ( -9.241 0.000 -9.486) 13.243 1.532 ( 3.607 0.000 5.304) 6.415 1.649 ( -1.769 0.000 -3.745) 4.141 1.674 ( -9.020 0.000 6.072) 10.873 1.708 ( -2.453 0.000 7.600) 7.986 1.724 ( 6.417 0.000 2.963) 7.068 1.853 ( 3.573 0.000 -2.918) 4.613 1.861 ( 7.720 0.000 5.457) 9.454 1.943 ( -3.463 0.000 -0.976) 3.598 2.132 ( 2.333 0.000 3.480) 4.190 2.235 ( -2.724 0.000 -3.310) 4.287 2.279 ( 2.674 0.000 3.164) 4.142 2.305 ( -0.935 0.000 0.418) 1.024 2.381 ( 1.886 0.000 -0.705) 2.014 2.396 ( -7.213 0.000 -3.455) 7.998 2.401 ( 1.681 0.000 -2.064) 2.662 2.408 ( 8.620 0.000 -4.506) 9.727 2.501 ( -4.759 0.000 3.123) 5.692 2.531 ( -3.189 0.000 3.473) 4.715 2.593 ( -0.947 0.000 -3.000) 3.146 2.617 ( 2.108 0.000 -1.491) 2.582 2.640 ( -0.049 0.000 2.006) 2.006 2.659 ( -0.555 0.000 -0.490) 0.740 2.690 ( 0.794 0.000 -0.981) 1.262 2.692 ( -5.417 0.000 0.465) 5.436 2.778 ( 2.874 0.000 0.418) 2.905 2.788 ( -1.583 0.000 -0.759) 1.756 2.894 ( 2.348 0.000 2.981) 3.795 2.936 ( -0.089 0.000 -0.913) 0.917 2.948 ( -5.407 0.000 1.040) 5.506 2.999 ( -0.657 0.000 2.328) 2.419 3.023 ( 2.231 0.000 -0.846) 2.386 3.038 ( 0.174 0.000 -0.180) 0.251 3.076 ( 2.312 0.000 0.810) 2.450 3.084 ( 2.093 0.000 -2.726) 3.436 3.130 ( 1.081 0.000 -0.284) 1.118 3.160 ( -3.789 0.000 0.305) 3.801 3.193 ( 1.724 0.000 -0.764) 1.886 3.204 ( -3.630 0.000 0.996) 3.764 3.228 ( -1.796 0.000 -0.831) 1.979 3.269 ( 7.291 0.000 -5.017) 8.850 3.281 ( 3.358 0.000 -1.316) 3.607 3.307 ( 5.312 0.000 -0.861) 5.381 3.371 ( -3.362 0.000 -2.079) 3.953 3.378 ( -4.043 0.000 -5.133) 6.534 3.424 ( -5.416 0.000 2.367) 5.911 3.484 ( 3.536 0.000 1.206) 3.736 3.502 ( -0.555 0.000 -1.137) 1.265 3.538 ( -0.085 0.000 3.236) 3.237 3.547 ( 0.960 0.000 0.133) 0.969 3.605 ( -2.912 0.000 0.837) 3.030 3.625 ( 0.265 0.000 0.545) 0.606 3.661 ( -2.813 0.000 1.294) 3.097 3.677 ( -2.474 0.000 -4.815) 5.413 3.704 ( 5.360 0.000 1.560) 5.582 3.733 ( 2.615 0.000 2.886) 3.894 3.775 ( -1.579 0.000 1.150) 1.953 3.814 ( -4.683 0.000 1.319) 4.865 3.844 ( 1.556 0.000 -0.144) 1.562 3.903 ( -1.367 0.000 0.276) 1.395 3.927 ( 1.869 0.000 -0.833) 2.046 3.953 ( 0.490 0.000 0.796) 0.935 3.968 ( 1.351 0.000 1.305) 1.878 3.976 ( 3.935 0.000 1.322) 4.151 4.012 ( -3.543 0.000 -1.852) 3.997 4.064 ( 0.294 0.000 -1.914) 1.936 4.098 ( -1.197 0.000 -3.096) 3.319 4.130 ( 1.255 0.000 1.886) 2.265 4.168 ( 1.088 0.000 -0.310) 1.131 4.243 ( -1.776 0.000 -2.530) 3.091 4.247 ( 2.039 0.000 -3.119) 3.727 4.284 ( 1.120 0.000 0.450) 1.207 4.299 ( -1.985 0.000 -0.986) 2.216 4.377 ( 0.522 0.000 1.224) 1.330 4.403 ( 0.047 0.000 -2.409) 2.409 4.420 ( 0.512 0.000 -0.506) 0.720 4.436 ( 2.554 0.000 -0.012) 2.554 4.537 ( -1.940 0.000 1.441) 2.417 4.565 ( -1.144 0.000 -1.534) 1.913 4.645 ( 4.209 0.000 0.314) 4.221 4.693 ( -3.262 0.000 4.053) 5.203 4.697 ( -4.786 0.000 -3.305) 5.816 4.768 ( 2.508 0.000 -1.694) 3.026 4.873 ( 3.057 0.000 2.522) 3.963 4.896 ( 1.281 0.000 1.410) 1.905 4.965 ( 0.313 0.000 7.167) 7.174 5.091 ( 1.824 0.000 1.500) 2.361 5.106 ( 1.025 0.000 1.794) 2.066 5.119 ( 0.407 0.000 2.272) 2.308 5.164 ( -2.924 0.000 1.630) 3.348 5.168 ( 1.810 0.000 -0.495) 1.876 5.220 ( 0.490 0.000 -0.567) 0.750 5.246 ( -4.596 0.000 -3.320) 5.670 5.343 ( -2.239 0.000 1.653) 2.783 5.444 ( -0.648 0.000 -3.740) 3.796 5.478 ( 5.133 0.000 3.389) 6.151 5.487 ( -0.418 0.000 3.748) 3.771 5.544 ( -3.403 0.000 -0.561) 3.449 5.570 ( -2.659 0.000 -0.130) 2.662 5.618 ( 2.642 0.000 3.207) 4.155 5.620 ( -5.856 0.000 -0.493) 5.877 5.797 ( -1.949 0.000 0.773) 2.097 5.828 ( 0.678 0.000 -1.000) 1.208 5.839 ( 2.934 0.000 -0.373) 2.958 5.871 ( 5.217 0.000 -2.807) 5.924 6.117 ( -6.674 0.000 1.422) 6.824 6.182 ( 7.871 0.000 -3.622) 8.664 6.297 ( -3.793 0.000 0.747) 3.866 6.300 ( 1.716 0.000 0.348) 1.751 6.582 ( 0.669 0.000 0.793) 1.038 6.604 ( -0.931 0.000 -0.980) 1.351 6.734 ( 1.584 0.000 0.835) 1.791 6.748 ( -1.629 0.000 -0.297) 1.656 7.820 ( 0.841 0.000 -0.058) 0.843 7.822 ( -0.536 0.000 -0.126) 0.550 7.854 ( -0.830 0.000 1.022) 1.317 7.877 ( 0.576 0.000 -0.830) 1.010 7.988 ( 0.713 0.000 0.354) 0.796 7.999 ( -0.507 0.000 -0.549) 0.748 8.017 ( -0.600 0.000 0.069) 0.604 8.018 ( 0.338 0.000 -0.015) 0.339 8.839 ( -0.705 0.000 0.406) 0.814 8.846 ( 0.949 0.000 -0.073) 0.951 8.958 ( 0.364 0.000 0.802) 0.880 8.970 ( -0.571 0.000 -0.089) 0.578 9.035 ( -0.115 0.000 0.785) 0.794 9.060 ( 0.108 0.000 -1.000) 1.006 9.129 ( 0.618 0.000 0.536) 0.818 9.142 ( -0.485 0.000 -0.494) 0.692 9.186 ( -0.049 0.000 1.065) 1.066 9.214 ( 0.264 0.000 -1.174) 1.203 9.335 ( 0.121 0.000 0.044) 0.129 9.338 ( -0.109 0.000 -0.170) 0.202 9.639 ( -1.739 0.000 4.362) 4.696 9.749 ( 1.599 0.000 3.401) 3.758 9.773 ( 0.152 0.000 -5.824) 5.826 9.815 ( -0.366 0.000 -0.651) 0.747 9.869 ( 0.038 0.000 -0.560) 0.561 9.889 ( 1.025 0.000 -2.805) 2.986 9.922 ( -0.476 0.000 0.130) 0.494 9.936 ( 0.920 0.000 -1.421) 1.693 9.967 ( 0.657 0.000 1.009) 1.204 10.003 ( -1.082 0.000 -2.146) 2.403 10.127 ( -1.045 0.000 0.156) 1.056 10.128 ( 0.469 0.000 -0.093) 0.478 10.179 ( -0.390 0.000 1.654) 1.699 10.238 ( 1.257 0.000 -3.406) 3.631 10.349 ( -2.472 0.000 -0.008) 2.472 10.356 ( 1.765 0.000 -0.455) 1.822 10.493 ( -0.177 0.000 0.018) 0.177 10.502 ( 1.150 0.000 -0.829) 1.418 10.551 ( -0.779 0.000 0.669) 1.027 10.569 ( 1.214 0.000 -1.151) 1.673 10.733 ( -0.920 0.000 0.692) 1.151 10.735 ( 1.230 0.000 0.051) 1.231 10.850 ( -2.148 0.000 1.149) 2.436 10.866 ( -0.427 0.000 -0.053) 0.430 11.090 ( -0.594 0.000 -0.324) 0.677 11.105 ( 0.518 0.000 -1.777) 1.851 11.277 ( -0.654 0.000 0.627) 0.906 11.294 ( 0.665 0.000 -0.775) 1.021======================= Grid point 49 (19/35) =======================q-point: (-0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -16.871 0.000 11.661) 20.508 0.676 ( -9.564 0.000 18.569) 20.887 0.980 ( -13.788 0.000 -9.516) 16.753 1.086 ( -10.624 0.000 -12.572) 16.459 1.149 ( -25.667 0.000 20.418) 32.797 1.255 ( 6.786 0.000 2.643) 7.282 1.293 ( 5.523 0.000 -2.635) 6.120 1.444 ( 8.243 0.000 -6.340) 10.399 1.449 ( 13.749 0.000 5.221) 14.707 1.672 ( 3.579 0.000 -4.197) 5.516 1.719 ( 2.893 0.000 4.359) 5.231 1.730 ( 11.170 0.000 1.018) 11.216 1.803 ( 0.166 0.000 -3.896) 3.900 1.847 ( 0.065 0.000 -7.179) 7.179 1.965 ( 2.843 0.000 2.941) 4.090 2.005 ( -4.493 0.000 -1.001) 4.604 2.101 ( -8.315 0.000 -1.201) 8.401 2.167 ( -2.550 0.000 -2.539) 3.599 2.265 ( -3.147 0.000 -0.942) 3.286 2.291 ( 3.845 0.000 2.228) 4.444 2.310 ( -6.357 0.000 -1.903) 6.636 2.346 ( -2.261 0.000 -1.477) 2.701 2.373 ( 4.263 0.000 4.184) 5.974 2.414 ( -3.643 0.000 1.026) 3.785 2.468 ( 0.575 0.000 -1.355) 1.472 2.515 ( -2.694 0.000 4.573) 5.308 2.590 ( -1.045 0.000 0.524) 1.169 2.599 ( -2.134 0.000 0.987) 2.351 2.638 ( 4.069 0.000 -1.097) 4.214 2.651 ( -1.526 0.000 0.998) 1.823 2.705 ( 0.262 0.000 -1.594) 1.616 2.742 ( -3.766 0.000 -0.343) 3.782 2.785 ( 3.954 0.000 -3.653) 5.383 2.820 ( 1.429 0.000 -3.208) 3.512 2.892 ( -2.041 0.000 2.609) 3.312 2.927 ( 1.920 0.000 -0.050) 1.921 2.951 ( 1.110 0.000 0.773) 1.353 2.977 ( -2.285 0.000 0.755) 2.406 3.026 ( 3.744 0.000 0.187) 3.749 3.031 ( 0.502 0.000 2.469) 2.520 3.058 ( -2.111 0.000 -0.314) 2.134 3.112 ( 0.006 0.000 -0.934) 0.934 3.130 ( -0.383 0.000 -0.342) 0.514 3.155 ( 2.906 0.000 -2.234) 3.665 3.193 ( -2.516 0.000 -2.768) 3.741 3.238 ( 1.375 0.000 -3.259) 3.537 3.247 ( 5.792 0.000 2.602) 6.349 3.277 ( 0.970 0.000 -3.170) 3.315 3.338 ( 0.948 0.000 -4.470) 4.569 3.356 ( -0.936 0.000 0.321) 0.989 3.422 ( 3.972 0.000 2.159) 4.521 3.436 ( 5.025 0.000 -3.181) 5.948 3.445 ( 4.372 0.000 0.904) 4.464 3.488 ( 2.522 0.000 1.441) 2.905 3.502 ( -1.268 0.000 7.451) 7.558 3.528 ( 0.375 0.000 1.685) 1.726 3.562 ( -0.921 0.000 2.548) 2.709 3.591 ( -2.865 0.000 -2.663) 3.911 3.624 ( 6.229 0.000 0.526) 6.251 3.624 ( -2.844 0.000 5.937) 6.583 3.666 ( -2.445 0.000 -3.760) 4.485 3.703 ( 3.630 0.000 -1.076) 3.786 3.711 ( -1.888 0.000 -1.726) 2.558 3.819 ( 2.381 0.000 -1.611) 2.875 3.822 ( 1.492 0.000 -1.548) 2.150 3.845 ( 0.457 0.000 4.388) 4.412 3.897 ( -2.523 0.000 -0.965) 2.701 3.921 ( -6.450 0.000 -2.295) 6.846 3.942 ( 1.660 0.000 0.391) 1.705 3.960 ( 0.036 0.000 2.310) 2.311 3.983 ( 0.647 0.000 -1.928) 2.034 4.054 ( 5.003 0.000 2.061) 5.411 4.092 ( 2.196 0.000 -0.747) 2.320 4.105 ( 0.178 0.000 -1.495) 1.505 4.182 ( 2.222 0.000 -2.757) 3.541 4.206 ( 2.524 0.000 2.563) 3.598 4.215 ( -1.415 0.000 -1.493) 2.057 4.246 ( -3.088 0.000 -1.191) 3.309 4.287 ( 1.399 0.000 -3.605) 3.867 4.304 ( 1.018 0.000 0.936) 1.383 4.376 ( 1.656 0.000 2.519) 3.015 4.401 ( 0.671 0.000 -2.785) 2.865 4.477 ( 2.880 0.000 -3.385) 4.445 4.486 ( -0.090 0.000 1.879) 1.881 4.514 ( 1.865 0.000 2.332) 2.986 4.572 ( 0.363 0.000 0.853) 0.927 4.609 ( -3.018 0.000 -3.732) 4.799 4.631 ( -0.161 0.000 0.212) 0.266 4.730 ( -0.009 0.000 1.286) 1.286 4.762 ( -2.401 0.000 -0.269) 2.416 4.867 ( -1.225 0.000 2.885) 3.134 4.922 ( -1.293 0.000 -0.095) 1.297 4.962 ( -5.077 0.000 -2.122) 5.503 5.012 ( -4.949 0.000 2.639) 5.609 5.070 ( 3.984 0.000 5.173) 6.530 5.114 ( -1.691 0.000 -2.581) 3.085 5.159 ( -1.099 0.000 1.934) 2.225 5.188 ( -0.871 0.000 0.627) 1.073 5.197 ( 3.791 0.000 0.361) 3.808 5.302 ( 4.129 0.000 0.246) 4.136 5.380 ( 4.140 0.000 2.656) 4.919 5.393 ( -3.793 0.000 -1.739) 4.172 5.438 ( -4.731 0.000 -0.779) 4.795 5.485 ( -2.848 0.000 -1.430) 3.186 5.516 ( 3.533 0.000 3.358) 4.874 5.522 ( -3.205 0.000 1.243) 3.438 5.613 ( 5.644 0.000 2.446) 6.151 5.673 ( 1.635 0.000 4.515) 4.802 5.761 ( -0.530 0.000 3.814) 3.850 5.844 ( 0.560 0.000 -0.725) 0.916 5.932 ( 2.046 0.000 1.600) 2.597 5.985 ( 9.363 0.000 -2.349) 9.653 6.083 ( 4.149 0.000 -4.953) 6.461 6.196 ( -6.401 0.000 3.080) 7.103 6.299 ( 4.063 0.000 -2.566) 4.805 6.319 ( 0.257 0.000 1.247) 1.273 6.580 ( -0.826 0.000 1.374) 1.603 6.596 ( 0.111 0.000 -1.504) 1.508 6.744 ( 1.231 0.000 -1.553) 1.981 6.750 ( -0.214 0.000 1.759) 1.772 7.817 ( 0.095 0.000 -0.522) 0.530 7.823 ( -0.680 0.000 0.530) 0.862 7.856 ( 1.086 0.000 0.382) 1.151 7.888 ( 0.477 0.000 -0.459) 0.662 7.978 ( -1.448 0.000 0.699) 1.608 7.984 ( -1.328 0.000 -1.229) 1.809 8.015 ( 0.144 0.000 -0.480) 0.501 8.018 ( -0.482 0.000 0.208) 0.525 8.817 ( -1.415 0.000 -0.014) 1.415 8.850 ( -0.658 0.000 0.013) 0.658 8.937 ( -1.814 0.000 0.839) 1.999 8.939 ( -1.669 0.000 -0.364) 1.708 9.031 ( -0.659 0.000 0.247) 0.704 9.049 ( -1.295 0.000 -0.874) 1.562 9.139 ( -0.011 0.000 0.945) 0.945 9.150 ( 0.670 0.000 -0.999) 1.203 9.211 ( 1.663 0.000 -0.047) 1.663 9.224 ( 0.212 0.000 -0.718) 0.749 9.314 ( -1.785 0.000 0.141) 1.790 9.317 ( -2.073 0.000 -0.559) 2.147 9.546 ( -5.374 0.000 2.380) 5.878 9.706 ( -10.902 0.000 -9.687) 14.584 9.763 ( -0.234 0.000 1.994) 2.008 9.787 ( -1.566 0.000 -1.883) 2.449 9.855 ( -1.156 0.000 -0.609) 1.307 9.862 ( -3.738 0.000 -3.044) 4.821 9.921 ( 0.256 0.000 -0.212) 0.333 9.924 ( -0.579 0.000 0.025) 0.579 9.987 ( 0.967 0.000 1.415) 1.713 10.012 ( 1.494 0.000 -1.511) 2.125 10.104 ( 0.086 0.000 0.134) 0.160 10.140 ( 1.180 0.000 0.226) 1.202 10.206 ( 0.396 0.000 0.404) 0.566 10.223 ( -3.696 0.000 -0.418) 3.720 10.318 ( 1.862 0.000 -0.891) 2.064 10.356 ( 1.006 0.000 0.749) 1.254 10.504 ( -1.721 0.000 -1.062) 2.023 10.525 ( -2.150 0.000 -1.009) 2.374 10.552 ( 1.580 0.000 0.033) 1.581 10.579 ( -0.227 0.000 -1.050) 1.075 10.639 ( -2.585 0.000 1.242) 2.868 10.687 ( -3.651 0.000 0.593) 3.698 10.893 ( 1.769 0.000 2.246) 2.859 10.916 ( 5.211 0.000 1.225) 5.353 11.131 ( 4.105 0.000 -1.182) 4.272 11.139 ( 2.789 0.000 -0.154) 2.793 11.251 ( -1.859 0.000 0.150) 1.865 11.288 ( -1.433 0.000 -0.555) 1.537======================= Grid point 50 (20/35) =======================q-point: ( 0.00 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( 0.182 16.007 13.632) 21.026 0.715 ( -2.569 14.334 16.849) 22.270 0.964 ( -0.340 12.515 -10.231) 16.168 1.063 ( 1.965 11.439 -7.876) 14.027 1.137 ( 3.457 18.098 18.364) 26.014 1.361 ( 0.015 4.817 1.410) 5.019 1.401 ( 2.327 5.987 -1.461) 6.587 1.587 ( -0.399 1.339 -7.074) 7.211 1.670 ( 1.179 2.051 2.872) 3.722 1.675 ( -4.157 4.102 0.600) 5.871 1.721 ( 0.616 0.962 -3.078) 3.283 1.781 ( -6.343 1.523 -8.311) 10.565 1.875 ( 0.816 3.127 0.894) 3.353 1.918 ( 3.682 1.251 -2.291) 4.513 1.948 ( -7.428 0.950 5.456) 9.266 1.964 ( 3.248 2.836 1.144) 4.461 2.008 ( 1.223 1.158 2.507) 3.020 2.154 ( 1.247 -2.669 -4.619) 5.478 2.202 ( 1.255 0.375 1.135) 1.733 2.251 ( -1.176 1.120 -2.472) 2.957 2.310 ( -1.636 1.369 1.274) 2.485 2.348 ( -2.373 -0.021 -1.408) 2.759 2.412 ( 1.800 -0.816 4.060) 4.515 2.440 ( 1.296 -1.656 -1.842) 2.795 2.464 ( 1.375 0.750 -1.415) 2.110 2.530 ( 0.629 0.347 -2.613) 2.710 2.574 ( -2.321 -1.114 -0.045) 2.575 2.612 ( 1.273 -0.514 -2.255) 2.640 2.639 ( -0.643 5.175 2.109) 5.625 2.681 ( -1.749 -1.032 3.139) 3.739 2.691 ( 2.384 3.810 -0.112) 4.496 2.762 ( 1.843 1.245 -1.230) 2.542 2.790 ( 0.837 1.390 1.431) 2.163 2.839 ( 0.255 -0.897 -2.372) 2.549 2.861 ( 0.026 0.747 -3.494) 3.573 2.888 ( -0.055 0.680 -3.537) 3.603 2.970 ( -1.797 -1.046 0.118) 2.083 2.999 ( 1.180 -1.722 2.905) 3.577 3.038 ( 0.876 0.869 -3.598) 3.803 3.056 ( 1.394 -1.474 -2.575) 3.278 3.072 ( 0.459 -2.835 1.925) 3.457 3.078 ( -1.500 -2.304 -1.806) 3.289 3.116 ( -1.848 -0.905 -2.325) 3.105 3.141 ( 0.238 0.650 -1.318) 1.488 3.209 ( -0.549 0.233 1.661) 1.765 3.256 ( 0.418 -1.773 0.603) 1.919 3.281 ( 1.427 -0.803 -0.958) 1.897 3.322 ( -2.091 -0.378 -0.451) 2.172 3.336 ( -0.003 0.236 2.053) 2.066 3.350 ( -3.564 1.087 3.117) 4.858 3.394 ( 1.310 -4.897 0.783) 5.130 3.403 ( 1.727 -2.785 1.634) 3.662 3.460 ( 4.820 -2.297 -0.486) 5.361 3.478 ( -1.877 -3.031 0.007) 3.566 3.503 ( -3.027 -0.332 0.255) 3.055 3.515 ( -4.043 -0.402 1.076) 4.203 3.546 ( 2.721 -3.582 -2.984) 5.398 3.569 ( 3.952 -3.403 0.966) 5.304 3.613 ( -0.622 0.089 2.616) 2.690 3.637 ( 2.383 -1.677 3.920) 4.885 3.685 ( -0.068 -0.668 2.050) 2.157 3.724 ( -0.877 -1.547 -2.202) 2.831 3.741 ( -3.386 -0.072 -3.136) 4.616 3.778 ( -0.719 1.372 -2.721) 3.131 3.798 ( -0.377 0.191 0.158) 0.451 3.830 ( -2.895 -0.460 -1.825) 3.453 3.864 ( 2.212 0.301 -0.360) 2.261 3.883 ( 1.218 0.743 -0.860) 1.666 3.922 ( -1.214 -0.620 3.289) 3.560 3.964 ( 1.395 -2.162 0.263) 2.587 4.019 ( 1.529 -1.216 2.520) 3.189 4.091 ( 2.234 -0.851 1.268) 2.706 4.125 ( 0.705 -0.619 0.904) 1.303 4.130 ( -1.333 -3.242 -0.386) 3.527 4.168 ( -0.724 -0.341 -0.846) 1.165 4.175 ( 0.752 0.835 -3.554) 3.728 4.208 ( -0.121 1.517 0.340) 1.559 4.266 ( 1.154 -0.438 0.767) 1.453 4.280 ( 0.460 0.538 1.763) 1.899 4.308 ( -1.761 -1.276 -2.672) 3.445 4.353 ( -0.871 -2.040 0.035) 2.219 4.371 ( -5.130 -0.742 -1.220) 5.325 4.445 ( 1.103 -3.180 0.811) 3.462 4.484 ( 2.736 -1.171 -1.627) 3.392 4.550 ( -1.807 -0.204 1.761) 2.532 4.579 ( 1.712 -0.316 0.949) 1.983 4.611 ( 0.534 0.761 -1.922) 2.135 4.637 ( -1.893 0.526 -1.951) 2.769 4.731 ( -0.201 -0.216 1.899) 1.922 4.753 ( 2.478 2.260 -0.606) 3.408 4.826 ( -1.524 -1.023 4.314) 4.689 4.855 ( -4.404 2.265 -0.395) 4.968 4.939 ( 2.325 -1.511 -2.263) 3.579 4.983 ( -1.760 1.765 -0.986) 2.681 5.070 ( -0.415 -0.239 -0.666) 0.820 5.119 ( -1.697 0.346 -0.764) 1.893 5.145 ( -0.808 -1.112 2.623) 2.962 5.206 ( 3.293 -1.496 4.287) 5.609 5.278 ( 2.280 -1.625 -1.946) 3.410 5.307 ( 0.881 -1.098 2.233) 2.640 5.367 ( 1.534 0.700 -0.023) 1.686 5.378 ( 1.753 1.381 -2.609) 3.433 5.431 ( 0.588 -0.268 1.406) 1.548 5.457 ( -2.683 0.136 -1.353) 3.008 5.493 ( 0.521 0.493 0.329) 0.790 5.521 ( 0.187 -2.689 0.463) 2.735 5.627 ( 0.361 -4.712 4.983) 6.868 5.696 ( 3.185 -2.514 -1.059) 4.194 5.756 ( 1.544 -6.068 8.506) 10.562 5.830 ( -0.294 -1.409 -1.021) 1.764 5.850 ( -2.699 -3.742 2.875) 5.437 5.966 ( -1.853 -8.202 -1.355) 8.517 6.078 ( -5.142 -0.580 3.054) 6.008 6.188 ( 4.356 0.640 -4.436) 6.250 6.300 ( -1.894 -0.478 1.661) 2.565 6.339 ( 1.142 -0.541 -1.419) 1.900 6.573 ( -0.442 0.761 1.023) 1.349 6.609 ( 1.011 0.534 -1.904) 2.221 6.724 ( -1.607 -0.137 1.985) 2.558 6.768 ( 1.284 -0.565 -1.548) 2.089 7.808 ( -0.324 -0.421 0.311) 0.615 7.819 ( 0.412 -0.464 -0.534) 0.819 7.876 ( 0.408 0.001 0.305) 0.510 7.880 ( -0.668 -0.410 0.043) 0.785 7.938 ( 0.480 -1.067 0.480) 1.264 7.948 ( -0.514 -0.804 -0.280) 0.995 7.995 ( -0.207 -1.319 -0.001) 1.335 7.999 ( 0.324 -1.936 -0.307) 1.987 8.828 ( -0.465 2.094 0.266) 2.161 8.834 ( 0.278 2.357 -0.208) 2.383 8.917 ( -0.266 -0.102 0.575) 0.642 8.930 ( 0.293 0.042 -0.451) 0.539 9.004 ( -0.318 2.213 1.673) 2.792 9.041 ( 0.404 1.995 -1.189) 2.357 9.168 ( -0.418 2.053 2.146) 2.999 9.207 ( -0.169 2.425 0.470) 2.476 9.225 ( 0.902 2.149 -1.218) 2.630 9.238 ( -0.368 1.579 -1.284) 2.068 9.374 ( 0.074 6.562 1.999) 6.861 9.466 ( -0.955 8.043 -5.990) 10.074 9.493 ( 1.221 0.389 0.171) 1.293 9.502 ( -0.880 0.726 -0.453) 1.228 9.741 ( -0.784 -0.598 0.458) 1.088 9.760 ( 0.512 -1.253 -0.992) 1.678 9.826 ( 0.161 -0.296 0.483) 0.589 9.838 ( -0.012 -0.396 -0.505) 0.642 9.894 ( 0.368 -1.285 0.346) 1.381 9.916 ( -0.414 0.014 -1.617) 1.669 10.019 ( 0.213 0.629 0.006) 0.664 10.048 ( -0.017 1.393 -2.078) 2.502 10.151 ( -2.856 0.400 0.358) 2.906 10.160 ( 2.139 1.078 -0.108) 2.397 10.186 ( 2.906 0.674 0.820) 3.094 10.210 ( -2.173 2.059 -1.181) 3.218 10.384 ( 1.324 -0.782 1.759) 2.337 10.433 ( -2.811 -0.404 -2.191) 3.587 10.481 ( 2.172 5.925 -0.441) 6.326 10.490 ( -0.905 5.759 -0.731) 5.875 10.622 ( -1.035 4.264 0.056) 4.389 10.634 ( 0.556 4.897 -1.291) 5.095 10.681 ( 1.841 4.740 1.215) 5.228 10.699 ( -1.722 5.386 -0.287) 5.662 10.926 ( 0.552 0.853 1.848) 2.109 10.967 ( 0.670 -2.824 -0.345) 2.923 11.161 ( -0.124 -1.386 1.198) 1.836 11.179 ( 1.136 -1.919 -0.511) 2.288 11.220 ( -0.163 -1.348 -1.112) 1.755 11.235 ( -0.550 -0.958 -2.413) 2.654======================= Grid point 51 (21/35) =======================q-point: ( 0.25 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( 12.342 12.426 10.861) 20.608 0.833 ( 14.369 9.365 12.047) 20.959 1.033 ( 5.680 7.444 -10.307) 13.925 1.195 ( 8.424 9.206 -10.158) 16.090 1.274 ( -6.672 7.082 1.717) 9.880 1.351 ( -7.865 10.113 3.076) 13.175 1.392 ( 11.093 12.296 12.868) 20.972 1.448 ( -3.897 0.733 0.074) 3.966 1.560 ( -7.944 4.815 -2.441) 9.605 1.624 ( 2.160 2.195 1.248) 3.323 1.639 ( -5.730 1.830 -5.524) 8.167 1.726 ( -2.039 0.459 -0.715) 2.209 1.801 ( -4.354 2.462 1.451) 5.208 1.879 ( -1.460 3.730 -0.465) 4.032 2.021 ( 1.482 3.743 1.297) 4.229 2.092 ( -1.084 1.038 -1.750) 2.305 2.115 ( 9.005 4.370 0.512) 10.023 2.138 ( 4.136 1.445 -1.121) 4.522 2.250 ( 3.910 0.518 -1.081) 4.089 2.276 ( -0.211 1.453 1.610) 2.179 2.301 ( 2.735 -1.704 2.084) 3.838 2.314 ( 2.219 2.464 -1.701) 3.727 2.420 ( -0.367 1.237 -0.531) 1.395 2.478 ( -0.428 1.340 0.271) 1.432 2.489 ( 2.244 0.567 -0.348) 2.341 2.568 ( 1.033 -3.175 3.544) 4.869 2.589 ( -1.056 -2.312 -0.241) 2.553 2.606 ( 2.379 -1.683 -0.052) 2.915 2.626 ( 0.143 1.119 -2.630) 2.861 2.665 ( 1.032 -0.647 -0.041) 1.219 2.720 ( -3.335 1.040 -3.238) 4.763 2.734 ( 0.226 -0.708 2.338) 2.454 2.783 ( 1.318 1.631 -2.616) 3.353 2.832 ( -2.223 0.105 -2.568) 3.398 2.904 ( -1.470 -2.182 0.879) 2.774 2.921 ( -2.509 1.116 1.734) 3.248 2.952 ( -3.593 -0.969 -0.354) 3.739 2.962 ( 3.357 0.383 -1.764) 3.811 3.008 ( 0.534 -3.675 0.658) 3.771 3.038 ( -0.218 0.019 -2.811) 2.820 3.059 ( -4.705 0.163 0.351) 4.721 3.084 ( 1.921 0.476 -2.735) 3.376 3.111 ( -1.756 -1.102 -0.281) 2.092 3.142 ( -1.210 2.306 -0.831) 2.734 3.170 ( -2.670 -2.289 -0.829) 3.613 3.198 ( -0.488 -0.979 -0.336) 1.144 3.245 ( -0.212 2.126 3.002) 3.685 3.294 ( -1.887 -0.692 2.307) 3.060 3.307 ( -0.744 1.974 0.609) 2.195 3.333 ( -1.316 1.839 0.349) 2.288 3.386 ( -1.652 -4.794 1.694) 5.346 3.417 ( -6.020 -2.426 2.853) 7.089 3.449 ( 1.278 -4.584 -2.316) 5.292 3.476 ( 0.869 -3.963 -1.963) 4.507 3.508 ( 1.051 -2.537 -2.409) 3.653 3.540 ( 1.365 -2.654 0.618) 3.048 3.558 ( 1.043 0.769 0.863) 1.557 3.589 ( -4.152 -2.822 -3.213) 5.961 3.601 ( -3.309 2.163 0.625) 4.003 3.634 ( 0.369 -1.306 -0.216) 1.374 3.646 ( 1.566 -4.017 0.998) 4.425 3.675 ( -3.319 -1.022 1.762) 3.894 3.719 ( 0.092 0.158 -1.831) 1.840 3.743 ( -2.478 -1.200 2.233) 3.545 3.787 ( 2.262 -0.281 -1.754) 2.876 3.859 ( 4.828 0.401 0.754) 4.903 3.884 ( 1.962 -0.916 -0.094) 2.168 3.919 ( 0.740 0.333 -0.253) 0.850 3.937 ( 1.433 0.615 0.806) 1.755 3.969 ( -1.426 0.935 1.028) 1.991 4.032 ( -4.497 -1.527 -1.106) 4.876 4.081 ( -2.502 -1.558 -2.118) 3.630 4.092 ( 0.224 -1.118 1.808) 2.138 4.118 ( -0.527 0.216 -2.341) 2.409 4.145 ( -5.377 0.113 2.524) 5.941 4.160 ( 0.663 0.773 -2.278) 2.495 4.193 ( -3.339 0.108 -0.105) 3.342 4.229 ( 1.002 -1.834 -0.756) 2.222 4.253 ( -1.538 -2.735 -1.466) 3.464 4.316 ( 0.890 -0.991 2.115) 2.500 4.330 ( 1.417 -1.689 1.119) 2.473 4.358 ( 1.527 1.188 -1.470) 2.430 4.423 ( -3.472 -3.527 0.397) 4.965 4.490 ( -3.278 -1.468 0.268) 3.602 4.551 ( 2.407 1.585 -0.604) 2.944 4.573 ( -1.071 -1.219 -0.225) 1.639 4.607 ( -0.533 -0.080 -2.327) 2.389 4.669 ( 2.954 -0.026 -0.924) 3.095 4.740 ( -1.061 -0.808 -0.462) 1.411 4.795 ( -1.532 2.702 0.710) 3.186 4.843 ( 3.318 0.775 5.806) 6.732 4.861 ( 6.571 -0.965 2.225) 7.004 4.922 ( -0.349 1.489 -2.008) 2.524 4.984 ( 0.594 -0.056 3.160) 3.216 5.092 ( 1.860 -0.143 1.393) 2.328 5.104 ( 1.246 0.895 3.720) 4.024 5.151 ( 1.387 -1.573 -1.543) 2.604 5.202 ( -3.175 -1.343 -0.253) 3.457 5.257 ( -3.101 -0.682 -2.093) 3.803 5.317 ( -0.356 1.179 3.431) 3.645 5.392 ( 2.216 -1.536 -0.506) 2.743 5.412 ( -1.300 1.055 -4.364) 4.674 5.434 ( 0.015 0.513 0.199) 0.550 5.500 ( 0.842 1.403 -0.716) 1.786 5.511 ( 2.700 -1.875 0.827) 3.389 5.529 ( 4.192 -0.750 0.510) 4.289 5.612 ( -1.619 -2.543 5.662) 6.414 5.705 ( -3.055 -2.834 -0.922) 4.268 5.774 ( 1.986 -3.251 2.407) 4.507 5.815 ( -0.553 -1.349 1.074) 1.811 5.842 ( -0.504 -0.172 -1.509) 1.600 5.865 ( -6.170 -3.592 1.574) 7.311 6.035 ( 2.934 -1.258 -1.477) 3.518 6.229 ( -4.612 -1.369 1.310) 4.986 6.259 ( 2.022 0.606 -1.191) 2.424 6.339 ( -1.128 -0.391 -0.546) 1.313 6.574 ( 0.476 0.660 0.631) 1.030 6.622 ( -0.231 0.268 -1.328) 1.374 6.708 ( 0.399 -0.036 0.955) 1.036 6.772 ( -0.924 -0.654 -0.536) 1.252 7.808 ( 0.452 -0.144 0.194) 0.513 7.832 ( 0.658 -0.092 -0.185) 0.690 7.864 ( -0.863 -0.584 -0.370) 1.106 7.871 ( -0.962 -0.149 0.392) 1.049 7.952 ( 0.808 -1.435 0.018) 1.648 7.973 ( 1.948 -2.427 0.153) 3.116 7.989 ( -0.365 -1.492 -0.254) 1.557 8.004 ( 0.084 -1.993 -0.114) 1.998 8.845 ( 1.494 1.924 -0.051) 2.436 8.859 ( 1.128 1.739 0.142) 2.078 8.933 ( 1.796 -0.143 0.680) 1.926 8.957 ( 2.169 0.128 -0.449) 2.218 9.022 ( 1.604 0.974 0.905) 2.083 9.066 ( 1.563 2.271 -0.829) 2.879 9.146 ( -1.480 1.658 1.414) 2.634 9.199 ( -2.380 2.831 -0.684) 3.761 9.221 ( -0.368 2.045 0.447) 2.126 9.236 ( 0.145 1.936 -0.573) 2.025 9.361 ( 0.100 4.197 1.242) 4.378 9.399 ( -1.565 5.092 -1.252) 5.472 9.574 ( 5.881 0.384 2.780) 6.516 9.642 ( 7.380 -3.331 -4.849) 9.438 9.730 ( -0.146 -0.974 0.495) 1.102 9.780 ( 1.509 -2.689 -0.624) 3.146 9.818 ( -0.247 -0.279 0.454) 0.588 9.837 ( -0.476 -1.320 -1.043) 1.749 9.907 ( 0.567 -0.747 0.616) 1.122 9.944 ( 1.344 0.224 -2.509) 2.855 9.999 ( -1.395 0.841 0.267) 1.651 10.025 ( -1.614 -0.163 -1.000) 1.905 10.130 ( 0.976 2.416 -0.546) 2.662 10.162 ( -0.518 2.538 -0.116) 2.593 10.236 ( 2.434 0.378 -0.278) 2.479 10.257 ( 4.255 0.768 -0.118) 4.325 10.349 ( -4.684 4.146 -1.255) 6.380 10.370 ( -2.025 0.552 0.882) 2.277 10.502 ( 1.516 2.942 -0.604) 3.364 10.519 ( 0.409 1.253 -0.189) 1.332 10.594 ( -1.084 3.735 -0.038) 3.889 10.645 ( -0.794 6.940 -0.823) 7.034 10.688 ( 2.177 2.651 -0.399) 3.453 10.724 ( 2.931 4.963 1.612) 5.985 10.914 ( -2.066 0.429 0.939) 2.309 10.922 ( -4.648 -2.644 -0.456) 5.367 11.119 ( -2.454 -0.064 0.509) 2.507 11.164 ( -2.736 1.075 -2.531) 3.879 11.222 ( 1.984 -3.198 0.638) 3.817 11.267 ( 1.197 -1.601 -1.323) 2.397======================= Grid point 52 (22/35) =======================q-point: (-0.50 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -11.340 7.925 6.473) 15.274 1.074 ( 1.678 6.636 3.778) 7.818 1.099 ( -0.443 9.634 6.167) 11.448 1.152 ( 15.782 6.939 6.182) 18.315 1.205 ( 3.850 5.282 -3.292) 7.319 1.315 ( -6.897 4.781 -7.949) 11.559 1.325 ( -7.476 3.694 -7.445) 11.179 1.403 ( 3.432 8.284 -9.694) 13.205 1.568 ( 0.567 3.576 3.446) 4.998 1.616 ( -4.283 1.677 0.684) 4.651 1.703 ( 6.789 0.714 4.957) 8.436 1.759 ( -2.491 2.756 0.687) 3.778 1.791 ( -4.096 5.223 4.871) 8.234 1.897 ( 0.044 4.641 -0.669) 4.689 1.931 ( 9.583 6.304 2.070) 11.655 1.987 ( -4.675 4.043 -0.744) 6.226 2.189 ( 0.913 4.677 3.287) 5.789 2.265 ( -0.741 1.397 -1.954) 2.514 2.302 ( 3.574 2.006 0.267) 4.108 2.320 ( -1.557 1.685 -0.193) 2.302 2.356 ( -0.834 -1.897 -1.281) 2.436 2.373 ( 0.500 -1.865 -1.877) 2.693 2.433 ( 0.936 4.736 -0.519) 4.855 2.468 ( 0.678 4.199 -1.474) 4.501 2.516 ( 2.006 -2.621 4.301) 5.421 2.530 ( -0.547 1.229 0.438) 1.415 2.570 ( -2.853 0.222 -1.875) 3.421 2.612 ( -2.562 -0.814 -0.089) 2.689 2.633 ( 1.596 -0.820 1.193) 2.155 2.650 ( -0.460 -0.130 -0.158) 0.504 2.696 ( 2.343 1.559 -0.718) 2.904 2.718 ( -4.710 1.158 1.199) 4.996 2.784 ( 0.637 -1.094 0.601) 1.401 2.818 ( -1.156 2.201 -0.840) 2.624 2.832 ( 0.939 -4.908 0.612) 5.035 2.894 ( -0.138 -3.036 -2.868) 4.179 2.937 ( -2.854 -2.706 2.659) 4.748 2.960 ( 1.084 -3.601 0.021) 3.761 2.991 ( -1.907 -1.110 -0.926) 2.393 3.005 ( -0.933 -0.199 1.475) 1.757 3.053 ( 3.727 -0.418 -3.203) 4.932 3.084 ( -0.814 0.048 0.946) 1.249 3.119 ( 0.531 -1.621 -1.081) 2.019 3.152 ( 2.400 -0.351 2.906) 3.785 3.190 ( -1.163 -1.645 -1.936) 2.793 3.223 ( -1.609 0.692 0.543) 1.833 3.240 ( -1.738 0.597 -0.819) 2.012 3.268 ( 2.837 0.252 1.614) 3.274 3.273 ( 5.726 2.691 -3.107) 7.048 3.338 ( 0.409 -0.624 -0.314) 0.809 3.354 ( 2.601 0.645 -2.122) 3.418 3.383 ( -5.131 -3.374 0.588) 6.169 3.427 ( -2.531 -2.787 -2.597) 4.573 3.441 ( 0.276 -2.083 -2.586) 3.332 3.491 ( -1.277 -1.588 -0.032) 2.038 3.503 ( -0.772 -0.671 -2.913) 3.088 3.536 ( -0.751 -2.475 2.946) 3.920 3.574 ( -0.694 -0.926 0.817) 1.416 3.615 ( -0.987 -1.338 0.012) 1.663 3.634 ( -1.656 -1.873 -1.570) 2.952 3.647 ( 0.188 -1.386 0.308) 1.432 3.687 ( 5.223 -2.618 3.755) 6.945 3.728 ( 1.708 1.198 0.400) 2.124 3.764 ( 1.418 -2.419 -0.983) 2.971 3.835 ( 0.139 -0.270 0.377) 0.484 3.857 ( -4.215 1.032 0.426) 4.361 3.905 ( -0.650 -0.408 0.014) 0.768 3.924 ( 0.147 -1.462 -0.007) 1.470 3.942 ( 0.587 -0.251 1.162) 1.326 3.958 ( -0.749 0.953 -0.191) 1.226 3.974 ( 0.948 -1.529 1.086) 2.102 4.018 ( -2.330 0.100 -2.908) 3.727 4.076 ( 0.689 0.582 0.780) 1.192 4.104 ( 0.701 -1.172 -2.105) 2.509 4.125 ( -0.592 0.457 2.104) 2.233 4.161 ( 1.704 -0.188 -0.387) 1.758 4.211 ( 2.144 -2.372 -1.978) 3.760 4.233 ( -0.954 -1.597 -2.571) 3.173 4.241 ( 1.398 -2.553 1.248) 3.167 4.294 ( -2.234 -0.338 -2.323) 3.241 4.357 ( 0.865 -2.165 0.157) 2.337 4.380 ( 0.393 -2.141 -1.720) 2.774 4.421 ( 1.758 -1.555 -0.088) 2.349 4.455 ( 0.428 0.342 -2.873) 2.925 4.511 ( -2.463 0.665 2.794) 3.783 4.588 ( -0.213 1.221 -1.960) 2.319 4.631 ( 2.577 -1.254 1.221) 3.115 4.665 ( -2.470 -0.978 0.784) 2.770 4.738 ( -0.833 1.264 -0.485) 1.590 4.773 ( 0.559 1.872 -1.378) 2.391 4.876 ( 2.107 0.440 3.668) 4.253 4.904 ( 0.225 0.996 1.198) 1.574 4.966 ( 1.841 0.097 5.961) 6.240 5.072 ( 3.438 -1.657 3.133) 4.937 5.123 ( -2.708 1.521 0.263) 3.117 5.130 ( 2.021 0.761 2.715) 3.469 5.154 ( 0.010 -1.021 -0.439) 1.111 5.162 ( 0.344 -1.117 -1.490) 1.894 5.209 ( -1.752 -0.490 -0.375) 1.858 5.254 ( -3.384 0.507 0.644) 3.481 5.356 ( -2.453 1.159 -0.005) 2.713 5.423 ( -2.074 -1.789 -2.371) 3.623 5.473 ( 3.917 -0.363 3.471) 5.246 5.513 ( -0.397 0.728 0.651) 1.054 5.521 ( 0.038 -1.695 0.649) 1.816 5.580 ( -0.527 -2.134 3.075) 3.780 5.593 ( -2.150 0.840 -3.169) 3.921 5.610 ( -3.594 -0.913 1.242) 3.911 5.783 ( -1.105 -1.913 0.454) 2.255 5.802 ( 1.553 -2.014 -0.530) 2.598 5.838 ( 0.456 0.454 -0.014) 0.644 5.869 ( 5.214 -0.199 -2.337) 5.717 6.108 ( -6.199 -0.765 0.763) 6.293 6.166 ( 7.902 -1.590 -3.623) 8.838 6.293 ( -3.585 -0.328 0.944) 3.722 6.298 ( 1.467 -0.151 0.386) 1.524 6.588 ( 0.704 0.618 0.623) 1.124 6.606 ( -0.884 0.231 -0.792) 1.209 6.732 ( 1.441 -0.182 0.653) 1.593 6.742 ( -1.567 -0.512 -0.196) 1.660 7.824 ( 0.654 0.363 0.160) 0.765 7.830 ( -0.152 0.443 -0.244) 0.528 7.847 ( -1.278 -0.468 0.691) 1.526 7.864 ( 0.794 -1.243 -0.625) 1.602 7.970 ( 0.843 -1.889 0.244) 2.083 7.977 ( -0.772 -2.157 -0.323) 2.314 7.996 ( 0.101 -2.055 0.186) 2.066 8.000 ( -0.167 -1.768 -0.112) 1.780 8.861 ( -0.285 1.576 0.307) 1.631 8.869 ( 0.342 1.660 -0.273) 1.717 8.961 ( 0.273 -0.653 1.040) 1.258 8.984 ( -0.293 -0.081 -0.702) 0.765 9.045 ( 0.293 2.285 1.410) 2.701 9.079 ( -0.768 2.470 -1.223) 2.861 9.132 ( 0.655 1.374 1.087) 1.870 9.154 ( -0.178 2.130 -0.647) 2.233 9.215 ( -0.349 2.808 1.080) 3.029 9.242 ( 0.443 2.518 -1.017) 2.751 9.367 ( -0.069 3.010 0.795) 3.114 9.388 ( 0.069 3.683 -0.814) 3.772 9.629 ( -1.633 -0.736 3.554) 3.980 9.731 ( 2.168 -2.798 -2.094) 4.113 9.740 ( 0.719 -3.005 0.736) 3.176 9.791 ( -0.597 -6.064 -0.137) 6.095 9.825 ( 0.210 -1.008 -0.797) 1.302 9.838 ( -1.005 0.791 -1.885) 2.278 9.898 ( 0.745 -1.326 0.900) 1.767 9.931 ( -0.148 -1.457 -1.907) 2.405 10.007 ( -0.519 1.441 -0.344) 1.570 10.012 ( 0.920 0.987 -0.623) 1.486 10.141 ( -0.104 1.846 0.963) 2.085 10.166 ( -0.550 3.428 -1.101) 3.643 10.269 ( -1.157 5.984 -0.049) 6.095 10.282 ( 2.413 2.629 -1.233) 3.776 10.320 ( -2.658 -1.406 0.409) 3.035 10.334 ( 1.174 -1.637 -0.606) 2.103 10.503 ( -0.106 1.411 0.633) 1.550 10.534 ( 1.075 2.777 -2.078) 3.631 10.598 ( 1.122 4.416 0.797) 4.626 10.622 ( -0.737 4.889 -1.299) 5.112 10.744 ( 0.862 1.545 1.158) 2.114 10.767 ( -2.164 2.818 -0.559) 3.596 10.835 ( 0.835 -0.586 2.407) 2.614 10.879 ( -0.901 1.090 -1.134) 1.813 11.088 ( -0.310 0.872 1.238) 1.546 11.137 ( -0.144 1.967 -2.703) 3.346 11.245 ( 0.202 -2.941 1.016) 3.118 11.276 ( 0.007 -2.038 -1.488) 2.524======================= Grid point 54 (23/35) =======================q-point: (-0.25 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( -9.020 10.355 12.742) 18.734 0.871 ( -10.328 16.435 10.237) 21.945 1.089 ( -10.758 10.252 -10.121) 17.979 1.169 ( -7.468 6.116 -11.519) 15.029 1.269 ( -14.828 8.823 12.258) 21.165 1.296 ( 1.603 7.101 2.821) 7.807 1.328 ( 6.438 5.785 1.777) 8.835 1.470 ( 13.956 4.921 1.895) 14.919 1.544 ( 4.473 6.268 -2.226) 8.016 1.609 ( 5.041 0.215 -0.824) 5.112 1.715 ( 3.006 0.840 1.352) 3.401 1.802 ( 1.804 -0.022 -5.862) 6.133 1.842 ( 1.630 5.225 0.363) 5.485 1.852 ( 2.970 1.483 1.048) 3.482 1.990 ( 0.832 2.151 1.214) 2.607 2.058 ( -4.433 4.799 -0.898) 6.595 2.139 ( -8.023 3.567 -1.219) 8.864 2.175 ( -6.042 1.346 -1.792) 6.444 2.249 ( -4.345 -1.409 -0.474) 4.592 2.290 ( 3.905 -0.273 1.837) 4.325 2.312 ( -4.424 -1.360 -1.878) 4.995 2.344 ( -1.705 -0.211 -2.506) 3.039 2.413 ( 0.379 2.101 -1.701) 2.729 2.463 ( -2.715 4.961 5.711) 8.037 2.481 ( -3.056 1.100 0.939) 3.381 2.512 ( 0.854 -0.521 -0.249) 1.031 2.574 ( 0.601 -1.374 1.102) 1.861 2.641 ( -0.986 0.208 3.006) 3.170 2.642 ( -0.238 3.719 -0.514) 3.762 2.671 ( 2.199 -1.719 0.132) 2.794 2.695 ( -0.967 1.579 -4.023) 4.429 2.732 ( 0.857 0.216 0.119) 0.892 2.759 ( 0.532 -2.388 -2.186) 3.281 2.809 ( 1.374 -0.162 -1.612) 2.124 2.878 ( 1.716 -2.639 0.456) 3.180 2.907 ( -0.670 0.524 1.286) 1.541 2.934 ( 1.710 -0.424 0.510) 1.834 2.974 ( 4.513 -0.955 0.582) 4.650 3.008 ( 0.932 -1.638 -0.970) 2.120 3.035 ( 1.153 -1.572 -0.301) 1.973 3.064 ( -0.565 -0.808 1.549) 1.836 3.074 ( 0.943 -1.805 -2.803) 3.465 3.129 ( 0.044 0.013 -0.112) 0.121 3.163 ( 0.557 2.553 -1.768) 3.155 3.165 ( -0.624 -1.190 -2.308) 2.670 3.247 ( -0.438 -1.985 -2.186) 2.985 3.285 ( 3.753 2.499 0.287) 4.518 3.293 ( 2.018 0.708 -0.122) 2.142 3.332 ( 0.548 -0.444 3.875) 3.939 3.345 ( 1.823 -2.695 1.931) 3.784 3.385 ( 2.583 -3.207 -0.216) 4.123 3.395 ( -1.382 -2.777 -2.231) 3.821 3.429 ( -1.362 -2.119 -0.091) 2.521 3.463 ( 0.067 -1.827 -1.430) 2.322 3.478 ( 7.654 -3.201 -0.197) 8.299 3.504 ( 2.109 -0.713 0.203) 2.235 3.546 ( -0.315 -1.643 3.421) 3.808 3.569 ( -2.801 -1.700 1.439) 3.579 3.586 ( 1.625 -0.641 0.310) 1.774 3.617 ( 0.924 -2.438 -0.230) 2.618 3.658 ( 1.321 1.632 1.905) 2.835 3.727 ( -2.113 2.156 -2.381) 3.845 3.748 ( 0.602 -0.661 -5.995) 6.061 3.789 ( 2.485 -2.119 2.283) 3.985 3.804 ( -0.048 -0.021 0.830) 0.832 3.837 ( 0.160 -0.775 0.183) 0.812 3.867 ( -3.745 -1.568 -1.059) 4.196 3.919 ( -2.121 -1.192 -0.991) 2.627 3.947 ( 3.043 -1.705 3.003) 4.603 3.957 ( -2.398 -0.127 -0.455) 2.444 3.972 ( 0.462 0.099 1.816) 1.877 4.048 ( 3.893 -0.355 0.276) 3.919 4.094 ( -0.157 -2.090 -0.780) 2.236 4.108 ( 1.790 0.403 0.520) 1.907 4.171 ( 3.150 -0.172 0.521) 3.197 4.184 ( -1.269 -1.836 -0.906) 2.409 4.214 ( -0.576 -1.774 -2.340) 2.992 4.245 ( 1.289 1.000 -3.071) 3.478 4.260 ( 1.241 -1.241 2.473) 3.033 4.302 ( 1.811 -2.096 -3.254) 4.274 4.348 ( -0.125 -1.650 1.954) 2.560 4.395 ( 0.827 -0.218 -3.234) 3.345 4.446 ( -0.046 -2.674 0.439) 2.710 4.465 ( 0.686 -1.456 1.082) 1.940 4.513 ( 2.876 0.703 0.568) 3.015 4.585 ( -1.925 0.252 1.401) 2.394 4.618 ( -0.741 0.569 -4.078) 4.183 4.649 ( 0.909 1.227 -0.525) 1.615 4.756 ( -2.058 0.713 0.481) 2.230 4.768 ( 0.657 2.443 -0.223) 2.540 4.858 ( -1.709 -0.371 3.081) 3.542 4.924 ( -1.110 0.306 -0.262) 1.180 4.961 ( -5.847 -0.044 -0.620) 5.880 5.029 ( -3.044 0.888 1.354) 3.448 5.081 ( 2.882 0.842 2.348) 3.812 5.104 ( -2.459 -0.674 -0.286) 2.566 5.165 ( 0.164 -0.217 1.991) 2.009 5.181 ( -0.672 -0.447 1.038) 1.315 5.197 ( 2.079 -0.093 -2.964) 3.621 5.273 ( 3.143 -1.455 4.061) 5.337 5.356 ( -0.632 -0.936 -0.531) 1.248 5.390 ( 2.079 -2.293 6.103) 6.843 5.450 ( -4.415 1.371 -1.385) 4.826 5.495 ( -1.778 -1.639 1.260) 2.727 5.500 ( -1.851 0.261 -0.870) 2.062 5.519 ( -1.489 0.805 0.382) 1.735 5.600 ( 2.957 -1.604 2.334) 4.094 5.642 ( 2.373 -2.240 3.024) 4.449 5.750 ( -1.725 -0.885 2.421) 3.102 5.833 ( 0.254 -1.226 -0.947) 1.570 5.893 ( -1.194 -3.340 0.642) 3.604 5.912 ( 4.968 -5.164 -2.824) 7.702 6.093 ( 4.642 0.930 -5.152) 6.997 6.194 ( -6.048 -0.266 3.346) 6.917 6.289 ( 4.237 -0.851 -2.510) 4.997 6.315 ( 0.185 -0.384 1.298) 1.366 6.587 ( -0.719 0.741 1.179) 1.567 6.598 ( 0.061 0.375 -1.230) 1.287 6.738 ( 1.224 -0.523 -1.454) 1.972 6.746 ( -0.229 -0.355 1.584) 1.639 7.816 ( -0.372 -0.135 -0.219) 0.453 7.823 ( -0.964 -0.256 0.259) 1.030 7.856 ( 1.465 0.049 0.151) 1.474 7.880 ( 0.693 -0.724 -0.230) 1.029 7.957 ( -1.407 -2.217 -0.326) 2.646 7.969 ( -1.172 -1.146 0.422) 1.693 7.992 ( 0.251 -2.200 -0.467) 2.263 8.000 ( -0.201 -1.688 0.187) 1.710 8.843 ( -1.243 2.092 0.027) 2.434 8.863 ( -1.263 1.132 -0.058) 1.697 8.940 ( -1.793 -0.320 0.868) 2.017 8.950 ( -2.198 0.362 -0.611) 2.310 9.028 ( -1.541 1.440 1.008) 2.338 9.056 ( -1.328 1.805 -0.653) 2.334 9.158 ( 1.325 1.360 1.382) 2.348 9.190 ( 2.264 3.152 -0.772) 3.956 9.215 ( 0.303 1.384 0.236) 1.436 9.246 ( -0.224 2.126 -0.627) 2.228 9.361 ( -0.010 4.428 1.255) 4.602 9.400 ( 1.723 4.751 -1.309) 5.220 9.552 ( -4.852 0.529 2.068) 5.300 9.673 ( -8.442 -3.478 -4.671) 10.256 9.749 ( -0.080 -0.903 0.710) 1.152 9.765 ( -1.144 -2.471 -1.030) 2.911 9.814 ( 0.467 -0.812 0.556) 1.089 9.838 ( 0.509 -1.030 -0.925) 1.475 9.906 ( -1.278 -1.312 0.655) 1.946 9.949 ( -0.782 0.530 -3.060) 3.203 9.998 ( 0.804 0.245 0.513) 0.985 10.028 ( 1.447 1.174 -1.403) 2.333 10.131 ( -0.140 2.641 -0.222) 2.654 10.152 ( 0.289 1.795 0.244) 1.835 10.231 ( -4.186 -0.285 -0.124) 4.198 10.262 ( -2.373 1.792 -0.293) 2.988 10.336 ( 2.873 1.659 0.033) 3.318 10.381 ( 4.320 3.347 -0.254) 5.471 10.505 ( -1.156 1.265 -0.673) 1.842 10.533 ( -1.918 1.668 -1.359) 2.882 10.610 ( 0.638 4.748 -1.500) 5.020 10.639 ( 1.818 5.198 0.113) 5.507 10.667 ( -2.985 3.368 0.934) 4.596 10.735 ( -2.189 4.849 0.567) 5.350 10.891 ( 2.977 -0.063 1.555) 3.359 10.919 ( 3.408 -0.174 0.824) 3.510 11.113 ( 2.630 -0.245 0.552) 2.698 11.156 ( 1.980 0.493 -1.271) 2.404 11.228 ( -1.600 -1.928 -0.219) 2.515 11.269 ( -1.025 -2.172 -1.250) 2.708======================= Grid point 55 (24/35) =======================q-point: ( 0.00 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( 0.392 15.201 10.572) 18.520 1.002 ( -3.162 16.319 10.158) 19.481 1.156 ( -1.875 8.664 -6.680) 11.100 1.265 ( 3.227 9.336 -9.545) 13.736 1.390 ( 3.414 5.548 4.769) 8.073 1.501 ( 1.005 3.316 -2.879) 4.505 1.569 ( -1.850 14.157 5.328) 15.239 1.691 ( 2.362 6.161 -3.718) 7.573 1.716 ( -0.415 5.983 1.060) 6.091 1.740 ( -0.597 2.860 -0.604) 2.983 1.820 ( -0.162 8.069 -0.893) 8.120 1.855 ( 0.354 2.687 -2.003) 3.370 1.941 ( -8.068 3.592 -0.110) 8.833 1.959 ( 0.554 2.006 -0.484) 2.136 1.974 ( -2.747 3.829 5.179) 7.002 2.036 ( 5.770 5.429 2.405) 8.279 2.082 ( -3.448 5.939 -1.818) 7.104 2.105 ( 2.453 0.078 -0.700) 2.552 2.224 ( 1.668 0.716 1.331) 2.251 2.257 ( -0.274 0.964 -0.666) 1.203 2.306 ( 2.150 -0.979 -0.496) 2.414 2.344 ( -2.440 -1.089 -2.855) 3.910 2.403 ( -0.633 -1.353 3.080) 3.423 2.423 ( 2.757 2.118 -0.374) 3.497 2.473 ( 0.041 -0.747 -0.769) 1.073 2.523 ( 1.309 -2.364 -2.838) 3.919 2.556 ( -3.406 -0.519 1.938) 3.953 2.603 ( 0.980 0.139 -1.371) 1.691 2.650 ( -0.260 -0.664 3.898) 3.963 2.698 ( -1.432 -2.365 0.062) 2.766 2.724 ( -0.969 -1.657 0.456) 1.974 2.762 ( -1.937 -0.013 -2.527) 3.184 2.786 ( 1.355 -2.127 -2.599) 3.621 2.822 ( -0.335 2.071 -4.241) 4.732 2.888 ( -1.717 -0.777 1.596) 2.470 2.894 ( 5.610 1.164 1.031) 5.822 2.959 ( 0.212 0.181 2.052) 2.071 2.963 ( -1.326 -3.090 1.516) 3.688 3.014 ( -0.582 1.509 -1.421) 2.153 3.031 ( 2.501 -2.423 -0.453) 3.512 3.034 ( 1.579 -0.967 1.492) 2.378 3.078 ( 2.318 0.246 -1.498) 2.771 3.124 ( -2.822 -2.283 -2.084) 4.186 3.155 ( 0.662 2.070 -1.522) 2.654 3.163 ( -1.988 -2.547 -0.271) 3.243 3.196 ( -1.499 -2.141 -2.313) 3.490 3.273 ( 0.801 -2.287 -0.314) 2.444 3.284 ( 1.595 -3.457 0.578) 3.850 3.301 ( 0.671 -0.714 0.470) 1.087 3.324 ( 0.581 -3.190 0.832) 3.348 3.324 ( 1.428 -3.703 -2.483) 4.681 3.377 ( -2.651 2.002 -1.979) 3.866 3.415 ( 0.409 -2.359 2.197) 3.250 3.444 ( 3.247 0.124 1.675) 3.655 3.469 ( -2.055 -1.431 2.181) 3.321 3.499 ( -0.718 -0.282 -0.998) 1.261 3.535 ( -1.033 -0.021 -2.645) 2.839 3.561 ( -3.347 2.009 -2.725) 4.761 3.597 ( 2.329 0.207 2.733) 3.597 3.636 ( 1.118 1.334 1.379) 2.221 3.674 ( -2.334 -1.161 0.896) 2.757 3.695 ( 2.424 -0.601 2.278) 3.380 3.756 ( -3.088 0.173 -1.860) 3.609 3.777 ( 0.796 -1.759 -1.639) 2.533 3.790 ( -1.246 -0.712 -2.145) 2.581 3.824 ( -1.993 -0.935 -0.300) 2.222 3.852 ( 4.024 -1.584 1.168) 4.480 3.903 ( -2.047 -0.500 1.184) 2.416 3.908 ( 1.533 -0.324 -0.860) 1.787 3.930 ( -0.686 -0.855 -0.189) 1.112 3.995 ( -0.567 -2.466 4.696) 5.334 4.046 ( 2.621 -2.412 4.955) 6.102 4.062 ( 0.777 -3.039 1.164) 3.346 4.106 ( -1.820 -1.218 -2.236) 3.130 4.134 ( -0.373 -3.036 -1.848) 3.574 4.184 ( 3.299 -0.459 -2.898) 4.416 4.209 ( -0.161 -3.381 0.668) 3.450 4.244 ( 1.215 0.802 -1.749) 2.276 4.261 ( -0.162 -0.560 1.726) 1.822 4.306 ( -0.601 -2.282 0.663) 2.451 4.367 ( 1.934 5.373 1.195) 5.834 4.389 ( -5.367 1.795 -2.629) 6.240 4.416 ( -0.165 -0.352 0.434) 0.582 4.496 ( 4.149 3.105 -2.878) 5.928 4.543 ( -2.233 -0.385 1.464) 2.698 4.576 ( -0.266 1.024 -0.172) 1.072 4.632 ( -0.446 1.023 -1.811) 2.128 4.644 ( 0.529 -0.557 -0.859) 1.152 4.715 ( 0.719 -1.883 1.860) 2.743 4.767 ( -3.777 0.260 -0.433) 3.811 4.808 ( -1.764 -0.725 3.411) 3.908 4.907 ( -1.533 2.081 -1.283) 2.886 4.924 ( 2.163 0.981 -1.077) 2.608 4.977 ( -2.226 -2.195 -4.495) 5.475 5.060 ( 0.116 -1.387 0.530) 1.490 5.112 ( -1.152 -1.998 -2.360) 3.300 5.134 ( -0.095 0.586 2.244) 2.321 5.180 ( 0.558 -0.263 -0.361) 0.715 5.275 ( 1.554 -0.432 3.242) 3.621 5.290 ( 2.028 -0.111 2.337) 3.096 5.376 ( 4.895 -0.525 3.298) 5.926 5.389 ( 0.090 -1.715 3.863) 4.228 5.408 ( -1.851 -0.875 -0.059) 2.049 5.436 ( 0.528 1.172 -3.372) 3.608 5.496 ( -0.683 -2.607 -0.366) 2.720 5.506 ( 0.968 -1.121 0.887) 1.727 5.560 ( 2.281 -1.669 4.183) 5.048 5.635 ( 0.351 -2.977 -1.608) 3.402 5.708 ( -0.880 -0.106 2.139) 2.316 5.786 ( -0.771 -2.782 -2.012) 3.519 5.820 ( 0.282 -1.200 -0.562) 1.354 5.840 ( -1.460 -3.697 -1.808) 4.367 6.094 ( -4.830 1.591 4.452) 6.758 6.198 ( 3.064 0.282 -3.498) 4.659 6.293 ( -1.567 -0.187 1.183) 1.973 6.328 ( 1.408 -0.555 -1.434) 2.085 6.595 ( -0.479 1.383 0.833) 1.684 6.623 ( 0.880 0.899 -1.473) 1.937 6.722 ( -1.253 -0.075 1.376) 1.862 6.755 ( 1.110 -0.772 -1.241) 1.835 7.798 ( -0.227 -0.439 0.351) 0.606 7.809 ( 0.222 -0.498 -0.491) 0.734 7.865 ( -0.075 -1.153 0.445) 1.238 7.871 ( 0.081 -0.603 -0.069) 0.612 7.912 ( 0.467 -1.602 0.397) 1.715 7.924 ( -0.755 -1.659 -0.560) 1.907 7.954 ( 0.386 -2.518 0.328) 2.568 7.962 ( -0.121 -2.088 -0.311) 2.115 8.853 ( -0.086 0.350 0.200) 0.412 8.860 ( 0.074 0.309 -0.382) 0.497 8.908 ( -0.040 -0.818 0.622) 1.029 8.923 ( 0.105 -0.851 -0.518) 1.002 9.083 ( -0.526 5.725 1.557) 5.956 9.117 ( 0.541 5.599 -1.109) 5.734 9.196 ( -0.519 1.127 2.147) 2.479 9.242 ( 0.823 0.882 -1.555) 1.968 9.272 ( 0.090 3.181 0.240) 3.192 9.277 ( -0.227 2.482 -0.208) 2.501 9.463 ( -0.234 2.043 2.252) 3.049 9.507 ( 0.779 1.072 0.105) 1.329 9.516 ( 2.389 0.350 -1.074) 2.643 9.525 ( -3.182 1.262 -0.731) 3.500 9.724 ( -0.380 -1.380 0.739) 1.611 9.743 ( 0.130 -0.878 -0.765) 1.172 9.816 ( 0.446 -0.817 0.315) 0.983 9.826 ( -0.502 -0.935 -0.561) 1.200 9.879 ( 1.180 -1.279 0.794) 1.913 9.898 ( -1.244 -2.725 -0.592) 3.054 10.016 ( 0.465 0.190 1.591) 1.668 10.086 ( -0.770 3.055 -3.846) 4.972 10.170 ( 0.510 1.100 0.011) 1.213 10.175 ( 0.071 0.562 -0.304) 0.643 10.217 ( 1.108 2.929 1.378) 3.421 10.251 ( -1.082 2.739 -1.234) 3.193 10.353 ( 0.231 -2.100 1.711) 2.718 10.400 ( -0.593 -2.535 -1.996) 3.280 10.601 ( -0.115 5.737 -0.186) 5.741 10.610 ( 0.281 5.574 -0.810) 5.640 10.725 ( -1.710 5.670 0.576) 5.951 10.727 ( 1.618 5.229 0.017) 5.474 10.778 ( 0.822 4.529 1.772) 4.932 10.817 ( -0.698 5.616 -1.645) 5.894 10.908 ( -0.760 -2.413 1.147) 2.778 10.925 ( 1.091 -1.819 -0.619) 2.209 11.145 ( -0.051 0.264 1.902) 1.921 11.163 ( 0.183 0.572 0.595) 0.845 11.201 ( -0.587 -0.289 -2.135) 2.233 11.212 ( 0.441 -0.730 -2.581) 2.719======================= Grid point 56 (25/35) =======================q-point: ( 0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 7.265 11.056 8.233) 15.582 1.101 ( 10.112 14.661 5.936) 18.773 1.169 ( 2.435 7.678 -5.075) 9.521 1.377 ( 5.346 7.388 -6.708) 11.320 1.441 ( -2.201 6.828 -1.358) 7.301 1.452 ( -5.347 6.297 -3.388) 8.928 1.578 ( -5.197 11.370 5.834) 13.796 1.632 ( -6.100 4.355 -1.107) 7.576 1.645 ( 5.027 9.385 2.361) 10.905 1.713 ( -3.518 3.794 -0.638) 5.213 1.748 ( -3.896 6.610 -0.537) 7.692 1.813 ( 3.029 9.742 -1.921) 10.381 1.827 ( -6.437 3.975 4.219) 8.662 1.927 ( 3.279 1.730 1.606) 4.040 2.062 ( 3.228 -0.697 0.953) 3.438 2.125 ( -0.373 0.683 -3.621) 3.704 2.161 ( 2.270 1.077 2.242) 3.367 2.190 ( 8.478 2.490 0.482) 8.850 2.230 ( -1.560 -2.633 -1.835) 3.568 2.307 ( 1.352 3.872 -0.383) 4.119 2.319 ( 6.842 3.651 0.845) 7.801 2.355 ( 2.808 1.760 -0.286) 3.327 2.433 ( 1.074 -5.280 1.329) 5.549 2.459 ( 2.478 1.344 2.420) 3.715 2.497 ( 1.018 1.354 -2.354) 2.900 2.508 ( -0.423 -1.727 1.555) 2.362 2.568 ( 1.923 -2.170 -1.693) 3.357 2.610 ( 0.478 -0.862 -1.552) 1.838 2.658 ( -1.683 1.513 -0.544) 2.328 2.666 ( 0.205 1.952 1.888) 2.724 2.692 ( -0.173 -2.781 2.675) 3.862 2.718 ( -1.389 -1.975 -1.048) 2.632 2.785 ( -0.901 -0.748 -1.619) 1.997 2.808 ( -1.083 0.940 -0.678) 1.586 2.841 ( -2.263 -2.782 0.097) 3.587 2.914 ( -4.245 -1.360 -0.465) 4.482 2.959 ( -0.500 0.057 3.243) 3.282 2.975 ( 2.188 0.587 0.596) 2.343 3.008 ( 1.246 4.016 -3.500) 5.471 3.063 ( -2.229 -0.152 -0.244) 2.247 3.087 ( 0.146 2.080 -3.612) 4.171 3.089 ( 0.082 0.804 0.072) 0.811 3.109 ( 0.231 -0.827 -1.398) 1.641 3.136 ( -1.185 0.281 0.660) 1.385 3.169 ( -0.173 -3.842 1.827) 4.258 3.190 ( 2.593 -1.352 0.981) 3.085 3.213 ( -3.254 -2.144 -0.569) 3.938 3.246 ( -1.380 -0.846 -0.520) 1.700 3.283 ( -4.176 -2.520 3.471) 5.986 3.321 ( -0.565 -2.383 -3.325) 4.130 3.342 ( -1.703 -1.619 -0.940) 2.531 3.367 ( 1.267 -1.424 -2.605) 3.228 3.421 ( -3.572 0.052 0.072) 3.574 3.424 ( -0.964 -0.642 -4.200) 4.357 3.461 ( 1.748 -2.906 1.476) 3.698 3.486 ( 1.650 -0.264 -0.797) 1.851 3.524 ( 0.545 -2.166 1.104) 2.492 3.557 ( 0.501 -0.686 3.204) 3.314 3.604 ( -2.680 0.754 0.777) 2.891 3.620 ( -1.333 -1.214 -0.513) 1.875 3.667 ( -2.828 0.170 -0.573) 2.890 3.684 ( -3.236 1.106 0.511) 3.458 3.694 ( -0.532 0.157 2.557) 2.617 3.737 ( -1.492 0.181 -1.626) 2.214 3.774 ( 0.970 -1.346 -1.687) 2.366 3.844 ( 1.331 -1.987 -1.618) 2.887 3.859 ( 2.011 -0.830 0.238) 2.188 3.904 ( 0.663 -1.837 -1.516) 2.472 3.933 ( -2.030 -1.949 2.856) 4.010 3.962 ( 0.557 -3.212 0.566) 3.309 3.986 ( 2.305 -0.027 0.897) 2.474 4.041 ( -1.488 -1.649 -1.606) 2.741 4.085 ( 0.764 0.342 1.238) 1.495 4.096 ( -1.086 -4.047 2.096) 4.685 4.131 ( 1.396 -2.096 -1.602) 2.984 4.147 ( -4.562 -2.230 0.820) 5.144 4.209 ( -2.283 0.876 -2.118) 3.235 4.222 ( -3.838 2.484 -0.889) 4.657 4.250 ( -3.661 1.806 -1.256) 4.271 4.275 ( 2.130 -2.404 1.753) 3.659 4.305 ( 0.241 -0.897 -1.607) 1.856 4.346 ( -1.971 -0.652 1.706) 2.687 4.424 ( -1.188 1.833 -2.956) 3.675 4.465 ( -3.253 -0.433 -0.929) 3.410 4.561 ( 0.109 0.185 1.350) 1.367 4.581 ( 2.140 1.153 -1.740) 2.990 4.592 ( -0.847 -1.178 -4.224) 4.467 4.656 ( -2.407 -1.548 0.099) 2.863 4.744 ( 0.909 0.745 1.356) 1.795 4.814 ( 6.521 -1.444 6.458) 9.291 4.854 ( 4.403 1.306 4.034) 6.113 4.881 ( 1.227 3.436 -0.026) 3.649 4.937 ( -1.089 -0.559 -2.673) 2.940 4.983 ( 2.117 0.530 1.873) 2.876 5.079 ( 1.819 -1.258 -0.447) 2.256 5.110 ( 1.394 -1.149 -0.746) 1.955 5.141 ( 0.537 0.978 1.679) 2.016 5.180 ( -1.235 -1.187 -0.409) 1.761 5.239 ( -2.201 -0.997 -0.040) 2.416 5.323 ( -3.508 -1.238 1.514) 4.017 5.357 ( 2.663 -2.254 2.976) 4.586 5.411 ( 0.149 -2.165 1.454) 2.612 5.425 ( 0.398 -0.835 -2.109) 2.303 5.467 ( -1.577 -2.850 -0.131) 3.260 5.499 ( 0.101 0.359 -0.005) 0.373 5.551 ( 6.321 1.785 -1.555) 6.750 5.601 ( -0.422 0.672 1.559) 1.749 5.638 ( -0.710 -3.364 -2.068) 4.013 5.742 ( 4.748 -0.512 -0.803) 4.842 5.769 ( -1.040 -2.412 0.273) 2.641 5.798 ( -1.634 -2.021 1.133) 2.835 5.852 ( 1.690 -0.443 0.382) 1.788 6.034 ( 0.322 1.095 0.449) 1.226 6.198 ( -4.053 -1.818 0.502) 4.471 6.273 ( 0.669 0.858 -0.806) 1.354 6.330 ( -1.093 -0.443 -0.429) 1.255 6.593 ( 0.329 1.289 0.408) 1.391 6.630 ( -0.458 0.550 -0.786) 1.063 6.710 ( 0.428 0.315 0.396) 0.662 6.758 ( -0.790 -0.793 -0.372) 1.180 7.802 ( 0.580 -0.441 0.301) 0.788 7.820 ( 0.874 -0.960 -0.400) 1.358 7.856 ( -1.038 -0.247 0.209) 1.087 7.863 ( -0.827 -0.847 -0.027) 1.184 7.915 ( -0.027 -2.322 -0.252) 2.335 7.927 ( 0.951 -2.200 0.591) 2.469 7.952 ( -0.462 -2.455 -0.163) 2.504 7.961 ( 0.084 -2.229 -0.176) 2.237 8.864 ( 0.867 0.011 0.176) 0.885 8.874 ( 0.920 -0.165 -0.385) 1.011 8.918 ( 0.886 -1.209 0.747) 1.675 8.940 ( 1.323 -1.696 -0.685) 2.257 9.089 ( 1.159 5.223 1.085) 5.459 9.147 ( 1.913 5.602 -0.574) 5.948 9.180 ( -0.702 1.879 1.336) 2.411 9.247 ( -0.881 2.053 -0.790) 2.370 9.278 ( 0.865 3.472 -0.252) 3.586 9.282 ( 0.265 2.992 0.262) 3.015 9.426 ( -1.238 2.355 1.389) 3.001 9.462 ( -2.016 1.852 -0.844) 2.865 9.573 ( 3.846 -0.407 1.621) 4.193 9.595 ( 4.243 -1.565 -1.318) 4.711 9.701 ( -2.107 -2.015 0.978) 3.076 9.738 ( -1.217 -2.023 -0.767) 2.482 9.807 ( 0.352 -1.365 -0.849) 1.646 9.819 ( 0.878 -0.418 0.453) 1.073 9.906 ( -0.039 0.495 1.252) 1.347 9.921 ( 0.995 -2.728 -1.448) 3.245 10.001 ( -0.061 -0.271 1.569) 1.593 10.040 ( -2.105 2.304 -2.504) 4.001 10.193 ( 0.006 1.822 0.408) 1.867 10.217 ( 0.037 1.128 -1.038) 1.533 10.222 ( 2.286 1.189 -0.118) 2.580 10.253 ( 2.475 0.920 0.061) 2.641 10.360 ( 0.449 -0.874 1.856) 2.101 10.391 ( -0.822 -0.158 -1.867) 2.046 10.594 ( -1.417 5.835 -0.432) 6.020 10.597 ( -0.861 5.262 -0.690) 5.377 10.677 ( -1.700 4.421 0.061) 4.737 10.749 ( -1.186 3.268 -0.043) 3.477 10.772 ( 0.858 5.459 0.366) 5.538 10.826 ( 0.901 4.094 1.047) 4.321 10.873 ( -2.456 0.173 0.017) 2.462 10.930 ( -0.757 -0.067 -0.570) 0.950 11.131 ( -0.981 1.267 1.184) 1.992 11.169 ( 0.657 -1.576 1.221) 2.099 11.183 ( -0.918 1.074 -2.395) 2.781 11.227 ( 0.511 -1.909 -1.923) 2.757======================= Grid point 57 (26/35) =======================q-point: (-0.50 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 0.438 8.568 1.839) 8.774 1.198 ( -3.503 8.957 1.601) 9.750 1.246 ( 2.582 7.461 1.298) 8.001 1.319 ( 9.292 10.870 -0.165) 14.302 1.356 ( -3.446 3.758 -3.946) 6.447 1.429 ( -3.598 11.596 -1.840) 12.280 1.487 ( -5.625 11.576 1.072) 12.915 1.597 ( 3.911 10.419 -4.117) 11.866 1.631 ( -2.764 2.329 4.307) 5.623 1.712 ( 1.450 6.498 -1.601) 6.847 1.744 ( -1.337 1.654 1.827) 2.804 1.806 ( 5.290 7.458 -0.798) 9.179 1.900 ( -3.126 6.902 3.817) 8.484 1.993 ( -0.077 4.052 -4.443) 6.014 2.028 ( 3.065 3.394 4.239) 6.236 2.083 ( -1.857 5.299 -0.706) 5.659 2.192 ( 2.004 -4.342 -0.482) 4.806 2.219 ( 0.303 -5.416 -1.443) 5.613 2.310 ( -1.194 -0.663 1.737) 2.210 2.331 ( -0.406 -0.384 1.292) 1.408 2.357 ( 1.433 0.454 -0.233) 1.521 2.383 ( -2.710 -0.433 -2.662) 3.824 2.432 ( 0.268 -3.693 2.443) 4.436 2.503 ( -1.482 -1.477 -0.671) 2.197 2.530 ( 0.809 2.881 1.331) 3.275 2.560 ( -0.139 0.230 0.301) 0.403 2.572 ( 1.624 -2.361 0.991) 3.033 2.597 ( -1.268 2.951 2.535) 4.092 2.629 ( 0.690 -1.959 -1.195) 2.396 2.663 ( 1.319 3.088 -0.829) 3.459 2.726 ( -1.336 -1.689 -0.101) 2.155 2.749 ( 3.079 2.184 0.085) 3.776 2.752 ( -0.282 2.170 1.642) 2.735 2.792 ( -4.101 2.769 0.920) 5.033 2.824 ( 3.744 -0.075 -0.834) 3.837 2.864 ( 2.130 -0.163 -3.516) 4.114 2.907 ( -5.600 -0.325 2.859) 6.296 2.956 ( 0.203 4.035 -0.875) 4.133 2.970 ( -0.360 -1.304 0.691) 1.519 3.056 ( -0.117 0.898 1.486) 1.740 3.063 ( -1.969 0.832 1.299) 2.501 3.070 ( -0.233 0.832 -0.426) 0.963 3.108 ( -1.724 1.542 2.385) 3.323 3.154 ( 1.735 -3.445 2.153) 4.418 3.161 ( -0.644 -2.147 0.114) 2.245 3.201 ( -0.763 -2.545 -1.689) 3.148 3.221 ( 1.947 -0.439 -2.906) 3.526 3.258 ( 4.786 -0.959 -3.255) 5.867 3.287 ( -0.957 -2.642 0.694) 2.894 3.304 ( 4.407 -1.540 -0.387) 4.684 3.331 ( -2.611 -2.767 1.129) 3.969 3.348 ( -2.729 -0.396 -0.532) 2.809 3.377 ( 0.205 1.817 -2.392) 3.011 3.432 ( -1.310 -1.313 -4.782) 5.129 3.456 ( 1.838 -1.324 -0.712) 2.374 3.463 ( -3.060 0.617 -1.241) 3.360 3.528 ( 1.113 0.189 1.039) 1.534 3.557 ( -1.044 -2.128 -0.543) 2.432 3.579 ( -0.776 -1.684 -0.699) 1.982 3.601 ( -2.772 -1.970 -1.393) 3.675 3.632 ( 3.323 -1.989 4.348) 5.823 3.672 ( 1.452 1.225 1.059) 2.175 3.702 ( 2.048 -1.939 -0.846) 2.944 3.744 ( 1.412 -0.141 -1.397) 1.991 3.802 ( 1.016 -2.015 0.314) 2.278 3.845 ( -1.344 -2.826 -1.186) 3.347 3.877 ( -0.250 -2.725 -0.304) 2.753 3.887 ( -2.011 -1.873 -0.747) 2.848 3.931 ( -2.415 -0.875 2.124) 3.333 3.951 ( -0.224 -0.541 1.075) 1.224 3.982 ( 0.101 1.952 -0.438) 2.003 4.009 ( -0.311 -0.825 -2.950) 3.079 4.054 ( -1.511 -2.082 1.312) 2.888 4.100 ( -0.295 -1.088 1.439) 1.828 4.120 ( 0.286 1.134 -1.395) 1.820 4.167 ( 1.622 -0.466 -2.761) 3.236 4.185 ( 1.521 -1.350 -0.069) 2.035 4.195 ( 1.175 -0.713 4.324) 4.537 4.210 ( -0.284 -1.256 -1.154) 1.729 4.274 ( -1.795 -2.029 1.449) 3.072 4.316 ( 1.196 -1.258 -1.487) 2.286 4.363 ( -2.004 0.743 -2.607) 3.371 4.393 ( 4.196 -0.870 -1.485) 4.536 4.437 ( -1.154 -0.554 -4.830) 4.997 4.537 ( -2.148 -0.239 1.849) 2.844 4.584 ( 0.949 -1.922 0.942) 2.342 4.610 ( 0.383 -1.030 -1.527) 1.881 4.642 ( 0.214 -0.889 -3.352) 3.474 4.769 ( 1.611 2.686 4.066) 5.132 4.838 ( -1.984 4.021 -1.554) 4.745 4.895 ( 3.229 1.448 6.039) 7.000 4.927 ( -1.217 1.205 2.782) 3.267 4.968 ( 3.318 0.050 2.398) 4.095 5.044 ( 2.162 -1.314 2.777) 3.757 5.112 ( -0.358 -2.581 -3.731) 4.551 5.124 ( 0.251 -1.486 -1.932) 2.450 5.129 ( -3.029 -1.358 0.384) 3.342 5.159 ( 1.144 -0.122 -0.697) 1.345 5.219 ( 0.255 1.835 3.303) 3.787 5.260 ( -2.059 0.172 3.084) 3.713 5.363 ( -1.885 -0.785 1.381) 2.465 5.390 ( -2.072 -2.104 0.342) 2.972 5.452 ( 0.639 -1.803 -1.107) 2.210 5.464 ( 2.408 -3.603 2.787) 5.152 5.489 ( -2.062 -2.934 -1.919) 4.067 5.544 ( -3.495 -1.649 -3.247) 5.047 5.602 ( 0.398 1.286 1.029) 1.694 5.630 ( -1.187 1.683 0.053) 2.060 5.743 ( -0.563 -0.971 2.515) 2.754 5.784 ( 0.337 -0.292 0.518) 0.683 5.849 ( 0.654 0.408 -0.778) 1.095 5.863 ( 3.269 -0.334 -1.602) 3.656 6.095 ( -4.239 -0.440 -0.817) 4.339 6.131 ( 7.242 -1.801 -3.430) 8.213 6.287 ( -2.804 -0.294 1.283) 3.097 6.295 ( 0.670 -0.176 0.511) 0.861 6.604 ( 0.648 1.065 0.333) 1.290 6.615 ( -0.687 0.727 -0.511) 1.123 6.729 ( 0.997 -0.079 0.335) 1.055 6.733 ( -1.246 -0.376 0.006) 1.301 7.817 ( 0.567 -1.034 0.389) 1.242 7.827 ( -0.760 -1.096 -0.476) 1.416 7.841 ( 0.015 -0.199 0.387) 0.435 7.850 ( 0.169 -0.004 -0.289) 0.335 7.922 ( 0.533 -2.848 0.275) 2.911 7.929 ( -0.569 -2.708 -0.270) 2.781 7.951 ( 0.109 -2.538 0.445) 2.579 7.961 ( -0.047 -2.120 -0.386) 2.155 8.874 ( 0.068 -0.209 0.229) 0.317 8.883 ( -0.073 -0.157 -0.467) 0.498 8.931 ( 0.097 -2.095 0.991) 2.320 8.954 ( -0.157 -2.352 -0.854) 2.507 9.117 ( 0.945 4.419 1.446) 4.745 9.146 ( -0.956 4.094 -0.863) 4.292 9.193 ( 0.024 4.128 1.503) 4.393 9.222 ( -0.117 4.276 -0.813) 4.354 9.279 ( -0.434 3.762 0.564) 3.829 9.295 ( 0.477 3.079 -0.615) 3.176 9.420 ( 0.074 2.227 1.114) 2.491 9.443 ( -0.125 2.030 -0.704) 2.152 9.617 ( -1.064 -0.645 2.132) 2.469 9.664 ( 1.370 -3.991 1.172) 4.380 9.677 ( 3.003 -2.689 -2.243) 4.613 9.689 ( -2.947 -4.282 -0.831) 5.264 9.840 ( 0.742 1.559 0.841) 1.921 9.861 ( -1.579 0.576 -0.641) 1.799 9.871 ( 0.687 -0.973 0.328) 1.235 9.887 ( -0.297 -2.420 -0.963) 2.621 10.026 ( 0.370 0.439 -0.131) 0.589 10.036 ( 0.504 1.831 -0.909) 2.106 10.168 ( -0.456 -0.855 2.171) 2.377 10.221 ( 0.255 -2.008 -1.805) 2.712 10.259 ( -0.121 2.769 0.637) 2.844 10.289 ( -0.617 0.502 -1.498) 1.696 10.359 ( -0.645 1.920 1.130) 2.320 10.379 ( 1.301 2.937 -0.465) 3.245 10.562 ( -0.374 4.675 0.582) 4.726 10.595 ( 0.402 3.550 -2.219) 4.206 10.681 ( 1.701 3.786 0.965) 4.262 10.709 ( -2.220 3.021 -1.155) 3.923 10.793 ( -0.745 3.544 1.758) 4.025 10.828 ( 0.979 3.482 -0.179) 3.621 10.864 ( 1.551 3.503 1.148) 3.999 10.900 ( -1.756 1.317 -1.344) 2.574 11.124 ( 0.269 2.546 1.312) 2.876 11.161 ( -0.913 -0.136 -0.990) 1.353 11.192 ( 1.146 -1.266 0.010) 1.708 11.226 ( -0.421 -2.600 -1.948) 3.276======================= Grid point 59 (27/35) =======================q-point: (-0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( -6.887 16.023 7.259) 18.891 1.133 ( -6.075 10.810 3.255) 12.820 1.249 ( -6.800 6.088 -3.195) 9.670 1.303 ( -5.748 7.944 -6.543) 11.788 1.373 ( -1.486 5.865 1.054) 6.142 1.440 ( 5.866 6.576 0.019) 8.813 1.546 ( 6.984 9.680 1.711) 12.059 1.629 ( 2.936 5.655 2.009) 6.681 1.680 ( 4.506 14.381 2.201) 15.230 1.704 ( 0.344 8.946 -0.266) 8.957 1.754 ( -0.072 1.911 -0.437) 1.962 1.820 ( 1.586 2.759 -3.319) 4.598 1.909 ( 5.890 5.382 0.627) 8.003 1.942 ( -2.462 5.294 0.998) 5.923 2.035 ( -1.436 1.939 0.616) 2.490 2.118 ( -2.946 -0.866 -2.071) 3.704 2.188 ( -6.360 -0.210 1.173) 6.471 2.218 ( -6.714 1.817 -2.459) 7.377 2.229 ( -0.315 0.613 0.236) 0.729 2.271 ( -0.337 -2.150 0.469) 2.226 2.295 ( -4.299 2.437 1.320) 5.115 2.359 ( -0.383 0.844 -0.404) 1.011 2.419 ( -4.663 -0.759 -0.070) 4.725 2.446 ( -1.364 -2.689 4.009) 5.016 2.491 ( -1.578 0.927 -0.325) 1.859 2.524 ( -0.937 -2.935 -0.886) 3.205 2.583 ( -0.248 -0.117 -1.484) 1.509 2.620 ( 1.793 1.098 -0.788) 2.246 2.646 ( -2.217 -1.208 0.094) 2.527 2.673 ( 3.179 0.824 2.779) 4.302 2.715 ( 0.348 -2.618 0.297) 2.658 2.752 ( 2.576 1.781 -1.775) 3.600 2.782 ( -1.254 0.758 -1.949) 2.439 2.811 ( 1.211 -0.429 -1.529) 1.997 2.823 ( 0.671 4.638 1.192) 4.835 2.905 ( 2.919 -1.041 -2.031) 3.705 2.937 ( 1.172 -1.833 1.960) 2.929 2.966 ( 1.791 0.481 -0.478) 1.915 2.995 ( -0.685 2.750 0.287) 2.848 3.010 ( 1.334 -2.695 2.937) 4.204 3.039 ( -2.374 -0.167 2.056) 3.145 3.073 ( -1.703 -3.145 -0.737) 3.652 3.125 ( 4.287 3.853 -1.017) 5.853 3.149 ( 0.886 -1.012 0.004) 1.345 3.179 ( 1.142 -8.112 2.029) 8.439 3.222 ( -1.449 0.939 -2.190) 2.789 3.234 ( 0.444 -0.399 -1.883) 1.975 3.257 ( -0.206 -2.678 2.649) 3.772 3.293 ( -1.618 -1.785 -2.430) 3.422 3.314 ( -0.127 -2.611 -1.582) 3.055 3.345 ( -1.811 -2.783 -3.200) 4.611 3.360 ( 4.229 1.741 0.021) 4.573 3.396 ( 3.433 -2.240 -1.049) 4.231 3.429 ( -0.094 -1.632 -1.677) 2.342 3.465 ( 4.078 0.681 -0.476) 4.162 3.509 ( -1.737 0.004 1.643) 2.391 3.518 ( -2.229 1.004 -0.717) 2.548 3.548 ( 1.535 -2.150 3.143) 4.106 3.572 ( 3.298 1.994 1.228) 4.045 3.604 ( 3.068 -1.870 1.048) 3.743 3.679 ( 1.590 1.175 0.881) 2.164 3.717 ( 2.677 -0.670 -1.571) 3.176 3.735 ( -3.614 0.576 -4.786) 6.025 3.775 ( 2.387 -1.769 -1.522) 3.339 3.805 ( -0.659 -1.258 -0.378) 1.470 3.828 ( -1.233 -0.276 -2.829) 3.098 3.841 ( -1.089 -1.011 2.922) 3.278 3.878 ( 0.474 -2.933 0.794) 3.075 3.909 ( 4.646 -1.909 3.428) 6.081 3.944 ( -1.198 -0.325 0.782) 1.467 3.985 ( 0.450 0.001 1.875) 1.929 4.022 ( -2.947 -1.609 -0.946) 3.489 4.043 ( 2.483 -2.157 1.669) 3.688 4.092 ( 1.472 -1.664 1.334) 2.591 4.152 ( 0.587 -1.938 -0.598) 2.111 4.159 ( -2.725 -1.543 -0.235) 3.141 4.202 ( 2.759 0.408 -2.361) 3.654 4.226 ( 0.095 -3.815 1.352) 4.048 4.233 ( 1.488 0.085 1.097) 1.851 4.298 ( 2.093 -2.659 0.856) 3.491 4.307 ( 1.619 2.552 -4.544) 5.458 4.399 ( 4.390 0.613 -3.527) 5.665 4.423 ( 0.253 0.222 -0.932) 0.991 4.461 ( -1.268 0.821 0.760) 1.691 4.509 ( 2.929 -1.181 0.479) 3.194 4.588 ( -2.131 -0.872 -0.859) 2.457 4.618 ( 0.534 0.645 -2.671) 2.799 4.655 ( 2.337 -0.882 -0.864) 2.643 4.761 ( -4.200 0.091 0.107) 4.202 4.830 ( 0.415 3.597 1.817) 4.051 4.864 ( -2.266 0.695 2.577) 3.502 4.935 ( -5.085 0.160 0.899) 5.166 4.970 ( -2.139 1.817 -0.100) 2.808 5.019 ( -2.328 -2.162 -2.127) 3.824 5.071 ( -0.446 -1.112 -1.935) 2.277 5.104 ( 1.212 -0.127 2.167) 2.486 5.137 ( -1.308 -1.308 -3.278) 3.764 5.172 ( 1.911 -0.758 2.151) 2.975 5.226 ( -0.270 2.421 -0.257) 2.449 5.260 ( 1.024 -0.598 5.003) 5.142 5.345 ( -0.628 -0.417 2.581) 2.689 5.357 ( 1.491 -0.585 5.052) 5.300 5.443 ( -1.323 -2.780 -0.463) 3.113 5.457 ( -0.736 -2.920 1.187) 3.237 5.486 ( -0.251 -2.074 0.814) 2.242 5.512 ( -0.910 -2.561 -1.270) 3.000 5.566 ( -2.387 -0.052 0.824) 2.526 5.629 ( 0.701 0.596 0.802) 1.221 5.735 ( -1.117 -0.633 0.749) 1.487 5.792 ( 0.135 -1.737 -1.957) 2.620 5.840 ( -1.092 -1.239 -1.739) 2.399 5.858 ( -1.953 -1.828 0.276) 2.689 6.116 ( 4.790 1.393 -4.804) 6.925 6.186 ( -3.902 -0.531 2.889) 4.884 6.275 ( 3.762 -0.572 -1.828) 4.221 6.307 ( 0.105 -0.504 1.367) 1.461 6.606 ( -0.407 1.175 0.716) 1.435 6.611 ( 0.152 0.950 -0.779) 1.238 6.729 ( 1.010 -0.386 -1.071) 1.522 6.739 ( -0.231 -0.364 1.125) 1.205 7.809 ( -0.738 -0.670 0.406) 1.076 7.813 ( -0.635 -0.561 -0.467) 0.967 7.857 ( 1.205 -0.272 0.158) 1.246 7.862 ( 0.592 -1.014 -0.017) 1.174 7.912 ( -0.583 -2.347 0.019) 2.419 7.941 ( 0.464 -2.139 0.684) 2.293 7.941 ( -0.494 -2.517 -0.546) 2.622 7.962 ( 0.060 -2.209 -0.180) 2.217 8.865 ( -0.855 0.060 0.168) 0.873 8.873 ( -0.911 -0.123 -0.385) 0.997 8.920 ( -0.949 -1.556 0.873) 2.021 8.937 ( -1.267 -1.423 -0.726) 2.039 9.100 ( -1.308 5.192 0.824) 5.418 9.134 ( -1.540 5.788 -0.216) 5.994 9.189 ( 0.866 1.854 1.309) 2.429 9.234 ( 0.203 1.888 -0.530) 1.971 9.273 ( -0.157 3.813 0.048) 3.817 9.291 ( -0.820 2.520 -0.215) 2.659 9.429 ( 1.312 2.420 1.473) 3.122 9.458 ( 1.862 1.698 -0.862) 2.663 9.562 ( -3.456 0.487 1.115) 3.664 9.612 ( -4.427 -2.437 -1.136) 5.179 9.711 ( 1.936 -2.793 1.258) 3.624 9.734 ( 1.493 -1.468 -1.437) 2.540 9.799 ( -0.758 -1.077 -0.142) 1.325 9.826 ( -0.524 -0.514 -0.143) 0.748 9.888 ( -0.592 -0.907 0.901) 1.409 9.938 ( 0.906 -1.404 -1.009) 1.952 9.994 ( -1.336 -0.171 1.141) 1.765 10.056 ( 2.157 2.001 -2.586) 3.917 10.178 ( 0.202 0.237 0.868) 0.922 10.213 ( -1.315 4.168 -0.424) 4.391 10.227 ( -3.331 1.989 -0.462) 3.907 10.253 ( -0.119 -1.661 0.115) 1.669 10.352 ( -0.076 0.357 1.222) 1.276 10.409 ( 0.325 -0.544 -1.808) 1.916 10.584 ( 1.913 5.514 -0.120) 5.838 10.604 ( 0.175 5.090 -0.953) 5.182 10.689 ( 0.915 3.092 -0.850) 3.334 10.726 ( 2.421 4.545 1.392) 5.335 10.767 ( -0.984 5.335 0.907) 5.500 10.841 ( -1.174 5.442 -0.283) 5.575 10.892 ( 2.212 0.145 -0.518) 2.277 10.902 ( 1.090 -1.082 0.823) 1.743 11.136 ( 0.829 2.472 1.227) 2.882 11.153 ( 0.247 -0.517 0.105) 0.583 11.204 ( -0.026 -0.160 -1.250) 1.260 11.218 ( -0.373 -2.456 -2.039) 3.214======================= Grid point 60 (28/35) =======================q-point: ( 0.00 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( -3.363 10.769 7.220) 13.395 1.288 ( -1.195 8.532 2.902) 9.091 1.304 ( -0.055 11.228 3.048) 11.634 1.399 ( 4.170 4.976 -5.993) 8.835 1.497 ( 2.472 6.993 -2.375) 7.788 1.546 ( 0.720 1.746 -4.662) 5.030 1.714 ( -1.786 2.608 0.335) 3.179 1.744 ( 0.888 2.148 -1.790) 2.934 1.820 ( -4.397 3.431 2.916) 6.294 1.845 ( -0.383 -1.662 3.373) 3.779 1.876 ( 5.060 4.536 -1.125) 6.888 1.911 ( -2.825 -4.529 -1.162) 5.463 1.954 ( 1.384 1.751 0.551) 2.299 1.972 ( -3.038 3.830 -0.977) 4.985 2.076 ( -3.235 4.182 1.155) 5.411 2.116 ( -0.702 -0.254 -1.143) 1.365 2.152 ( 1.871 5.394 1.492) 5.901 2.166 ( 2.090 4.976 0.963) 5.482 2.264 ( 0.073 -0.105 3.268) 3.270 2.311 ( 1.239 5.373 1.175) 5.638 2.328 ( 0.566 0.484 0.760) 1.064 2.346 ( -0.597 5.287 -2.401) 5.837 2.395 ( 0.026 -0.749 -1.384) 1.574 2.426 ( 1.542 -1.337 0.909) 2.234 2.450 ( 1.148 -3.736 -2.481) 4.630 2.460 ( -0.251 0.535 -3.006) 3.063 2.523 ( -1.949 -4.089 1.611) 4.807 2.565 ( 0.325 -3.013 -1.452) 3.361 2.619 ( -0.873 -2.077 -0.457) 2.299 2.664 ( -0.010 -0.550 -2.908) 2.960 2.723 ( -2.079 1.567 2.620) 3.693 2.750 ( 0.200 0.625 0.363) 0.750 2.807 ( -1.556 0.048 2.953) 3.338 2.830 ( 0.648 -2.143 1.367) 2.623 2.850 ( -0.468 -1.118 -0.950) 1.541 2.890 ( 0.591 -1.409 0.813) 1.731 2.927 ( 1.253 -0.081 -0.730) 1.452 2.938 ( 0.953 -3.307 2.071) 4.017 2.956 ( 0.515 -4.229 -1.565) 4.539 2.995 ( 0.310 -4.088 -0.225) 4.106 3.039 ( 0.391 -0.353 1.844) 1.918 3.069 ( 1.004 -1.553 0.868) 2.043 3.119 ( 1.930 0.678 -3.054) 3.676 3.152 ( 0.491 1.061 0.475) 1.262 3.192 ( 2.174 3.845 2.412) 5.032 3.196 ( -2.211 0.089 -3.939) 4.518 3.235 ( -0.492 0.783 -5.709) 5.784 3.263 ( -0.644 1.558 0.487) 1.754 3.288 ( -1.370 0.771 -0.406) 1.624 3.295 ( -0.666 3.538 -4.404) 5.688 3.339 ( 0.937 2.072 3.074) 3.824 3.386 ( 1.819 -0.790 1.653) 2.582 3.420 ( -0.490 1.256 -1.518) 2.030 3.442 ( 0.707 0.083 -0.764) 1.044 3.470 ( 1.809 1.143 4.155) 4.674 3.492 ( 0.153 -1.119 1.714) 2.052 3.530 ( -1.560 -2.005 -0.418) 2.574 3.592 ( -0.944 2.068 -2.715) 3.541 3.609 ( -0.084 -1.893 -2.437) 3.087 3.635 ( -2.601 1.335 -0.205) 2.931 3.654 ( -0.547 -4.102 2.242) 4.707 3.696 ( 1.057 2.479 -1.065) 2.898 3.743 ( -3.838 -3.304 1.412) 5.258 3.758 ( 1.304 -0.234 -3.414) 3.662 3.764 ( 0.187 -0.191 0.947) 0.984 3.802 ( -1.906 1.060 1.518) 2.657 3.839 ( 5.174 0.820 0.683) 5.283 3.867 ( -3.178 -2.330 -0.581) 3.983 3.894 ( 0.046 -1.936 1.425) 2.404 3.915 ( 0.964 -0.286 -1.924) 2.170 3.951 ( 1.176 -1.978 3.037) 3.810 3.979 ( -1.880 -3.416 3.082) 4.970 4.028 ( 1.086 -2.964 2.186) 3.840 4.049 ( -0.098 -4.323 -0.875) 4.412 4.118 ( -1.633 1.618 -0.654) 2.390 4.157 ( 2.564 -1.697 -2.265) 3.819 4.162 ( 1.134 -1.196 0.427) 1.702 4.224 ( -2.618 -2.545 4.710) 5.960 4.280 ( 1.619 2.506 -5.086) 5.897 4.322 ( 0.099 3.225 -1.330) 3.490 4.388 ( 1.556 -1.108 -2.024) 2.783 4.435 ( -0.047 2.370 -2.335) 3.327 4.486 ( -3.637 4.979 3.776) 7.230 4.533 ( 0.619 -0.709 2.104) 2.305 4.558 ( 3.600 2.354 0.508) 4.331 4.590 ( 3.921 -1.919 -0.289) 4.375 4.637 ( -0.321 -0.582 -0.208) 0.697 4.644 ( -3.208 1.123 0.649) 3.461 4.686 ( -0.131 2.653 -1.268) 2.943 4.779 ( -4.710 -0.430 -4.003) 6.196 4.815 ( -0.961 1.691 2.708) 3.334 4.901 ( 0.248 -2.751 -0.333) 2.783 4.933 ( 0.406 0.204 -1.855) 1.910 4.983 ( -1.763 2.417 -2.685) 4.019 5.036 ( -1.469 -0.392 -0.512) 1.604 5.076 ( -0.135 -1.900 -2.497) 3.141 5.135 ( 0.610 -0.563 0.105) 0.836 5.167 ( 0.121 -1.546 -1.125) 1.916 5.229 ( 0.564 -4.171 2.439) 4.864 5.273 ( -0.585 -3.336 -0.025) 3.387 5.327 ( -0.452 -0.924 2.919) 3.094 5.369 ( -0.606 -1.254 2.232) 2.631 5.419 ( 3.884 0.383 1.107) 4.057 5.425 ( 0.839 -2.280 1.392) 2.800 5.450 ( 0.587 -0.531 1.888) 2.047 5.486 ( 4.944 0.198 -1.118) 5.073 5.552 ( 1.897 0.414 3.295) 3.824 5.599 ( -1.631 -1.372 -0.690) 2.241 5.727 ( -1.071 1.642 0.031) 1.961 5.760 ( -1.401 -0.046 -1.403) 1.983 5.796 ( 0.755 -1.307 -0.862) 1.739 5.799 ( -2.103 -1.375 -1.019) 2.711 6.130 ( -3.279 2.096 3.167) 5.018 6.194 ( 0.676 -0.798 -1.421) 1.765 6.295 ( -0.205 0.398 -0.042) 0.449 6.318 ( 1.471 -0.585 -1.390) 2.107 6.621 ( -0.361 1.290 0.539) 1.444 6.638 ( 0.462 0.534 -0.777) 1.050 6.722 ( -0.603 0.157 0.558) 0.836 6.740 ( 0.756 -0.711 -0.827) 1.327 7.797 ( -0.151 0.399 0.244) 0.492 7.804 ( -0.013 0.113 -0.358) 0.375 7.841 ( 0.499 -1.275 0.617) 1.501 7.852 ( -0.266 -1.516 -0.252) 1.559 7.885 ( 0.395 -0.900 0.296) 1.026 7.894 ( -0.758 -1.142 -0.451) 1.443 7.911 ( 0.190 -1.937 0.422) 1.992 7.922 ( 0.094 -2.036 -0.417) 2.081 8.852 ( -0.041 -0.094 0.206) 0.230 8.860 ( -0.031 -0.099 -0.432) 0.444 8.889 ( 0.120 -1.126 0.558) 1.262 8.900 ( -0.022 -1.378 -0.414) 1.439 9.175 ( -0.438 3.180 1.437) 3.517 9.196 ( 0.095 1.563 0.462) 1.633 9.224 ( -0.214 2.020 0.200) 2.041 9.249 ( 0.667 0.056 -1.183) 1.359 9.339 ( -0.160 4.594 0.401) 4.614 9.349 ( 0.195 5.065 -0.379) 5.083 9.469 ( -0.095 -0.893 1.047) 1.380 9.488 ( 0.265 -1.980 -0.482) 2.055 9.551 ( -0.201 2.865 0.615) 2.937 9.565 ( -0.137 2.649 -0.494) 2.698 9.685 ( -0.112 -2.830 1.068) 3.027 9.717 ( 0.099 -2.758 -1.332) 3.065 9.788 ( 0.326 -2.182 -0.038) 2.206 9.798 ( -0.475 -1.962 -0.766) 2.159 9.827 ( 0.097 -2.211 0.828) 2.363 9.842 ( 0.046 -2.387 -0.235) 2.399 10.060 ( 0.396 3.569 3.629) 5.105 10.150 ( -1.906 2.859 -2.776) 4.417 10.162 ( 1.125 -0.874 1.272) 1.910 10.196 ( 0.763 0.993 -0.862) 1.520 10.276 ( 0.714 2.625 0.683) 2.805 10.302 ( -0.639 2.002 -1.183) 2.411 10.323 ( -0.703 -0.832 0.505) 1.200 10.349 ( -0.042 -2.618 -1.529) 3.032 10.671 ( 0.387 1.609 0.534) 1.739 10.686 ( -0.176 3.392 -0.738) 3.475 10.777 ( 0.701 -2.299 1.778) 2.989 10.807 ( -2.318 0.607 -0.369) 2.425 10.827 ( 0.699 3.437 1.675) 3.886 10.871 ( 2.484 -0.836 -0.985) 2.800 10.893 ( -0.704 3.310 0.382) 3.405 10.927 ( -0.637 1.978 -1.429) 2.522 11.172 ( -0.123 2.049 1.529) 2.559 11.190 ( -0.105 1.336 0.399) 1.398 11.215 ( 0.098 1.616 -1.796) 2.418 11.220 ( 0.019 1.317 -1.920) 2.328======================= Grid point 61 (29/35) =======================q-point: ( 0.25 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( 3.444 9.255 3.636) 10.523 1.286 ( 0.703 4.602 2.260) 5.175 1.361 ( 4.650 12.212 1.129) 13.116 1.499 ( 3.308 2.810 -2.955) 5.251 1.508 ( 1.560 8.054 -5.413) 9.829 1.623 ( 2.787 2.562 -4.217) 5.667 1.670 ( -0.842 1.890 1.150) 2.367 1.719 ( -6.497 5.238 -0.203) 8.348 1.749 ( -1.294 1.715 0.650) 2.245 1.771 ( -5.264 2.925 0.683) 6.060 1.889 ( 0.252 -2.699 3.062) 4.089 1.896 ( -1.385 5.644 1.921) 6.121 1.944 ( 1.706 8.969 1.658) 9.279 1.984 ( 5.027 -3.139 -1.982) 6.249 2.076 ( 0.907 9.116 2.328) 9.452 2.140 ( 1.903 -1.925 -0.007) 2.707 2.162 ( -2.403 1.560 -0.863) 2.993 2.194 ( -0.835 1.615 0.980) 2.065 2.230 ( 1.031 0.656 0.865) 1.497 2.334 ( -1.139 -2.258 -0.574) 2.593 2.338 ( 0.644 -1.903 4.660) 5.075 2.391 ( 2.413 2.695 -2.464) 4.377 2.417 ( 1.508 -0.476 -0.309) 1.611 2.433 ( 1.101 2.900 -2.614) 4.056 2.500 ( 2.408 0.356 -1.850) 3.058 2.511 ( 4.665 -2.339 -0.971) 5.308 2.531 ( 2.764 -1.123 0.479) 3.021 2.587 ( 1.457 -0.983 -1.294) 2.182 2.609 ( 0.143 -1.823 -0.527) 1.903 2.654 ( -1.426 -2.763 -0.031) 3.110 2.685 ( 0.162 0.377 2.137) 2.176 2.739 ( -1.267 1.399 4.139) 4.550 2.794 ( -0.055 -0.685 3.623) 3.687 2.812 ( -0.690 -0.103 -1.068) 1.276 2.846 ( 0.280 2.024 0.525) 2.109 2.890 ( -1.104 0.352 -0.584) 1.297 2.952 ( 0.457 -2.994 -0.052) 3.029 2.972 ( 2.385 -5.327 0.403) 5.850 2.980 ( -0.802 -4.351 -2.113) 4.903 3.018 ( 3.522 -2.740 -0.825) 4.538 3.044 ( 1.255 -0.612 1.140) 1.803 3.079 ( -4.338 -2.252 -1.484) 5.108 3.134 ( 0.358 1.575 -2.557) 3.024 3.158 ( 2.240 1.962 1.400) 3.291 3.180 ( -2.091 0.348 -1.254) 2.463 3.208 ( -0.094 1.464 1.273) 1.943 3.224 ( -0.776 3.324 0.198) 3.419 3.247 ( -1.635 5.066 -1.890) 5.649 3.264 ( -0.315 2.016 -1.994) 2.853 3.289 ( 0.334 -1.050 0.341) 1.153 3.327 ( -1.387 1.541 -1.754) 2.715 3.367 ( -2.806 -0.214 -0.657) 2.890 3.404 ( -1.922 0.264 -4.722) 5.105 3.424 ( 0.595 -0.212 0.514) 0.814 3.446 ( -2.664 -1.896 0.525) 3.311 3.501 ( 0.423 0.284 0.941) 1.070 3.516 ( -0.439 1.492 3.825) 4.129 3.537 ( -1.679 -0.004 1.350) 2.154 3.592 ( -3.176 -0.786 -1.004) 3.423 3.622 ( -0.243 -0.061 0.102) 0.270 3.645 ( -2.854 -2.854 -2.544) 4.771 3.679 ( -0.727 -0.339 2.116) 2.263 3.709 ( 1.350 0.091 0.930) 1.643 3.733 ( -1.489 -1.266 -1.184) 2.285 3.776 ( -1.945 2.792 0.669) 3.468 3.811 ( 0.337 -0.783 -0.831) 1.191 3.847 ( 1.764 -1.195 -0.392) 2.166 3.880 ( -1.151 -0.525 0.065) 1.266 3.890 ( -0.169 -1.234 0.248) 1.270 3.913 ( 0.073 -2.076 1.918) 2.827 3.975 ( 2.878 -2.321 -1.804) 4.114 3.988 ( 1.417 -2.026 1.389) 2.836 4.032 ( -1.296 -2.091 2.056) 3.206 4.071 ( 2.892 -3.071 -2.282) 4.796 4.091 ( -1.322 -2.384 1.604) 3.163 4.113 ( -2.306 -0.972 0.864) 2.647 4.192 ( -0.801 -1.369 0.693) 1.731 4.242 ( 4.173 -1.238 0.834) 4.432 4.275 ( -3.500 3.078 1.375) 4.860 4.286 ( -1.457 3.297 -3.128) 4.773 4.357 ( -5.271 1.601 1.540) 5.720 4.371 ( -5.228 5.244 -3.759) 8.304 4.439 ( -0.586 0.231 -5.568) 5.603 4.475 ( -3.456 0.866 -1.808) 3.996 4.532 ( -2.396 -4.060 -2.120) 5.169 4.580 ( -4.533 -1.916 0.599) 4.957 4.596 ( -2.179 1.945 1.648) 3.354 4.648 ( 0.291 0.999 -5.026) 5.132 4.726 ( 5.479 -0.176 6.624) 8.598 4.825 ( 5.571 -0.201 -0.005) 5.575 4.871 ( 5.178 1.819 5.227) 7.580 4.915 ( 1.232 -1.205 0.295) 1.748 4.959 ( 0.803 4.092 -0.378) 4.187 5.000 ( 1.456 0.887 -0.193) 1.716 5.047 ( 2.587 -2.193 -0.132) 3.395 5.082 ( 0.616 -2.057 -1.450) 2.591 5.131 ( -1.016 -1.934 -0.771) 2.317 5.153 ( -1.664 -1.086 -1.467) 2.470 5.230 ( -0.212 -0.482 2.114) 2.179 5.269 ( 0.592 -4.787 0.994) 4.925 5.315 ( 0.105 -0.904 5.267) 5.345 5.361 ( -0.138 -2.240 1.976) 2.990 5.394 ( -2.838 -1.867 1.672) 3.786 5.412 ( -0.978 -2.505 -0.757) 2.794 5.520 ( 1.346 1.602 -4.285) 4.769 5.570 ( 0.437 -0.752 -7.424) 7.475 5.605 ( 3.846 1.580 1.096) 4.300 5.629 ( 1.810 0.898 2.618) 3.307 5.737 ( 3.610 -0.521 1.117) 3.815 5.749 ( 0.553 -0.668 2.826) 2.956 5.774 ( 0.564 0.335 -0.695) 0.956 5.834 ( 2.771 -1.435 -1.226) 3.353 6.069 ( -2.065 2.467 0.941) 3.352 6.162 ( -3.695 -2.082 0.162) 4.245 6.290 ( -0.257 0.892 -0.681) 1.151 6.321 ( -1.057 -0.622 -0.429) 1.299 6.618 ( 0.094 1.234 0.218) 1.257 6.638 ( -0.429 0.233 -0.347) 0.599 6.719 ( 0.303 0.565 -0.007) 0.642 6.744 ( -0.454 -0.735 -0.243) 0.897 7.797 ( 0.194 0.058 0.297) 0.360 7.808 ( 0.279 -0.062 -0.188) 0.342 7.837 ( -0.756 -1.663 -0.113) 1.830 7.851 ( 0.004 -0.619 0.217) 0.656 7.874 ( -0.698 -1.635 -0.031) 1.778 7.897 ( 0.509 -0.857 0.353) 1.057 7.906 ( -0.564 -2.176 0.063) 2.249 7.924 ( 0.086 -1.773 -0.502) 1.845 8.858 ( 0.507 -0.305 0.261) 0.646 8.866 ( 0.547 -0.426 -0.374) 0.787 8.894 ( 0.286 -1.240 0.556) 1.389 8.906 ( 0.438 -1.717 -0.557) 1.857 9.176 ( 0.634 3.368 1.098) 3.599 9.209 ( 0.505 1.075 1.076) 1.603 9.234 ( 1.411 2.847 -0.352) 3.196 9.271 ( 1.118 0.435 -0.848) 1.469 9.344 ( 0.503 4.044 0.354) 4.091 9.360 ( 0.612 4.882 -0.409) 4.937 9.449 ( -1.004 0.029 0.888) 1.341 9.477 ( -0.759 -0.316 -0.397) 0.913 9.572 ( 1.548 0.618 0.600) 1.772 9.582 ( 1.410 0.212 -0.331) 1.464 9.653 ( -2.778 -2.901 0.898) 4.116 9.687 ( -3.010 -3.907 -1.134) 5.061 9.786 ( 2.151 -0.014 -0.181) 2.158 9.817 ( 1.938 0.297 0.363) 1.994 9.868 ( 3.072 -2.392 -1.048) 4.032 9.898 ( 2.569 -1.690 0.604) 3.133 10.025 ( -2.106 2.925 2.996) 4.687 10.085 ( -3.109 2.132 -2.198) 4.363 10.158 ( -1.885 -2.941 1.194) 3.691 10.190 ( -3.650 -2.443 -0.798) 4.464 10.300 ( 2.890 3.871 -0.474) 4.854 10.307 ( 2.653 3.180 -0.478) 4.169 10.352 ( 2.448 0.112 1.147) 2.706 10.380 ( 1.620 -0.737 -1.153) 2.121 10.668 ( -1.173 2.352 -0.196) 2.635 10.679 ( -0.571 3.004 -0.217) 3.065 10.731 ( -3.067 0.386 0.098) 3.092 10.758 ( -2.337 -1.517 1.264) 3.059 10.856 ( 1.790 3.940 0.982) 4.438 10.879 ( -0.493 3.035 -0.078) 3.076 10.915 ( 0.218 0.603 -0.815) 1.037 10.930 ( 1.384 1.053 -0.755) 1.896 11.158 ( -0.863 1.945 1.049) 2.372 11.177 ( -0.856 1.381 0.150) 1.632 11.206 ( -0.845 1.209 -1.328) 1.985 11.215 ( -0.549 0.410 -1.494) 1.643======================= Grid point 62 (30/35) =======================q-point: (-0.50 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 1.229 5.028 0.495) 5.200 1.321 ( 4.447 4.581 -2.739) 6.947 1.428 ( -0.514 7.550 2.590) 7.998 1.465 ( -4.203 6.972 0.456) 8.153 1.519 ( -5.120 9.528 -0.554) 10.831 1.579 ( 2.664 6.710 -4.371) 8.439 1.626 ( -4.606 0.706 1.587) 4.922 1.676 ( 2.064 1.823 -1.620) 3.195 1.748 ( 1.913 5.262 -0.714) 5.645 1.786 ( 2.675 4.374 -1.085) 5.241 1.839 ( 0.056 5.261 4.438) 6.883 1.949 ( 1.244 -4.072 -0.657) 4.309 2.034 ( 0.546 4.442 -2.400) 5.078 2.042 ( -2.256 5.353 1.392) 5.974 2.062 ( 1.276 -0.598 -0.624) 1.542 2.100 ( 2.668 8.754 0.535) 9.167 2.185 ( -0.458 1.006 1.081) 1.546 2.200 ( 2.832 1.015 -0.362) 3.030 2.248 ( 0.612 -3.192 2.316) 3.991 2.304 ( -1.901 -3.229 0.648) 3.803 2.333 ( -2.461 -1.095 3.279) 4.244 2.372 ( -2.617 1.780 2.365) 3.951 2.408 ( -0.702 0.936 -3.830) 4.005 2.464 ( 0.430 -2.963 -3.563) 4.654 2.528 ( -1.690 1.561 0.488) 2.352 2.534 ( -0.771 -1.511 -0.437) 1.751 2.555 ( -2.200 -0.667 0.679) 2.397 2.603 ( 1.242 -0.824 -1.406) 2.049 2.645 ( 1.869 -1.033 1.396) 2.551 2.668 ( 2.321 -3.675 1.321) 4.543 2.724 ( 0.297 1.866 3.972) 4.399 2.749 ( 4.728 -0.919 4.191) 6.384 2.809 ( 2.814 -0.495 -0.844) 2.979 2.831 ( -2.233 0.269 1.289) 2.592 2.840 ( 0.742 4.061 -0.039) 4.129 2.875 ( -0.643 -0.987 -1.777) 2.132 2.899 ( -4.054 -0.862 -0.235) 4.151 2.967 ( -0.611 -2.615 -1.242) 2.959 2.977 ( -0.405 -2.279 1.579) 2.802 2.996 ( -2.595 -5.043 -1.589) 5.890 3.057 ( 0.105 0.044 1.718) 1.722 3.074 ( -0.450 -1.748 -0.026) 1.805 3.099 ( -1.741 0.282 -0.110) 1.767 3.124 ( -3.835 0.315 -2.036) 4.354 3.165 ( 2.304 3.941 1.208) 4.722 3.198 ( 0.052 -0.338 0.360) 0.497 3.229 ( 2.241 -1.059 0.592) 2.548 3.254 ( -0.024 0.812 -3.032) 3.139 3.274 ( -2.382 2.715 0.116) 3.614 3.289 ( 2.577 1.330 -1.392) 3.217 3.334 ( 3.465 3.754 1.694) 5.382 3.368 ( -3.460 0.017 0.626) 3.516 3.373 ( 1.271 0.442 -1.644) 2.124 3.424 ( -1.343 -0.977 -4.044) 4.372 3.473 ( -0.242 -2.565 1.070) 2.789 3.486 ( 2.319 3.243 -0.393) 4.007 3.505 ( 2.723 -1.718 -2.130) 3.861 3.521 ( -0.125 -2.234 0.252) 2.252 3.540 ( -0.501 4.009 -1.109) 4.190 3.591 ( -2.675 0.019 -0.502) 2.722 3.621 ( 1.318 1.021 0.535) 1.751 3.670 ( -0.580 -1.972 -1.821) 2.747 3.725 ( 2.543 -1.410 3.361) 4.444 3.737 ( -0.015 2.990 2.247) 3.740 3.764 ( 1.459 -1.022 -0.527) 1.857 3.781 ( -0.342 -2.660 -0.228) 2.692 3.846 ( -1.893 -1.767 -1.286) 2.891 3.855 ( -1.418 -1.505 -2.103) 2.949 3.911 ( -0.288 -1.388 2.065) 2.505 3.944 ( 1.143 0.420 1.788) 2.163 3.976 ( -0.943 -2.878 -1.493) 3.377 3.999 ( -0.765 -0.147 -1.108) 1.355 4.005 ( 0.163 -2.186 0.853) 2.352 4.089 ( 1.529 -1.311 -2.695) 3.365 4.111 ( -1.788 -3.480 0.971) 4.031 4.138 ( 1.438 -2.103 0.597) 2.617 4.191 ( 0.947 2.182 -0.668) 2.471 4.200 ( -0.859 3.413 -1.573) 3.855 4.234 ( -0.882 2.490 1.576) 3.076 4.261 ( -3.494 2.071 5.787) 7.069 4.313 ( 1.894 0.298 -3.350) 3.860 4.364 ( 3.853 -1.068 -2.969) 4.980 4.395 ( -2.001 -0.281 -2.727) 3.394 4.447 ( -0.677 1.761 -4.179) 4.585 4.499 ( -2.284 -3.077 0.200) 3.837 4.534 ( 2.443 -3.677 -2.267) 4.962 4.581 ( -0.703 0.550 1.521) 1.764 4.660 ( 0.678 1.057 -4.903) 5.062 4.811 ( 2.409 1.819 6.848) 7.484 4.902 ( -1.051 2.493 0.400) 2.735 4.924 ( 2.946 0.148 3.481) 4.563 4.936 ( -0.855 -0.624 1.693) 1.997 4.961 ( 1.347 0.052 4.439) 4.639 5.032 ( 1.135 0.349 -1.140) 1.646 5.061 ( -2.400 -2.499 -5.387) 6.405 5.070 ( 0.561 -3.604 -1.271) 3.863 5.117 ( -1.255 0.346 0.145) 1.310 5.142 ( 1.240 -1.160 -1.127) 2.038 5.248 ( 1.601 0.217 5.260) 5.503 5.265 ( -0.397 0.278 2.927) 2.966 5.341 ( 0.461 -1.479 3.044) 3.416 5.351 ( -1.197 -1.433 2.096) 2.807 5.366 ( 0.638 -4.177 2.262) 4.793 5.403 ( -0.155 -3.238 1.780) 3.698 5.483 ( -4.270 0.939 -6.831) 8.111 5.514 ( -3.797 -1.342 -5.167) 6.551 5.630 ( -0.089 1.470 1.596) 2.171 5.656 ( -0.304 0.784 0.319) 0.899 5.750 ( -0.442 1.203 3.484) 3.712 5.784 ( 1.018 0.022 2.406) 2.613 5.849 ( 2.883 -0.176 -2.217) 3.642 5.859 ( -0.692 -0.277 -1.840) 1.985 6.093 ( -1.019 0.086 -2.085) 2.323 6.106 ( 5.066 -0.872 -3.017) 5.960 6.283 ( -1.973 -0.104 1.413) 2.429 6.290 ( -0.181 -0.324 0.746) 0.833 6.624 ( 0.408 0.873 0.110) 0.970 6.629 ( -0.357 0.603 -0.289) 0.758 6.728 ( -0.021 -0.034 0.147) 0.153 6.729 ( -0.289 -0.093 0.109) 0.322 7.801 ( 0.110 -0.432 0.292) 0.533 7.809 ( -0.195 -0.469 -0.316) 0.598 7.834 ( 0.565 -1.021 0.492) 1.267 7.844 ( -0.537 -0.421 -0.260) 0.730 7.874 ( 0.597 -2.066 0.474) 2.202 7.888 ( -0.870 -1.532 -0.596) 1.860 7.909 ( 0.346 -1.513 0.591) 1.661 7.925 ( -0.008 -1.672 -0.599) 1.775 8.864 ( 0.030 -0.513 0.297) 0.594 8.874 ( 0.088 -0.628 -0.441) 0.773 8.895 ( -0.176 -1.432 0.659) 1.586 8.911 ( 0.027 -1.974 -0.619) 2.069 9.190 ( 0.441 3.078 1.328) 3.381 9.212 ( -0.028 2.494 -0.266) 2.508 9.252 ( -0.223 1.987 1.049) 2.258 9.279 ( -0.312 1.325 -0.929) 1.648 9.351 ( 0.110 3.923 0.482) 3.954 9.364 ( -0.164 4.212 -0.551) 4.251 9.445 ( 0.348 0.315 1.123) 1.218 9.467 ( -0.369 0.344 -0.608) 0.790 9.599 ( -0.642 -1.201 0.790) 1.574 9.607 ( 1.196 -2.094 0.643) 2.496 9.623 ( 2.366 -2.739 -0.804) 3.708 9.626 ( -2.766 -2.841 -0.754) 4.036 9.844 ( 1.779 0.035 0.348) 1.813 9.860 ( 0.057 -0.567 -0.525) 0.774 9.878 ( -3.827 1.920 0.408) 4.301 9.890 ( 1.818 1.775 -0.316) 2.560 10.029 ( 0.164 -0.145 1.326) 1.344 10.066 ( 0.411 1.132 -1.465) 1.896 10.106 ( -1.380 -4.236 2.029) 4.896 10.147 ( 1.225 -4.119 -1.038) 4.421 10.333 ( -0.133 3.306 -0.348) 3.327 10.340 ( -1.106 3.127 -0.897) 3.436 10.386 ( 0.567 1.305 1.051) 1.769 10.405 ( 1.010 0.430 -0.462) 1.190 10.641 ( -0.726 3.008 0.234) 3.103 10.653 ( -0.110 2.257 -0.825) 2.405 10.722 ( 1.250 0.376 0.812) 1.537 10.730 ( -0.650 -0.159 0.282) 0.726 10.861 ( -1.226 3.299 0.906) 3.634 10.893 ( 1.758 3.241 -0.502) 3.721 10.912 ( -0.441 0.989 0.193) 1.100 10.937 ( -0.628 1.866 -0.854) 2.146 11.153 ( 0.173 1.196 0.623) 1.359 11.171 ( 0.475 1.532 -0.003) 1.604 11.193 ( -0.298 0.344 -1.088) 1.179 11.205 ( -0.106 0.131 -1.210) 1.222======================= Grid point 64 (31/35) =======================q-point: (-0.25 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( -2.695 9.300 1.537) 9.804 1.315 ( -1.620 11.059 -0.475) 11.187 1.358 ( -4.476 5.102 3.784) 7.771 1.425 ( -6.405 5.314 -0.918) 8.374 1.445 ( 1.830 2.204 -2.634) 3.892 1.558 ( -0.461 5.721 0.332) 5.749 1.699 ( 1.864 2.367 -1.606) 3.414 1.719 ( 8.050 7.887 -0.434) 11.278 1.763 ( -1.110 0.448 -1.885) 2.233 1.842 ( 2.389 1.439 -1.203) 3.037 1.884 ( 0.041 8.594 1.730) 8.766 1.917 ( -1.131 -1.037 1.240) 1.973 1.961 ( 0.689 0.287 0.775) 1.076 2.009 ( -4.477 0.155 -2.968) 5.374 2.101 ( 0.919 9.493 0.332) 9.543 2.134 ( 0.730 6.058 1.244) 6.227 2.166 ( -4.717 -2.521 1.942) 5.690 2.181 ( -3.241 -3.429 0.371) 4.733 2.268 ( 1.858 3.865 -1.952) 4.712 2.284 ( 0.454 3.076 4.558) 5.518 2.321 ( 0.589 -0.365 -1.399) 1.561 2.344 ( 0.363 -1.827 0.134) 1.868 2.395 ( 0.705 -2.109 2.974) 3.714 2.451 ( -2.551 0.420 -2.268) 3.439 2.454 ( -3.504 -1.856 -0.192) 3.970 2.501 ( -2.300 1.607 -0.123) 2.809 2.575 ( -0.442 -4.436 0.520) 4.488 2.587 ( 1.594 -0.672 -1.811) 2.505 2.611 ( -5.432 0.291 -1.126) 5.556 2.680 ( -0.761 -3.082 -1.239) 3.408 2.718 ( 0.201 2.108 -0.896) 2.299 2.791 ( -2.039 2.465 3.199) 4.524 2.810 ( 0.799 -3.001 2.926) 4.267 2.822 ( -0.128 1.241 -1.248) 1.765 2.849 ( -0.039 -1.847 -0.502) 1.914 2.877 ( 1.360 0.839 2.979) 3.380 2.890 ( 2.828 -2.644 -0.899) 3.974 2.949 ( -1.989 -5.487 -0.233) 5.841 2.954 ( -1.174 -4.165 0.720) 4.387 3.015 ( 2.728 -0.157 1.485) 3.110 3.028 ( -3.501 0.042 0.398) 3.524 3.068 ( 0.902 1.348 -1.075) 1.946 3.083 ( 0.260 -1.565 0.637) 1.709 3.125 ( 2.391 4.025 0.814) 4.752 3.174 ( -0.611 -2.679 0.709) 2.838 3.212 ( 0.223 1.732 -0.742) 1.898 3.249 ( 1.928 2.341 -0.253) 3.044 3.262 ( -0.396 0.608 -1.071) 1.294 3.278 ( 3.463 -0.571 0.633) 3.566 3.303 ( -3.796 0.710 -4.537) 5.958 3.336 ( -1.269 2.667 -2.395) 3.802 3.364 ( 1.570 -0.682 -0.862) 1.917 3.403 ( 3.516 0.592 -0.948) 3.689 3.408 ( 0.667 -1.779 -0.730) 2.036 3.450 ( -1.773 4.583 -0.921) 4.999 3.504 ( 2.237 -2.520 2.255) 4.054 3.523 ( -0.385 0.744 1.229) 1.487 3.533 ( 1.495 -0.541 2.210) 2.722 3.592 ( 1.732 0.371 -0.223) 1.785 3.641 ( 4.316 3.290 -4.093) 6.798 3.670 ( 1.580 -3.504 -2.305) 4.481 3.703 ( 5.956 0.687 1.516) 6.184 3.730 ( -2.160 -0.888 -2.180) 3.195 3.761 ( 0.316 0.924 1.582) 1.859 3.776 ( -3.118 -2.098 -1.696) 4.123 3.793 ( -0.511 -1.916 0.739) 2.116 3.834 ( 0.151 0.404 3.366) 3.394 3.866 ( 3.170 0.823 -2.123) 3.903 3.875 ( 2.500 -1.573 2.731) 4.023 3.941 ( -2.713 -2.478 -0.504) 3.708 3.945 ( -0.983 -0.333 -0.248) 1.068 3.982 ( -1.830 -3.055 2.952) 4.626 4.031 ( 0.552 -2.311 0.008) 2.376 4.057 ( -0.112 -0.946 -0.757) 1.217 4.084 ( -0.382 -2.724 0.518) 2.799 4.141 ( 0.364 -2.841 -0.756) 2.963 4.188 ( -2.567 2.481 4.350) 5.628 4.233 ( 2.793 2.091 -4.337) 5.566 4.252 ( 0.628 -1.436 3.222) 3.583 4.279 ( 3.784 4.398 1.922) 6.112 4.341 ( 1.246 -0.316 -4.931) 5.096 4.414 ( 6.199 0.378 -1.686) 6.436 4.425 ( 0.710 0.151 -4.399) 4.459 4.486 ( 5.708 0.325 -0.935) 5.793 4.500 ( 1.266 0.111 1.095) 1.677 4.553 ( -2.103 0.392 0.158) 2.146 4.605 ( 4.485 -2.814 0.325) 5.304 4.667 ( 0.018 2.245 -4.614) 5.132 4.766 ( -6.219 0.660 2.567) 6.760 4.862 ( -3.520 -1.341 0.468) 3.796 4.896 ( -1.401 2.587 2.491) 3.855 4.921 ( -4.954 -1.044 0.936) 5.148 4.961 ( -1.557 -1.390 -0.765) 2.223 5.032 ( -1.155 1.466 -2.914) 3.460 5.054 ( 1.880 -0.083 -1.946) 2.707 5.084 ( -0.858 -2.296 -0.859) 2.597 5.123 ( 1.006 -1.275 -1.418) 2.156 5.150 ( 0.689 0.450 0.644) 1.045 5.244 ( -2.519 -1.783 1.334) 3.362 5.259 ( 0.212 0.670 2.200) 2.310 5.335 ( -0.440 -1.267 2.493) 2.831 5.346 ( 2.335 -0.658 6.024) 6.494 5.382 ( 0.330 -2.058 1.750) 2.722 5.402 ( 1.417 -2.580 0.119) 2.946 5.433 ( -0.819 -1.916 3.336) 3.933 5.454 ( -2.012 -2.560 -3.897) 5.078 5.594 ( -3.657 1.923 1.116) 4.280 5.636 ( -1.286 -0.156 1.020) 1.649 5.738 ( -0.375 1.063 0.001) 1.128 5.789 ( -0.507 0.208 -0.295) 0.623 5.814 ( -3.288 -0.976 -1.680) 3.819 5.840 ( -1.808 -0.560 -1.639) 2.504 6.141 ( 4.164 1.227 -3.737) 5.728 6.175 ( -0.316 -0.642 0.725) 1.019 6.271 ( 2.231 0.182 -0.242) 2.251 6.296 ( 0.295 -0.721 1.328) 1.539 6.627 ( -0.053 0.921 0.309) 0.973 6.629 ( 0.234 0.800 -0.420) 0.934 6.725 ( 0.519 -0.052 -0.544) 0.754 6.732 ( -0.208 -0.350 0.604) 0.728 7.800 ( -0.154 0.020 0.267) 0.309 7.807 ( -0.076 -0.002 -0.255) 0.266 7.836 ( -0.118 -1.296 -0.015) 1.302 7.849 ( 0.613 -1.232 0.232) 1.396 7.876 ( 0.128 -1.074 -0.101) 1.086 7.893 ( 0.982 -1.915 0.368) 2.183 7.910 ( -0.268 -1.365 0.150) 1.399 7.923 ( -0.162 -1.868 -0.565) 1.959 8.859 ( -0.498 -0.345 0.239) 0.651 8.867 ( -0.600 -0.288 -0.527) 0.849 8.890 ( -0.236 -1.375 0.688) 1.555 8.906 ( -0.439 -1.651 -0.476) 1.774 9.183 ( -0.670 3.147 0.872) 3.333 9.217 ( -0.153 1.022 0.919) 1.382 9.226 ( -1.441 3.035 -0.025) 3.360 9.260 ( -1.395 0.679 -0.637) 1.677 9.348 ( -0.445 4.387 0.485) 4.437 9.355 ( -0.652 4.448 -0.486) 4.522 9.455 ( 0.732 0.282 0.975) 1.252 9.470 ( 0.913 -0.505 -0.414) 1.123 9.573 ( -1.365 0.848 0.430) 1.664 9.587 ( -1.536 -0.163 -0.473) 1.615 9.656 ( 2.725 -3.141 1.035) 4.285 9.683 ( 3.149 -3.816 -1.209) 5.093 9.792 ( -2.869 0.499 -0.488) 2.953 9.821 ( -1.485 0.446 0.224) 1.566 9.853 ( -2.484 -2.324 -0.154) 3.405 9.904 ( -2.893 -2.409 0.063) 3.765 10.016 ( 2.071 2.515 2.665) 4.209 10.097 ( 3.162 2.167 -1.877) 4.269 10.145 ( 2.834 -2.658 1.155) 4.054 10.202 ( 2.109 -2.641 -0.825) 3.479 10.293 ( -1.827 3.242 -0.033) 3.721 10.297 ( -2.798 3.743 -0.042) 4.673 10.362 ( -2.328 0.605 0.294) 2.423 10.394 ( -2.333 -0.811 -1.557) 2.920 10.656 ( 1.338 2.055 0.322) 2.473 10.684 ( 1.130 2.764 -0.197) 2.992 10.726 ( 2.116 0.726 0.331) 2.262 10.772 ( 3.202 -0.331 0.508) 3.259 10.845 ( -0.424 3.165 1.492) 3.524 10.879 ( -2.483 -0.343 -0.183) 2.513 10.905 ( -0.500 2.651 -0.340) 2.719 10.936 ( 0.181 2.311 -0.944) 2.503 11.162 ( 0.782 1.618 0.999) 2.056 11.183 ( 0.502 1.737 0.347) 1.842 11.202 ( 1.066 0.774 -1.923) 2.331 11.213 ( 0.639 0.757 -1.246) 1.592======================= Grid point 65 (32/35) =======================q-point: ( 0.00 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 31Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( -2.625 -1.913 4.527) 5.571 1.324 ( -2.625 1.913 4.527) 5.571 1.458 ( 3.073 -0.404 -4.984) 5.869 1.458 ( 3.073 0.404 -4.984) 5.869 1.593 ( 1.773 -4.347 0.271) 4.703 1.593 ( 1.773 4.347 0.271) 4.703 1.733 ( -0.444 -2.436 -0.692) 2.571 1.733 ( -0.444 2.436 -0.692) 2.571 1.810 ( -3.654 -0.770 1.836) 4.162 1.810 ( -3.654 0.770 1.836) 4.162 1.881 ( -1.117 -2.675 2.948) 4.134 1.881 ( -1.117 2.675 2.948) 4.134 1.994 ( 3.680 -2.026 -2.865) 5.085 1.994 ( 3.680 2.026 -2.865) 5.085 2.115 ( -1.321 -1.062 -0.461) 1.756 2.115 ( -1.321 1.062 -0.461) 1.756 2.251 ( -0.294 -0.429 3.913) 3.948 2.251 ( -0.294 0.429 3.913) 3.948 2.295 ( -2.372 -3.101 1.146) 4.069 2.295 ( -2.372 3.101 1.146) 4.069 2.345 ( 1.042 -4.771 -0.650) 4.926 2.345 ( 1.042 4.771 -0.650) 4.926 2.408 ( 3.139 -0.958 -5.006) 5.985 2.408 ( 3.139 0.958 -5.006) 5.985 2.458 ( -0.455 -2.011 0.855) 2.232 2.458 ( -0.455 2.011 0.855) 2.232 2.509 ( -1.539 -3.176 -1.795) 3.960 2.509 ( -1.539 3.176 -1.795) 3.960 2.631 ( -0.061 -2.537 -1.684) 3.046 2.631 ( -0.061 2.537 -1.684) 3.046 2.751 ( 0.305 -2.976 3.211) 4.389 2.751 ( 0.305 2.976 3.211) 4.389 2.807 ( -1.067 -5.058 0.162) 5.172 2.807 ( -1.067 5.058 0.162) 5.172 2.843 ( 1.985 -2.175 2.070) 3.600 2.843 ( 1.985 2.175 2.070) 3.600 2.886 ( 0.488 -1.910 0.315) 1.996 2.886 ( 0.488 1.910 0.315) 1.996 2.940 ( -0.915 -1.596 -1.631) 2.458 2.940 ( -0.915 1.596 -1.631) 2.458 3.047 ( -0.416 -0.947 0.636) 1.214 3.047 ( -0.416 0.947 0.636) 1.214 3.131 ( 1.632 -0.329 -4.246) 4.561 3.131 ( 1.632 0.329 -4.246) 4.561 3.216 ( 0.367 -2.740 1.721) 3.257 3.216 ( 0.367 2.740 1.721) 3.257 3.274 ( -1.499 -0.837 -1.921) 2.576 3.274 ( -1.499 0.837 -1.921) 2.576 3.344 ( 2.976 -2.627 3.740) 5.454 3.344 ( 2.976 2.627 3.740) 5.454 3.399 ( 0.753 -2.735 -0.402) 2.865 3.399 ( 0.753 2.735 -0.402) 2.865 3.426 ( 0.145 -5.059 1.692) 5.336 3.426 ( 0.145 5.059 1.692) 5.336 3.474 ( -2.529 -0.955 -0.433) 2.738 3.474 ( -2.529 0.955 -0.433) 2.738 3.543 ( 1.308 -4.994 -4.119) 6.604 3.543 ( 1.308 4.994 -4.119) 6.604 3.612 ( -1.892 -2.512 2.754) 4.180 3.612 ( -1.892 2.512 2.754) 4.180 3.660 ( -1.149 -0.967 -1.292) 1.981 3.660 ( -1.149 0.967 -1.292) 1.981 3.735 ( -0.533 -1.257 -2.022) 2.439 3.735 ( -0.533 1.257 -2.022) 2.439 3.816 ( 0.577 -2.751 -0.600) 2.875 3.816 ( 0.577 2.751 -0.600) 2.875 3.850 ( -1.693 -2.436 2.561) 3.919 3.850 ( -1.693 2.436 2.561) 3.919 3.893 ( 0.511 -3.809 1.218) 4.032 3.893 ( 0.511 3.809 1.218) 4.032 3.928 ( 2.651 -1.135 -1.684) 3.340 3.928 ( 2.651 1.135 -1.684) 3.340 3.991 ( -1.198 -1.643 2.058) 2.893 3.991 ( -1.198 1.643 2.058) 2.893 4.138 ( 2.226 -0.534 -2.383) 3.304 4.138 ( 2.226 0.534 -2.383) 3.304 4.175 ( -3.491 -2.593 5.321) 6.872 4.175 ( -3.491 2.593 5.321) 6.872 4.330 ( 2.232 -2.460 -7.080) 7.821 4.330 ( 2.232 2.460 -7.080) 7.821 4.427 ( -1.045 -4.343 1.178) 4.620 4.427 ( -1.045 4.343 1.178) 4.620 4.513 ( 3.119 -2.394 0.349) 3.948 4.513 ( 3.119 2.394 0.349) 3.948 4.585 ( -2.820 -2.384 3.814) 5.309 4.585 ( -2.820 2.384 3.814) 5.309 4.646 ( 2.031 -0.955 1.320) 2.604 4.646 ( 2.031 0.955 1.320) 2.604 4.754 ( -2.576 -2.261 -4.130) 5.367 4.754 ( -2.576 2.261 -4.130) 5.367 4.846 ( 0.474 -2.051 -1.715) 2.715 4.846 ( 0.474 2.051 -1.715) 2.715 4.977 ( -1.797 -3.403 0.734) 3.918 4.977 ( -1.797 3.403 0.734) 3.918 5.031 ( 0.367 -0.986 -1.885) 2.159 5.031 ( 0.367 0.986 -1.885) 2.159 5.153 ( -0.573 -2.877 -0.059) 2.934 5.153 ( -0.573 2.877 -0.059) 2.934 5.191 ( -0.905 -3.980 -1.054) 4.216 5.191 ( -0.905 3.980 -1.054) 4.216 5.343 ( -0.104 -1.454 1.037) 1.789 5.343 ( -0.104 1.454 1.037) 1.789 5.407 ( 0.281 -0.335 3.053) 3.084 5.407 ( 0.281 0.335 3.053) 3.084 5.474 ( 6.282 -1.520 1.397) 6.612 5.474 ( 6.282 1.520 1.397) 6.612 5.572 ( -0.953 -1.468 0.698) 1.884 5.572 ( -0.953 1.468 0.698) 1.884 5.757 ( -1.152 -1.148 -0.226) 1.642 5.757 ( -1.152 1.148 -0.226) 1.642 5.781 ( -1.003 -0.336 -1.289) 1.667 5.781 ( -1.003 0.336 -1.289) 1.667 6.168 ( -1.537 -1.838 1.000) 2.596 6.168 ( -1.537 1.838 1.000) 2.596 6.306 ( 1.010 -0.653 -1.040) 1.590 6.306 ( 1.010 0.653 -1.040) 1.590 6.639 ( -0.053 -0.493 0.018) 0.496 6.639 ( -0.053 0.493 0.018) 0.496 6.729 ( 0.178 -0.503 -0.264) 0.595 6.729 ( 0.178 0.503 -0.264) 0.595 7.809 ( -0.337 -0.221 -0.116) 0.419 7.809 ( -0.337 0.221 -0.116) 0.419 7.826 ( 0.488 -0.371 0.306) 0.686 7.826 ( 0.488 0.371 0.306) 0.686 7.883 ( -0.536 -0.566 0.171) 0.798 7.883 ( -0.536 0.566 0.171) 0.798 7.893 ( 0.380 -0.699 -0.310) 0.854 7.893 ( 0.380 0.699 -0.310) 0.854 8.856 ( -0.047 -0.417 -0.044) 0.422 8.856 ( -0.047 0.417 -0.044) 0.422 8.880 ( 0.056 -0.521 0.004) 0.524 8.880 ( 0.056 0.521 0.004) 0.524 9.204 ( -0.273 -0.358 1.300) 1.376 9.204 ( -0.273 0.358 1.300) 1.376 9.246 ( 0.301 -0.481 -0.846) 1.018 9.246 ( 0.301 0.481 -0.846) 1.018 9.426 ( -0.322 -3.436 0.496) 3.486 9.426 ( -0.322 3.436 0.496) 3.486 9.438 ( 0.345 -3.280 -0.204) 3.305 9.438 ( 0.345 3.280 -0.204) 3.305 9.617 ( 0.227 -3.131 0.320) 3.155 9.617 ( 0.227 3.131 0.320) 3.155 9.633 ( -0.309 -3.969 -0.361) 3.997 9.633 ( -0.309 3.969 -0.361) 3.997 9.773 ( -0.055 -0.514 -0.319) 0.607 9.773 ( -0.055 0.514 -0.319) 0.607 9.814 ( 0.087 -0.528 0.015) 0.535 9.814 ( 0.087 0.528 0.015) 0.535 10.121 ( 0.339 -2.719 3.440) 4.398 10.121 ( 0.339 2.719 3.440) 4.398 10.199 ( -0.186 -1.177 -2.299) 2.589 10.199 ( -0.186 1.177 -2.299) 2.589 10.309 ( -0.495 -1.304 -0.378) 1.446 10.309 ( -0.495 1.304 -0.378) 1.446 10.319 ( 0.213 -0.097 -0.577) 0.623 10.319 ( 0.213 0.097 -0.577) 0.623 10.708 ( 0.352 -2.535 1.540) 2.987 10.708 ( 0.352 2.535 1.540) 2.987 10.759 ( -0.779 -3.258 -1.153) 3.542 10.759 ( -0.779 3.258 -1.153) 3.542 10.873 ( 1.267 -0.833 1.221) 1.946 10.873 ( 1.267 0.833 1.221) 1.946 10.939 ( -0.668 -1.012 -1.170) 1.685 10.939 ( -0.668 1.012 -1.170) 1.685 11.198 ( -0.035 -0.501 1.089) 1.200 11.198 ( -0.035 0.501 1.089) 1.200 11.237 ( -0.012 -0.138 -1.856) 1.861 11.237 ( -0.012 0.138 -1.856) 1.861======================= Grid point 67 (33/35) =======================q-point: ( 0.25 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( 1.390 -1.983 2.095) 3.202 1.316 ( 1.390 1.983 2.095) 3.202 1.519 ( 2.127 -2.519 -3.133) 4.548 1.519 ( 2.127 2.519 -3.133) 4.548 1.620 ( 1.492 -1.808 -3.215) 3.979 1.620 ( 1.492 1.808 -3.215) 3.979 1.723 ( -1.709 -3.405 1.771) 4.201 1.723 ( -1.709 3.405 1.771) 4.201 1.767 ( -0.018 -2.537 3.811) 4.578 1.767 ( -0.018 2.537 3.811) 4.578 1.869 ( -0.342 -5.355 -3.052) 6.173 1.869 ( -0.342 5.355 -3.052) 6.173 2.036 ( 0.072 -5.988 3.429) 6.900 2.036 ( 0.072 5.988 3.429) 6.900 2.128 ( 4.099 -5.408 -1.319) 6.913 2.128 ( 4.099 5.408 -1.319) 6.913 2.216 ( -2.039 -2.057 2.999) 4.169 2.216 ( -2.039 2.057 2.999) 4.169 2.252 ( -2.076 -4.800 0.770) 5.286 2.252 ( -2.076 4.800 0.770) 5.286 2.386 ( 0.951 -5.747 -0.062) 5.826 2.386 ( 0.951 5.747 -0.062) 5.826 2.437 ( 1.599 -1.027 -3.895) 4.334 2.437 ( 1.599 1.027 -3.895) 4.334 2.502 ( 3.256 -0.804 -0.616) 3.410 2.502 ( 3.256 0.804 -0.616) 3.410 2.547 ( 4.041 -2.739 0.323) 4.892 2.547 ( 4.041 2.739 0.323) 4.892 2.603 ( -1.593 -1.141 0.683) 2.075 2.603 ( -1.593 1.141 0.683) 2.075 2.732 ( -1.583 -3.525 1.752) 4.243 2.732 ( -1.583 3.525 1.752) 4.243 2.787 ( -1.165 -3.931 -0.840) 4.185 2.787 ( -1.165 3.931 -0.840) 4.185 2.863 ( 0.522 -1.794 0.578) 1.955 2.863 ( 0.522 1.794 0.578) 1.955 2.916 ( 0.511 -2.613 -0.488) 2.707 2.916 ( 0.511 2.613 -0.488) 2.707 2.965 ( 4.171 -3.112 0.279) 5.212 2.965 ( 4.171 3.112 0.279) 5.212 3.042 ( -0.713 -1.452 0.338) 1.653 3.042 ( -0.713 1.452 0.338) 1.653 3.154 ( -0.012 -1.462 -2.207) 2.647 3.154 ( -0.012 1.462 -2.207) 2.647 3.218 ( -1.515 -2.486 -1.679) 3.361 3.218 ( -1.515 2.486 -1.679) 3.361 3.238 ( -1.587 -2.891 1.396) 3.581 3.238 ( -1.587 2.891 1.396) 3.581 3.341 ( -1.987 -2.048 -2.673) 3.910 3.341 ( -1.987 2.048 -2.673) 3.910 3.367 ( -2.536 -3.216 2.886) 5.011 3.367 ( -2.536 3.216 2.886) 5.011 3.410 ( 0.844 -1.869 0.284) 2.070 3.410 ( 0.844 1.869 0.284) 2.070 3.473 ( -0.901 -5.501 -1.371) 5.740 3.473 ( -0.901 5.501 -1.371) 5.740 3.535 ( -1.261 -3.011 -0.037) 3.264 3.535 ( -1.261 3.011 -0.037) 3.264 3.578 ( 0.151 -2.715 2.136) 3.457 3.578 ( 0.151 2.715 2.136) 3.457 3.642 ( -1.220 -2.718 -2.440) 3.851 3.642 ( -1.220 2.718 -2.440) 3.851 3.742 ( 0.803 -1.496 0.765) 1.862 3.742 ( 0.803 1.496 0.765) 1.862 3.793 ( -3.400 -3.162 -0.136) 4.645 3.793 ( -3.400 3.162 -0.136) 4.645 3.851 ( 0.663 -2.382 1.259) 2.774 3.851 ( 0.663 2.382 1.259) 2.774 3.888 ( 0.559 -0.510 -0.224) 0.789 3.888 ( 0.559 0.510 -0.224) 0.789 3.972 ( -0.050 -1.663 0.588) 1.765 3.972 ( -0.050 1.663 0.588) 1.765 4.007 ( 3.899 -2.026 -1.122) 4.534 4.007 ( 3.899 2.026 -1.122) 4.534 4.080 ( -3.403 -1.479 2.243) 4.336 4.080 ( -3.403 1.479 2.243) 4.336 4.206 ( 2.748 -2.213 0.455) 3.557 4.206 ( 2.748 2.213 0.455) 3.557 4.338 ( -2.362 -1.290 -3.528) 4.437 4.338 ( -2.362 1.290 -3.528) 4.437 4.391 ( -2.130 -6.095 1.743) 6.688 4.391 ( -2.130 6.095 1.743) 6.688 4.441 ( -5.138 -0.686 -4.454) 6.834 4.441 ( -5.138 0.686 -4.454) 6.834 4.537 ( -4.164 -2.548 0.338) 4.893 4.537 ( -4.164 2.548 0.338) 4.893 4.639 ( -1.684 -2.236 -0.448) 2.835 4.639 ( -1.684 2.236 -0.448) 2.835 4.773 ( 5.655 -3.865 1.277) 6.967 4.773 ( 5.655 3.865 1.277) 6.967 4.904 ( 2.568 -0.374 0.697) 2.687 4.904 ( 2.568 0.374 0.697) 2.687 4.997 ( 2.230 -1.269 0.078) 2.567 4.997 ( 2.230 1.269 0.078) 2.567 5.040 ( 0.261 -2.118 -0.282) 2.153 5.040 ( 0.261 2.118 -0.282) 2.153 5.131 ( -1.062 -2.450 -0.030) 2.670 5.131 ( -1.062 2.450 -0.030) 2.670 5.208 ( 2.217 -0.951 1.619) 2.906 5.208 ( 2.217 0.951 1.619) 2.906 5.330 ( -0.804 -1.413 1.653) 2.319 5.330 ( -0.804 1.413 1.653) 2.319 5.380 ( -2.110 -0.609 2.525) 3.347 5.380 ( -2.110 0.609 2.525) 3.347 5.549 ( 0.412 -1.350 -7.030) 7.170 5.549 ( 0.412 1.350 -7.030) 7.170 5.633 ( 3.966 -0.746 2.010) 4.509 5.633 ( 3.966 0.746 2.010) 4.509 5.733 ( 0.986 -0.408 2.971) 3.157 5.733 ( 0.986 0.408 2.971) 3.157 5.802 ( 2.580 -1.863 -1.493) 3.515 5.802 ( 2.580 1.863 -1.493) 3.515 6.118 ( -3.108 -2.557 0.414) 4.046 6.118 ( -3.108 2.557 0.414) 4.046 6.307 ( -0.843 -0.866 -0.544) 1.326 6.307 ( -0.843 0.866 -0.544) 1.326 6.635 ( -0.196 -0.566 -0.011) 0.599 6.635 ( -0.196 0.566 -0.011) 0.599 6.730 ( -0.031 -0.676 -0.175) 0.699 6.730 ( -0.031 0.676 -0.175) 0.699 7.806 ( -0.048 -0.896 0.316) 0.952 7.806 ( -0.048 0.896 0.316) 0.952 7.825 ( -0.372 -1.281 -0.340) 1.376 7.825 ( -0.372 1.281 -0.340) 1.376 7.873 ( -0.385 -1.068 0.539) 1.257 7.873 ( -0.385 1.068 0.539) 1.257 7.899 ( 0.185 -0.757 -0.469) 0.909 7.899 ( 0.185 0.757 -0.469) 0.909 8.859 ( 0.281 -0.372 0.084) 0.474 8.859 ( 0.281 0.372 0.084) 0.474 8.883 ( 0.263 -0.429 -0.131) 0.520 8.883 ( 0.263 0.429 -0.131) 0.520 9.213 ( 0.981 -0.799 1.142) 1.704 9.213 ( 0.981 0.799 1.142) 1.704 9.265 ( 1.331 -0.892 -0.662) 1.734 9.265 ( 1.331 0.892 -0.662) 1.734 9.419 ( -0.303 -3.084 0.513) 3.141 9.419 ( -0.303 3.084 0.513) 3.141 9.444 ( 0.097 -3.223 -0.282) 3.237 9.444 ( 0.097 3.223 -0.282) 3.237 9.602 ( -1.239 -0.821 0.005) 1.486 9.602 ( -1.239 0.821 0.005) 1.486 9.611 ( -1.550 -2.177 -0.001) 2.672 9.611 ( -1.550 2.177 -0.001) 2.672 9.808 ( 2.993 -1.710 -0.014) 3.447 9.808 ( 2.993 1.710 -0.014) 3.447 9.859 ( 3.866 -1.811 -0.304) 4.280 9.859 ( 3.866 1.811 -0.304) 4.280 10.089 ( -2.958 -3.146 2.934) 5.221 10.089 ( -2.958 3.146 2.934) 5.221 10.138 ( -4.534 -2.435 -2.056) 5.542 10.138 ( -4.534 2.435 -2.056) 5.542 10.348 ( 3.345 -1.106 0.283) 3.535 10.348 ( 3.345 1.106 0.283) 3.535 10.356 ( 2.444 -2.040 -0.752) 3.271 10.356 ( 2.444 2.040 -0.752) 3.271 10.703 ( -1.102 -1.861 0.653) 2.259 10.703 ( -1.102 1.861 0.653) 2.259 10.725 ( -1.684 -2.086 0.052) 2.681 10.725 ( -1.684 2.086 0.052) 2.681 10.906 ( 1.391 -1.390 0.475) 2.024 10.906 ( 1.391 1.390 0.475) 2.024 10.929 ( -0.046 -1.664 -0.940) 1.912 10.929 ( -0.046 1.664 -0.940) 1.912 11.188 ( -0.802 -0.617 0.668) 1.212 11.188 ( -0.802 0.617 0.668) 1.212 11.220 ( -1.337 -0.164 -1.440) 1.972 11.220 ( -1.337 0.164 -1.440) 1.972======================= Grid point 69 (34/35) =======================q-point: (-0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 31Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( 2.110 -1.676 -1.373) 3.025 1.354 ( 2.110 1.676 -1.373) 3.025 1.512 ( -2.329 -1.551 0.905) 2.941 1.512 ( -2.329 1.551 0.905) 2.941 1.636 ( -4.997 -1.650 0.970) 5.351 1.636 ( -4.997 1.650 0.970) 5.351 1.695 ( 4.786 -2.491 -3.268) 6.308 1.695 ( 4.786 2.491 -3.268) 6.308 1.787 ( 0.419 -3.516 1.716) 3.935 1.787 ( 0.419 3.516 1.716) 3.935 1.850 ( 0.151 -4.237 -3.176) 5.297 1.850 ( 0.151 4.237 -3.176) 5.297 2.098 ( 3.653 -5.521 3.427) 7.455 2.098 ( 3.653 5.521 3.427) 7.455 2.160 ( -2.412 -5.600 -1.301) 6.235 2.160 ( -2.412 5.600 -1.301) 6.235 2.194 ( -1.354 -2.747 1.367) 3.354 2.194 ( -1.354 2.747 1.367) 3.354 2.231 ( 2.806 -4.423 2.154) 5.664 2.231 ( 2.806 4.423 2.154) 5.664 2.385 ( -0.857 -2.512 1.562) 3.080 2.385 ( -0.857 2.512 1.562) 3.080 2.439 ( -2.560 -0.329 -2.528) 3.613 2.439 ( -2.560 0.329 -2.528) 3.613 2.526 ( 0.402 -2.163 -0.182) 2.208 2.526 ( 0.402 2.163 -0.182) 2.208 2.577 ( -0.541 -1.158 -1.643) 2.082 2.577 ( -0.541 1.158 -1.643) 2.082 2.608 ( 0.071 -0.685 3.065) 3.141 2.608 ( 0.071 0.685 3.065) 3.141 2.755 ( 2.268 -4.003 -0.553) 4.634 2.755 ( 2.268 4.003 -0.553) 4.634 2.781 ( 2.679 -3.335 2.526) 4.968 2.781 ( 2.679 3.335 2.526) 4.968 2.868 ( -3.656 -2.390 -0.528) 4.400 2.868 ( -3.656 2.390 -0.528) 4.400 2.907 ( 0.540 -2.472 -1.720) 3.060 2.907 ( 0.540 2.472 -1.720) 3.060 2.961 ( -2.371 -2.312 -0.200) 3.318 2.961 ( -2.371 2.312 -0.200) 3.318 3.064 ( 1.179 -1.610 1.266) 2.364 3.064 ( 1.179 1.610 1.266) 2.364 3.120 ( -1.867 -3.094 -1.045) 3.762 3.120 ( -1.867 3.094 -1.045) 3.762 3.165 ( -0.356 -2.712 0.774) 2.843 3.165 ( -0.356 2.712 0.774) 2.843 3.249 ( 1.234 -1.483 -1.278) 2.314 3.249 ( 1.234 1.483 -1.278) 2.314 3.314 ( -1.424 -3.468 2.922) 4.753 3.314 ( -1.424 3.468 2.922) 4.753 3.373 ( 2.312 -2.327 -0.780) 3.372 3.373 ( 2.312 2.327 -0.780) 3.372 3.421 ( -2.563 -1.374 -0.308) 2.924 3.421 ( -2.563 1.374 -0.308) 2.924 3.455 ( -0.645 -3.245 -1.248) 3.536 3.455 ( -0.645 3.245 -1.248) 3.536 3.515 ( 4.127 -0.903 -3.304) 5.363 3.515 ( 4.127 0.903 -3.304) 5.363 3.596 ( 0.049 -0.615 0.128) 0.630 3.596 ( 0.049 0.615 0.128) 0.630 3.664 ( 1.826 -3.337 0.544) 3.842 3.664 ( 1.826 3.337 0.544) 3.842 3.686 ( -1.914 -5.412 -0.983) 5.824 3.686 ( -1.914 5.412 -0.983) 5.824 3.789 ( 0.689 -2.001 2.129) 3.002 3.789 ( 0.689 2.001 2.129) 3.002 3.820 ( -1.616 -2.031 -0.002) 2.596 3.820 ( -1.616 2.031 -0.002) 2.596 3.915 ( 0.547 -1.532 0.672) 1.760 3.915 ( 0.547 1.532 0.672) 1.760 3.965 ( -0.401 -1.642 1.276) 2.118 3.965 ( -0.401 1.642 1.276) 2.118 4.045 ( -0.620 -3.239 -0.323) 3.314 4.045 ( -0.620 3.239 -0.323) 3.314 4.082 ( 1.742 -2.217 -2.529) 3.788 4.082 ( 1.742 2.217 -2.529) 3.788 4.227 ( -0.679 -0.874 2.258) 2.515 4.227 ( -0.679 0.874 2.258) 2.515 4.293 ( -1.185 -3.367 -2.663) 4.453 4.293 ( -1.185 3.367 -2.663) 4.453 4.347 ( -0.680 -1.912 -2.426) 3.162 4.347 ( -0.680 1.912 -2.426) 3.162 4.393 ( 1.010 -5.245 1.806) 5.639 4.393 ( 1.010 5.245 1.806) 5.639 4.493 ( -0.474 -2.389 -3.275) 4.082 4.493 ( -0.474 2.389 -3.275) 4.082 4.636 ( 0.717 -3.835 -1.525) 4.189 4.636 ( 0.717 3.835 -1.525) 4.189 4.863 ( 1.649 -3.831 3.979) 5.764 4.863 ( 1.649 3.831 3.979) 5.764 4.924 ( 0.081 -0.735 0.526) 0.908 4.924 ( 0.081 0.735 0.526) 0.908 5.002 ( -1.088 -2.677 0.055) 2.890 5.002 ( -1.088 2.677 0.055) 2.890 5.044 ( 0.611 -0.413 -1.920) 2.057 5.044 ( 0.611 0.413 -1.920) 2.057 5.128 ( 0.619 -0.426 0.132) 0.763 5.128 ( 0.619 0.426 0.132) 0.763 5.247 ( 0.762 -0.797 4.369) 4.506 5.247 ( 0.762 0.797 4.369) 4.506 5.326 ( 0.447 -0.521 1.250) 1.426 5.326 ( 0.447 0.521 1.250) 1.426 5.359 ( -0.142 -1.334 3.405) 3.660 5.359 ( -0.142 1.334 3.405) 3.660 5.497 ( -4.603 -0.642 -6.366) 7.882 5.497 ( -4.603 0.642 -6.366) 7.882 5.654 ( -0.542 -0.871 1.309) 1.663 5.654 ( -0.542 0.871 1.309) 1.663 5.775 ( 0.985 -1.111 3.233) 3.558 5.775 ( 0.985 1.111 3.233) 3.558 5.851 ( 0.666 -0.419 -2.592) 2.709 5.851 ( 0.666 0.419 -2.592) 2.709 6.096 ( 2.105 -0.276 -2.626) 3.377 6.096 ( 2.105 0.276 -2.626) 3.377 6.284 ( -1.077 -0.241 1.137) 1.584 6.284 ( -1.077 0.241 1.137) 1.584 6.634 ( 0.040 -0.133 -0.084) 0.163 6.634 ( 0.040 0.133 -0.084) 0.163 6.728 ( -0.163 -0.022 0.110) 0.197 6.728 ( -0.163 0.022 0.110) 0.197 7.803 ( -0.088 -0.523 0.150) 0.551 7.803 ( -0.088 0.523 0.150) 0.551 7.826 ( 0.260 -0.898 -0.022) 0.935 7.826 ( 0.260 0.898 -0.022) 0.935 7.865 ( -0.279 -0.801 0.249) 0.883 7.865 ( -0.279 0.801 0.249) 0.883 7.902 ( 0.111 -0.593 -0.342) 0.694 7.902 ( 0.111 0.593 -0.342) 0.694 8.863 ( 0.039 -0.381 0.177) 0.422 8.863 ( 0.039 0.381 0.177) 0.422 8.886 ( -0.048 -0.544 -0.220) 0.589 8.886 ( -0.048 0.544 -0.220) 0.589 9.228 ( 0.237 -0.787 0.967) 1.270 9.228 ( 0.237 0.787 0.967) 1.270 9.278 ( -0.289 -0.993 -0.418) 1.115 9.278 ( -0.289 0.993 -0.418) 1.115 9.420 ( 0.358 -2.694 0.744) 2.818 9.420 ( 0.358 2.694 0.744) 2.818 9.440 ( -0.382 -3.024 -0.564) 3.100 9.440 ( -0.382 3.024 -0.564) 3.100 9.587 ( -0.213 -0.306 0.172) 0.410 9.587 ( -0.213 0.306 0.172) 0.410 9.593 ( 0.276 -0.727 -0.180) 0.798 9.593 ( 0.276 0.727 -0.180) 0.798 9.852 ( 0.379 -0.489 0.045) 0.620 9.852 ( 0.379 0.489 0.045) 0.620 9.911 ( -0.359 -0.613 -0.507) 0.872 9.911 ( -0.359 0.613 -0.507) 0.872 10.037 ( -0.886 -2.033 2.247) 3.157 10.037 ( -0.886 2.033 2.247) 3.157 10.090 ( 0.902 -1.722 -1.325) 2.353 10.090 ( 0.902 1.722 -1.325) 2.353 10.369 ( -0.709 -0.302 -0.565) 0.955 10.369 ( -0.709 0.302 -0.565) 0.955 10.405 ( 0.946 -0.477 0.295) 1.100 10.405 ( 0.946 0.477 0.295) 1.100 10.672 ( -0.725 -0.378 -0.255) 0.857 10.672 ( -0.725 0.378 -0.255) 0.857 10.720 ( 0.714 -0.372 0.823) 1.152 10.720 ( 0.714 0.372 0.823) 1.152 10.907 ( -0.998 -1.433 0.446) 1.802 10.907 ( -0.998 1.433 0.446) 1.802 10.941 ( 0.649 -1.418 -0.776) 1.742 10.941 ( 0.649 1.418 -0.776) 1.742 11.181 ( 0.277 -0.851 -0.061) 0.897 11.181 ( 0.277 0.851 -0.061) 0.897 11.202 ( -0.175 -0.424 -0.802) 0.924 11.202 ( -0.175 0.424 -0.802) 0.924======================= Grid point 73 (35/35) =======================q-point: (-0.25 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( -0.265 -2.466 -0.598) 2.552 1.384 ( -0.265 2.466 -0.598) 2.552 1.437 ( -3.273 -1.855 0.451) 3.789 1.437 ( -3.273 1.855 0.451) 3.789 1.578 ( -0.750 -6.650 -0.212) 6.695 1.578 ( -0.750 6.650 -0.212) 6.695 1.756 ( -1.096 -6.100 1.286) 6.329 1.756 ( -1.096 6.100 1.286) 6.329 1.799 ( 3.470 -1.534 -0.270) 3.803 1.799 ( 3.470 1.534 -0.270) 3.803 1.884 ( 1.874 -1.112 -4.193) 4.725 1.884 ( 1.874 1.112 -4.193) 4.725 2.037 ( -7.394 -3.625 3.618) 8.994 2.037 ( -7.394 3.625 3.618) 8.994 2.122 ( -0.149 -0.550 0.103) 0.579 2.122 ( -0.149 0.550 0.103) 0.579 2.214 ( 2.614 -1.056 1.505) 3.196 2.214 ( 2.614 1.056 1.505) 3.196 2.318 ( 3.292 -0.847 -1.647) 3.778 2.318 ( 3.292 0.847 -1.647) 3.778 2.352 ( -1.067 -0.379 1.791) 2.119 2.352 ( -1.067 0.379 1.791) 2.119 2.377 ( -2.844 -3.378 -0.985) 4.524 2.377 ( -2.844 3.378 -0.985) 4.524 2.502 ( -3.212 -2.250 0.511) 3.955 2.502 ( -3.212 2.250 0.511) 3.955 2.565 ( -1.353 -3.345 -1.727) 4.001 2.565 ( -1.353 3.345 -1.727) 4.001 2.611 ( 0.476 -2.535 -0.223) 2.589 2.611 ( 0.476 2.535 -0.223) 2.589 2.748 ( -1.002 -2.832 -0.003) 3.004 2.748 ( -1.002 2.832 -0.003) 3.004 2.800 ( -0.084 -2.369 -1.136) 2.629 2.800 ( -0.084 2.369 -1.136) 2.629 2.845 ( 0.343 -2.537 3.970) 4.724 2.845 ( 0.343 2.537 3.970) 4.724 2.888 ( -0.829 -2.060 -0.743) 2.342 2.888 ( -0.829 2.060 -0.743) 2.342 2.965 ( -0.652 -3.632 0.818) 3.780 2.965 ( -0.652 3.632 0.818) 3.780 3.053 ( -0.101 -1.900 -0.278) 1.922 3.053 ( -0.101 1.900 -0.278) 1.922 3.113 ( -0.228 -2.943 -0.692) 3.032 3.113 ( -0.228 2.943 -0.692) 3.032 3.191 ( 2.836 -4.165 0.477) 5.062 3.191 ( 2.836 4.165 0.477) 5.062 3.278 ( 1.458 -1.479 -1.038) 2.321 3.278 ( 1.458 1.479 -1.038) 2.321 3.299 ( -0.611 -1.520 0.621) 1.752 3.299 ( -0.611 1.520 0.621) 1.752 3.370 ( 0.540 -1.452 0.408) 1.602 3.370 ( 0.540 1.452 0.408) 1.602 3.425 ( 1.293 -2.778 0.700) 3.143 3.425 ( 1.293 2.778 0.700) 3.143 3.470 ( 1.976 -3.095 -1.205) 3.865 3.470 ( 1.976 3.095 -1.205) 3.865 3.543 ( -1.752 -1.617 -0.825) 2.523 3.543 ( -1.752 1.617 -0.825) 2.523 3.623 ( -0.437 -6.175 0.001) 6.191 3.623 ( -0.437 6.175 0.001) 6.191 3.659 ( 3.689 -3.005 -3.161) 5.712 3.659 ( 3.689 3.005 -3.161) 5.712 3.742 ( -0.196 -1.940 0.349) 1.981 3.742 ( -0.196 1.940 0.349) 1.981 3.791 ( 3.015 -1.790 -0.089) 3.508 3.791 ( 3.015 1.790 -0.089) 3.508 3.845 ( 2.060 -1.039 2.208) 3.193 3.845 ( 2.060 1.039 2.208) 3.193 3.899 ( -1.655 -1.878 -1.042) 2.712 3.899 ( -1.655 1.878 -1.042) 2.712 3.929 ( -2.762 -1.740 1.548) 3.613 3.929 ( -2.762 1.740 1.548) 3.613 4.024 ( -1.850 -3.179 0.806) 3.766 4.024 ( -1.850 3.179 0.806) 3.766 4.089 ( 1.498 -1.876 -0.952) 2.582 4.089 ( 1.498 1.876 -0.952) 2.582 4.231 ( -0.980 -1.322 4.127) 4.443 4.231 ( -0.980 1.322 4.127) 4.443 4.291 ( 1.484 -3.571 -5.499) 6.723 4.291 ( 1.484 3.571 -5.499) 6.723 4.383 ( 4.367 -4.646 1.754) 6.613 4.383 ( 4.367 4.646 1.754) 6.613 4.440 ( 2.126 -2.167 -2.155) 3.723 4.440 ( 2.126 2.167 -2.155) 3.723 4.534 ( 5.107 -3.733 -0.935) 6.394 4.534 ( 5.107 3.733 -0.935) 6.394 4.648 ( 0.143 -4.725 -0.679) 4.775 4.648 ( 0.143 4.725 -0.679) 4.775 4.807 ( -4.599 -3.588 0.011) 5.833 4.807 ( -4.599 3.588 0.011) 5.833 4.910 ( -3.585 -0.255 -0.085) 3.596 4.910 ( -3.585 0.255 -0.085) 3.596 4.993 ( 0.810 -2.888 0.771) 3.097 4.993 ( 0.810 2.888 0.771) 3.097 5.054 ( -1.149 -0.528 -2.203) 2.540 5.054 ( -1.149 0.528 -2.203) 2.540 5.145 ( 1.002 -2.562 -1.069) 2.951 5.145 ( 1.002 2.562 -1.069) 2.951 5.234 ( -2.099 -2.630 2.269) 4.058 5.234 ( -2.099 2.630 2.269) 4.058 5.328 ( 0.271 -0.648 1.236) 1.422 5.328 ( 0.271 0.648 1.236) 1.422 5.375 ( 2.421 -0.568 4.714) 5.329 5.375 ( 2.421 0.568 4.714) 5.329 5.425 ( -2.046 -0.632 -1.404) 2.561 5.425 ( -2.046 0.632 -1.404) 2.561 5.624 ( -2.678 -1.135 1.494) 3.270 5.624 ( -2.678 1.135 1.494) 3.270 5.767 ( -0.837 -1.741 0.026) 1.932 5.767 ( -0.837 1.741 0.026) 1.932 5.825 ( -2.398 -1.098 -2.131) 3.390 5.825 ( -2.398 1.098 -2.131) 3.390 6.161 ( 2.627 -0.895 -1.879) 3.352 6.161 ( 2.627 0.895 -1.879) 3.352 6.281 ( 0.902 -0.787 0.959) 1.534 6.281 ( 0.902 0.787 0.959) 1.534 6.637 ( 0.209 -0.030 -0.070) 0.222 6.637 ( 0.209 0.030 -0.070) 0.222 6.726 ( 0.016 -0.230 0.042) 0.234 6.726 ( 0.016 0.230 0.042) 0.234 7.809 ( 0.605 -0.489 0.275) 0.825 7.809 ( 0.605 0.489 0.275) 0.825 7.822 ( -0.498 -0.754 -0.287) 0.948 7.822 ( -0.498 0.754 -0.287) 0.948 7.872 ( 0.959 -0.409 0.535) 1.172 7.872 ( 0.959 0.409 0.535) 1.172 7.899 ( -0.447 -0.403 -0.482) 0.771 7.899 ( -0.447 0.403 -0.482) 0.771 8.860 ( -0.274 -0.469 0.036) 0.544 8.860 ( -0.274 0.469 0.036) 0.544 8.882 ( -0.270 -0.680 -0.071) 0.736 8.882 ( -0.270 0.680 -0.071) 0.736 9.219 ( -0.953 -0.845 1.061) 1.658 9.219 ( -0.953 0.845 1.061) 1.658 9.258 ( -1.341 -0.810 -0.535) 1.655 9.258 ( -1.341 0.810 -0.535) 1.655 9.426 ( 0.236 -1.902 0.461) 1.971 9.426 ( 0.236 1.902 0.461) 1.971 9.436 ( -0.031 -1.820 -0.201) 1.831 9.436 ( -0.031 1.820 -0.201) 1.831 9.598 ( 1.189 -1.718 0.139) 2.094 9.598 ( 1.189 1.718 0.139) 2.094 9.616 ( 1.611 -2.269 -0.210) 2.791 9.616 ( 1.611 2.269 -0.210) 2.791 9.813 ( -3.288 -1.715 -0.302) 3.721 9.813 ( -3.288 1.715 -0.302) 3.721 9.853 ( -3.599 -2.622 -0.015) 4.453 9.853 ( -3.599 2.622 -0.015) 4.453 10.076 ( 3.409 -3.545 2.628) 5.576 10.076 ( 3.409 3.545 2.628) 5.576 10.151 ( 3.984 -2.688 -1.749) 5.114 10.151 ( 3.984 2.688 -1.749) 5.114 10.334 ( -2.321 -0.559 0.258) 2.402 10.334 ( -2.321 0.559 0.258) 2.402 10.375 ( -3.495 -1.132 -0.955) 3.796 10.375 ( -3.495 1.132 -0.955) 3.796 10.688 ( 1.583 -1.697 0.965) 2.514 10.688 ( 1.583 1.697 0.965) 2.514 10.745 ( 1.598 -1.854 -0.457) 2.490 10.745 ( 1.598 1.854 -0.457) 2.490 10.878 ( -1.527 -0.472 1.028) 1.900 10.878 ( -1.527 0.472 1.028) 1.900 10.947 ( -0.041 -1.124 -0.987) 1.497 10.947 ( -0.041 1.124 -0.987) 1.497 11.191 ( 0.591 -0.865 0.642) 1.229 11.191 ( 0.591 0.865 0.642) 1.229 11.220 ( 1.499 -0.441 -1.501) 2.167 11.220 ( 1.499 0.441 -1.501) 2.167=================== 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 3/16128 10.0 178.766 231.757 117.851 0.000 10.738 0.000 3/16128 20.0 23.917 30.845 16.555 0.000 1.534 0.000 3/16128 30.0 8.697 11.497 5.889 0.000 0.551 0.000 3/16128 40.0 4.744 6.345 3.147 0.000 0.289 0.000 3/16128 50.0 3.166 4.250 2.075 0.000 0.187 0.000 3/16128 60.0 2.363 3.175 1.539 0.000 0.136 0.000 3/16128 70.0 1.889 2.535 1.226 0.000 0.106 0.000 3/16128 80.0 1.577 2.115 1.022 0.000 0.087 0.000 3/16128 90.0 1.358 1.819 0.879 0.000 0.074 0.000 3/16128 100.0 1.195 1.600 0.773 0.000 0.065 0.000 3/16128 110.0 1.069 1.431 0.691 0.000 0.057 0.000 3/16128 120.0 0.969 1.297 0.625 0.000 0.051 0.000 3/16128 130.0 0.887 1.187 0.572 0.000 0.047 0.000 3/16128 140.0 0.818 1.096 0.527 0.000 0.043 0.000 3/16128 150.0 0.760 1.018 0.490 0.000 0.040 0.000 3/16128 160.0 0.710 0.952 0.457 0.000 0.037 0.000 3/16128 170.0 0.666 0.894 0.429 0.000 0.034 0.000 3/16128 180.0 0.627 0.843 0.404 0.000 0.032 0.000 3/16128 190.0 0.593 0.797 0.382 0.000 0.030 0.000 3/16128 200.0 0.563 0.757 0.362 0.000 0.029 0.000 3/16128 210.0 0.535 0.720 0.344 0.000 0.027 0.000 3/16128 220.0 0.511 0.687 0.328 0.000 0.026 0.000 3/16128 230.0 0.488 0.657 0.313 0.000 0.025 0.000 3/16128 240.0 0.467 0.630 0.300 0.000 0.024 0.000 3/16128 250.0 0.449 0.604 0.288 0.000 0.023 0.000 3/16128 260.0 0.431 0.581 0.277 0.000 0.022 0.000 3/16128 270.0 0.415 0.559 0.266 0.000 0.021 0.000 3/16128 280.0 0.400 0.540 0.257 0.000 0.020 0.000 3/16128 290.0 0.386 0.521 0.248 0.000 0.019 0.000 3/16128 300.0 0.373 0.504 0.239 0.000 0.019 0.000 3/16128 310.0 0.361 0.487 0.232 0.000 0.018 0.000 3/16128 320.0 0.350 0.472 0.224 0.000 0.018 0.000 3/16128 330.0 0.339 0.458 0.217 0.000 0.017 0.000 3/16128 340.0 0.329 0.444 0.211 0.000 0.017 0.000 3/16128 350.0 0.320 0.432 0.205 0.000 0.016 0.000 3/16128 360.0 0.311 0.420 0.199 0.000 0.016 0.000 3/16128 370.0 0.302 0.409 0.194 0.000 0.015 0.000 3/16128 380.0 0.294 0.398 0.189 0.000 0.015 0.000 3/16128 390.0 0.287 0.388 0.184 0.000 0.014 0.000 3/16128 400.0 0.280 0.378 0.179 0.000 0.014 0.000 3/16128 410.0 0.273 0.369 0.175 0.000 0.014 0.000 3/16128 420.0 0.266 0.360 0.171 0.000 0.013 0.000 3/16128 430.0 0.260 0.352 0.167 0.000 0.013 0.000 3/16128 440.0 0.254 0.344 0.163 0.000 0.013 0.000 3/16128 450.0 0.248 0.336 0.159 0.000 0.012 0.000 3/16128 460.0 0.243 0.329 0.156 0.000 0.012 0.000 3/16128 470.0 0.238 0.322 0.152 0.000 0.012 0.000 3/16128 480.0 0.233 0.315 0.149 0.000 0.012 0.000 3/16128 490.0 0.228 0.309 0.146 0.000 0.011 0.000 3/16128 500.0 0.224 0.303 0.143 0.000 0.011 0.000 3/16128 510.0 0.219 0.297 0.140 0.000 0.011 0.000 3/16128 520.0 0.215 0.291 0.138 0.000 0.011 0.000 3/16128 530.0 0.211 0.286 0.135 0.000 0.011 0.000 3/16128 540.0 0.207 0.280 0.133 0.000 0.010 0.000 3/16128 550.0 0.203 0.275 0.130 0.000 0.010 0.000 3/16128 560.0 0.200 0.270 0.128 0.000 0.010 0.000 3/16128 570.0 0.196 0.266 0.126 0.000 0.010 0.000 3/16128 580.0 0.193 0.261 0.123 0.000 0.010 0.000 3/16128 590.0 0.189 0.257 0.121 0.000 0.009 0.000 3/16128 600.0 0.186 0.252 0.119 0.000 0.009 0.000 3/16128 610.0 0.183 0.248 0.117 0.000 0.009 0.000 3/16128 620.0 0.180 0.244 0.115 0.000 0.009 0.000 3/16128 630.0 0.177 0.240 0.114 0.000 0.009 0.000 3/16128 640.0 0.175 0.237 0.112 0.000 0.009 0.000 3/16128 650.0 0.172 0.233 0.110 0.000 0.009 0.000 3/16128 660.0 0.169 0.229 0.108 0.000 0.008 0.000 3/16128 670.0 0.167 0.226 0.107 0.000 0.008 0.000 3/16128 680.0 0.164 0.223 0.105 0.000 0.008 0.000 3/16128 690.0 0.162 0.219 0.104 0.000 0.008 0.000 3/16128 700.0 0.160 0.216 0.102 0.000 0.008 0.000 3/16128 710.0 0.157 0.213 0.101 0.000 0.008 0.000 3/16128 720.0 0.155 0.210 0.099 0.000 0.008 0.000 3/16128 730.0 0.153 0.207 0.098 0.000 0.008 0.000 3/16128 740.0 0.151 0.205 0.097 0.000 0.008 0.000 3/16128 750.0 0.149 0.202 0.095 0.000 0.007 0.000 3/16128 760.0 0.147 0.199 0.094 0.000 0.007 0.000 3/16128 770.0 0.145 0.197 0.093 0.000 0.007 0.000 3/16128 780.0 0.143 0.194 0.092 0.000 0.007 0.000 3/16128 790.0 0.142 0.192 0.091 0.000 0.007 0.000 3/16128 800.0 0.140 0.189 0.089 0.000 0.007 0.000 3/16128 810.0 0.138 0.187 0.088 0.000 0.007 0.000 3/16128 820.0 0.136 0.185 0.087 0.000 0.007 0.000 3/16128 830.0 0.135 0.182 0.086 0.000 0.007 0.000 3/16128 840.0 0.133 0.180 0.085 0.000 0.007 0.000 3/16128 850.0 0.132 0.178 0.084 0.000 0.007 0.000 3/16128 860.0 0.130 0.176 0.083 0.000 0.006 0.000 3/16128 870.0 0.128 0.174 0.082 0.000 0.006 0.000 3/16128 880.0 0.127 0.172 0.081 0.000 0.006 0.000 3/16128 890.0 0.126 0.170 0.080 0.000 0.006 0.000 3/16128 900.0 0.124 0.168 0.079 0.000 0.006 0.000 3/16128 910.0 0.123 0.166 0.079 0.000 0.006 0.000 3/16128 920.0 0.122 0.165 0.078 0.000 0.006 0.000 3/16128 930.0 0.120 0.163 0.077 0.000 0.006 0.000 3/16128 940.0 0.119 0.161 0.076 0.000 0.006 0.000 3/16128 950.0 0.118 0.159 0.075 0.000 0.006 0.000 3/16128 960.0 0.116 0.158 0.074 0.000 0.006 0.000 3/16128 970.0 0.115 0.156 0.074 0.000 0.006 0.000 3/16128 980.0 0.114 0.155 0.073 0.000 0.006 0.000 3/16128 990.0 0.113 0.153 0.072 0.000 0.006 0.000 3/16128 1000.0 0.112 0.151 0.072 0.000 0.006 0.000 3/16128Thermal conductivity related properties were written into "kappa-m483.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 03:39:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|