----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:37:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 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 6.922742440229421 0.000000000000000 0.000000000000000 b 0.000000000000000 8.162196850000001 0.000000000000000 c -2.877015971346540 0.000000000000000 9.122487922901316 Atomic positions (fractional): *1 Na 0.19321253824567 0.86066000455190 0.52935156780776 22.990 2 Na 0.19321253824567 0.63933999544810 0.02935156780776 22.990 3 Na 0.80678746175433 0.13933999544809 0.47064843219224 22.990 4 Na 0.80678746175433 0.36066000455191 0.97064843219224 22.990 *5 Al 0.72093978820279 0.72546590275522 0.50643152794306 26.982 6 Al 0.27906021179721 0.27453409724478 0.49356847205694 26.982 7 Al 0.27906021179721 0.22546590275522 0.99356847205694 26.982 8 Al 0.72093978820279 0.77453409724478 0.00643152794306 26.982 *9 As 0.94358969182323 0.96420656446867 0.79768851305861 74.922 10 As 0.94358969182323 0.53579343553133 0.29768851305861 74.922 11 As 0.05641030817677 0.03579343553133 0.20231148694139 74.922 *12 As 0.48697005852035 0.58780028016514 0.70824393075201 74.922 13 As 0.51302994147965 0.08780028016514 0.79175606924799 74.922 14 As 0.05641030817677 0.46420656446867 0.70231148694139 74.922 15 As 0.51302994147965 0.41219971983486 0.29175606924799 74.922 16 As 0.48697005852035 0.91219971983486 0.20824393075201 74.922 *17 O 0.46711503650154 0.09753655104752 0.13459836147945 15.999 *18 O 0.09791357559967 0.10634642616004 0.37440589220114 15.999 *19 O 0.23216690148850 0.62624163685749 0.71399414548924 15.999 *20 O 0.37318188608446 0.40869113385776 0.11577398647163 15.999 *21 O 0.48036403676621 0.24450177225136 0.89702648026764 15.999 22 O 0.51963596323379 0.74450177225136 0.60297351973236 15.999 23 O 0.76783309851150 0.12624163685749 0.78600585451076 15.999 *24 O 0.92936823826079 0.68168323557798 0.41778290428312 15.999 25 O 0.62681811391554 0.90869113385776 0.38422601352837 15.999 26 O 0.90208642440034 0.60634642616004 0.12559410779887 15.999 27 O 0.51963596323379 0.75549822774864 0.10297351973236 15.999 28 O 0.76783309851150 0.37375836314251 0.28600585451076 15.999 29 O 0.07063176173921 0.31831676442202 0.58221709571688 15.999 30 O 0.07063176173921 0.18168323557798 0.08221709571688 15.999 *31 O 0.16732075523854 0.44047503668856 0.35112308326476 15.999 32 O 0.92936823826079 0.81831676442202 0.91778290428312 15.999 33 O 0.09791357559967 0.39365357383996 0.87440589220113 15.999 34 O 0.23216690148850 0.87375836314251 0.21399414548924 15.999 35 O 0.83267924476146 0.55952496331144 0.64887691673524 15.999 36 O 0.37318188608446 0.09130886614224 0.61577398647163 15.999 37 O 0.53288496349846 0.90246344895248 0.86540163852055 15.999 38 O 0.16732075523854 0.05952496331144 0.85112308326476 15.999 39 O 0.83267924476146 0.94047503668856 0.14887691673524 15.999 40 O 0.90208642440034 0.89365357383996 0.62559410779887 15.999 41 O 0.46711503650154 0.40246344895248 0.63459836147945 15.999 42 O 0.62681811391554 0.59130886614224 0.88422601352837 15.999 43 O 0.48036403676621 0.25549822774864 0.39702648026764 15.999 44 O 0.53288496349846 0.59753655104752 0.36540163852055 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.922742440229421 0.000000000000000 0.000000000000000 b 0.000000000000000 8.162196850000001 0.000000000000000 c -2.877015971346540 0.000000000000000 9.122487922901316 Atomic positions (fractional): *1 Na 0.19321253824567 0.86066000455190 0.52935156780776 22.990 > 1 2 Na 0.19321253824567 0.63933999544810 0.02935156780776 22.990 > 2 3 Na 0.80678746175433 0.13933999544809 0.47064843219224 22.990 > 3 4 Na 0.80678746175433 0.36066000455191 0.97064843219224 22.990 > 4 *5 Al 0.72093978820279 0.72546590275522 0.50643152794306 26.982 > 5 6 Al 0.27906021179721 0.27453409724478 0.49356847205694 26.982 > 6 7 Al 0.27906021179721 0.22546590275522 0.99356847205694 26.982 > 7 8 Al 0.72093978820279 0.77453409724478 0.00643152794306 26.982 > 8 *9 As 0.94358969182323 0.96420656446867 0.79768851305861 74.922 > 9 10 As 0.94358969182323 0.53579343553133 0.29768851305861 74.922 > 10 11 As 0.05641030817677 0.03579343553133 0.20231148694139 74.922 > 11 *12 As 0.48697005852035 0.58780028016514 0.70824393075201 74.922 > 12 13 As 0.51302994147965 0.08780028016514 0.79175606924799 74.922 > 13 14 As 0.05641030817677 0.46420656446867 0.70231148694139 74.922 > 14 15 As 0.51302994147965 0.41219971983486 0.29175606924799 74.922 > 15 16 As 0.48697005852035 0.91219971983486 0.20824393075201 74.922 > 16 *17 O 0.46711503650154 0.09753655104752 0.13459836147945 15.999 > 17 *18 O 0.09791357559967 0.10634642616004 0.37440589220114 15.999 > 18 *19 O 0.23216690148850 0.62624163685749 0.71399414548924 15.999 > 19 *20 O 0.37318188608446 0.40869113385776 0.11577398647163 15.999 > 20 *21 O 0.48036403676621 0.24450177225136 0.89702648026764 15.999 > 21 22 O 0.51963596323379 0.74450177225136 0.60297351973236 15.999 > 22 23 O 0.76783309851150 0.12624163685749 0.78600585451076 15.999 > 23 *24 O 0.92936823826079 0.68168323557798 0.41778290428312 15.999 > 24 25 O 0.62681811391554 0.90869113385776 0.38422601352837 15.999 > 25 26 O 0.90208642440034 0.60634642616004 0.12559410779887 15.999 > 26 27 O 0.51963596323379 0.75549822774864 0.10297351973236 15.999 > 27 28 O 0.76783309851150 0.37375836314251 0.28600585451076 15.999 > 28 29 O 0.07063176173921 0.31831676442202 0.58221709571688 15.999 > 29 30 O 0.07063176173921 0.18168323557798 0.08221709571688 15.999 > 30 *31 O 0.16732075523854 0.44047503668856 0.35112308326476 15.999 > 31 32 O 0.92936823826079 0.81831676442202 0.91778290428312 15.999 > 32 33 O 0.09791357559967 0.39365357383996 0.87440589220113 15.999 > 33 34 O 0.23216690148850 0.87375836314251 0.21399414548924 15.999 > 34 35 O 0.83267924476146 0.55952496331144 0.64887691673524 15.999 > 35 36 O 0.37318188608446 0.09130886614224 0.61577398647163 15.999 > 36 37 O 0.53288496349846 0.90246344895248 0.86540163852055 15.999 > 37 38 O 0.16732075523854 0.05952496331144 0.85112308326476 15.999 > 38 39 O 0.83267924476146 0.94047503668856 0.14887691673524 15.999 > 39 40 O 0.90208642440034 0.89365357383996 0.62559410779887 15.999 > 40 41 O 0.46711503650154 0.40246344895248 0.63459836147945 15.999 > 41 42 O 0.62681811391554 0.59130886614224 0.88422601352837 15.999 > 42 43 O 0.48036403676621 0.25549822774864 0.39702648026764 15.999 > 43 44 O 0.53288496349846 0.59753655104752 0.36540163852055 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.845484880458843 0.000000000000000 0.000000000000000 b 0.000000000000000 8.162196850000001 0.000000000000000 c -2.877015971346540 0.000000000000000 9.122487922901316 Atomic positions (fractional): *1 Na 0.09660626912283 0.86066000455190 0.52935156780776 22.990 > 1 2 Na 0.59660626912283 0.86066000455190 0.52935156780776 22.990 > 1 3 Na 0.09660626912283 0.63933999544810 0.02935156780776 22.990 > 2 4 Na 0.59660626912283 0.63933999544810 0.02935156780776 22.990 > 2 5 Na 0.40339373087717 0.13933999544809 0.47064843219224 22.990 > 3 6 Na 0.90339373087717 0.13933999544809 0.47064843219224 22.990 > 3 7 Na 0.40339373087717 0.36066000455191 0.97064843219224 22.990 > 4 8 Na 0.90339373087717 0.36066000455191 0.97064843219224 22.990 > 4 *9 Al 0.36046989410140 0.72546590275522 0.50643152794306 26.982 > 5 10 Al 0.86046989410140 0.72546590275522 0.50643152794306 26.982 > 5 11 Al 0.13953010589860 0.27453409724478 0.49356847205694 26.982 > 6 12 Al 0.63953010589860 0.27453409724478 0.49356847205694 26.982 > 6 13 Al 0.13953010589860 0.22546590275522 0.99356847205694 26.982 > 7 14 Al 0.63953010589860 0.22546590275522 0.99356847205694 26.982 > 7 15 Al 0.36046989410140 0.77453409724478 0.00643152794306 26.982 > 8 16 Al 0.86046989410140 0.77453409724478 0.00643152794306 26.982 > 8 *17 As 0.47179484591161 0.96420656446867 0.79768851305861 74.922 > 9 18 As 0.97179484591161 0.96420656446867 0.79768851305861 74.922 > 9 19 As 0.47179484591161 0.53579343553133 0.29768851305861 74.922 > 10 20 As 0.97179484591161 0.53579343553133 0.29768851305861 74.922 > 10 21 As 0.02820515408839 0.03579343553133 0.20231148694139 74.922 > 11 22 As 0.52820515408839 0.03579343553133 0.20231148694139 74.922 > 11 *23 As 0.24348502926018 0.58780028016514 0.70824393075201 74.922 > 12 24 As 0.74348502926018 0.58780028016514 0.70824393075201 74.922 > 12 25 As 0.25651497073982 0.08780028016514 0.79175606924799 74.922 > 13 26 As 0.75651497073982 0.08780028016514 0.79175606924799 74.922 > 13 27 As 0.02820515408839 0.46420656446867 0.70231148694139 74.922 > 14 28 As 0.52820515408839 0.46420656446867 0.70231148694139 74.922 > 14 29 As 0.25651497073982 0.41219971983486 0.29175606924799 74.922 > 15 30 As 0.75651497073982 0.41219971983486 0.29175606924799 74.922 > 15 31 As 0.24348502926018 0.91219971983486 0.20824393075201 74.922 > 16 32 As 0.74348502926018 0.91219971983486 0.20824393075201 74.922 > 16 *33 O 0.23355751825077 0.09753655104752 0.13459836147945 15.999 > 17 34 O 0.73355751825077 0.09753655104752 0.13459836147945 15.999 > 17 *35 O 0.04895678779983 0.10634642616004 0.37440589220114 15.999 > 18 36 O 0.54895678779983 0.10634642616004 0.37440589220114 15.999 > 18 *37 O 0.11608345074425 0.62624163685749 0.71399414548924 15.999 > 19 38 O 0.61608345074425 0.62624163685749 0.71399414548924 15.999 > 19 *39 O 0.18659094304223 0.40869113385776 0.11577398647163 15.999 > 20 40 O 0.68659094304223 0.40869113385776 0.11577398647163 15.999 > 20 *41 O 0.24018201838310 0.24450177225136 0.89702648026764 15.999 > 21 42 O 0.74018201838310 0.24450177225136 0.89702648026764 15.999 > 21 43 O 0.25981798161690 0.74450177225136 0.60297351973236 15.999 > 22 44 O 0.75981798161690 0.74450177225136 0.60297351973236 15.999 > 22 45 O 0.38391654925575 0.12624163685749 0.78600585451076 15.999 > 23 46 O 0.88391654925575 0.12624163685749 0.78600585451076 15.999 > 23 *47 O 0.46468411913040 0.68168323557798 0.41778290428312 15.999 > 24 48 O 0.96468411913040 0.68168323557798 0.41778290428312 15.999 > 24 49 O 0.31340905695777 0.90869113385776 0.38422601352837 15.999 > 25 50 O 0.81340905695777 0.90869113385776 0.38422601352837 15.999 > 25 51 O 0.45104321220017 0.60634642616004 0.12559410779887 15.999 > 26 52 O 0.95104321220017 0.60634642616004 0.12559410779887 15.999 > 26 53 O 0.25981798161690 0.75549822774864 0.10297351973236 15.999 > 27 54 O 0.75981798161690 0.75549822774864 0.10297351973236 15.999 > 27 55 O 0.38391654925575 0.37375836314251 0.28600585451076 15.999 > 28 56 O 0.88391654925575 0.37375836314251 0.28600585451076 15.999 > 28 57 O 0.03531588086960 0.31831676442202 0.58221709571688 15.999 > 29 58 O 0.53531588086960 0.31831676442202 0.58221709571688 15.999 > 29 59 O 0.03531588086960 0.18168323557798 0.08221709571688 15.999 > 30 60 O 0.53531588086960 0.18168323557798 0.08221709571688 15.999 > 30 *61 O 0.08366037761927 0.44047503668856 0.35112308326476 15.999 > 31 62 O 0.58366037761927 0.44047503668856 0.35112308326476 15.999 > 31 63 O 0.46468411913040 0.81831676442202 0.91778290428312 15.999 > 32 64 O 0.96468411913040 0.81831676442202 0.91778290428312 15.999 > 32 65 O 0.04895678779983 0.39365357383996 0.87440589220113 15.999 > 33 66 O 0.54895678779983 0.39365357383996 0.87440589220113 15.999 > 33 67 O 0.11608345074425 0.87375836314251 0.21399414548924 15.999 > 34 68 O 0.61608345074425 0.87375836314251 0.21399414548924 15.999 > 34 69 O 0.41633962238073 0.55952496331144 0.64887691673524 15.999 > 35 70 O 0.91633962238073 0.55952496331144 0.64887691673524 15.999 > 35 71 O 0.18659094304223 0.09130886614224 0.61577398647163 15.999 > 36 72 O 0.68659094304223 0.09130886614224 0.61577398647163 15.999 > 36 73 O 0.26644248174923 0.90246344895248 0.86540163852055 15.999 > 37 74 O 0.76644248174923 0.90246344895248 0.86540163852055 15.999 > 37 75 O 0.08366037761927 0.05952496331144 0.85112308326476 15.999 > 38 76 O 0.58366037761927 0.05952496331144 0.85112308326476 15.999 > 38 77 O 0.41633962238073 0.94047503668856 0.14887691673524 15.999 > 39 78 O 0.91633962238073 0.94047503668856 0.14887691673524 15.999 > 39 79 O 0.45104321220017 0.89365357383996 0.62559410779887 15.999 > 40 80 O 0.95104321220017 0.89365357383996 0.62559410779887 15.999 > 40 81 O 0.23355751825077 0.40246344895248 0.63459836147945 15.999 > 41 82 O 0.73355751825077 0.40246344895248 0.63459836147945 15.999 > 41 83 O 0.31340905695777 0.59130886614224 0.88422601352837 15.999 > 42 84 O 0.81340905695777 0.59130886614224 0.88422601352837 15.999 > 42 85 O 0.24018201838310 0.25549822774864 0.39702648026764 15.999 > 43 86 O 0.74018201838310 0.25549822774864 0.39702648026764 15.999 > 43 87 O 0.26644248174923 0.59753655104752 0.36540163852055 15.999 > 44 88 O 0.76644248174923 0.59753655104752 0.36540163852055 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2503095 0.0000000 0.0070578 0.0000000 3.0584858 0.0000000 0.0070568 0.0000000 3.1715858 -------------------------- Born effective charges -------------------------- 1 Na 1.1197565 0.0668993 -0.0167044 0.0152328 1.2203358 -0.0688022 0.0598124 0.0185796 1.1733396 2 Na 1.1197565 -0.0668993 -0.0167044 -0.0152328 1.2203358 0.0688022 0.0598124 -0.0185796 1.1733396 3 Na 1.1197565 0.0668993 -0.0167044 0.0152328 1.2203358 -0.0688022 0.0598124 0.0185796 1.1733396 4 Na 1.1197565 -0.0668993 -0.0167044 -0.0152328 1.2203358 0.0688022 0.0598124 -0.0185796 1.1733396 5 Al 2.9788693 -0.5048671 0.2077268 0.3002212 3.2219497 0.0884779 -0.1151484 -0.0081717 3.8080748 6 Al 2.9788693 -0.5048671 0.2077268 0.3002212 3.2219497 0.0884779 -0.1151484 -0.0081717 3.8080748 7 Al 2.9788693 0.5048671 0.2077268 -0.3002212 3.2219497 -0.0884779 -0.1151484 0.0081717 3.8080748 8 Al 2.9788693 0.5048671 0.2077268 -0.3002212 3.2219497 -0.0884779 -0.1151484 0.0081717 3.8080748 9 As 3.7123689 -0.2381996 0.0791538 0.1651774 3.1815054 0.4850067 -0.0306610 0.2462324 3.3885351 10 As 3.7123689 0.2381996 0.0791538 -0.1651774 3.1815054 -0.4850067 -0.0306610 -0.2462324 3.3885351 11 As 3.7123689 -0.2381996 0.0791538 0.1651774 3.1815054 0.4850067 -0.0306610 0.2462324 3.3885351 12 As 4.4630599 0.2266240 -0.1679356 0.5444529 3.2172252 0.6032432 0.0526423 0.1972719 3.1554974 13 As 4.4630599 -0.2266240 -0.1679356 -0.5444529 3.2172252 -0.6032432 0.0526423 -0.1972719 3.1554974 14 As 3.7123689 0.2381996 0.0791538 -0.1651774 3.1815054 -0.4850067 -0.0306610 -0.2462324 3.3885351 15 As 4.4630599 0.2266240 -0.1679356 0.5444529 3.2172252 0.6032432 0.0526423 0.1972719 3.1554974 16 As 4.4630599 -0.2266240 -0.1679356 -0.5444529 3.2172252 -0.6032432 0.0526423 -0.1972719 3.1554974 17 O -1.3791866 0.1505774 -0.1658134 0.2605659 -1.8278491 0.4164511 -0.1949652 0.4244649 -1.4825533 18 O -1.2352582 -0.0289523 0.0175689 -0.2160947 -1.5881839 -0.6721331 -0.0688602 -0.6082312 -2.2213458 19 O -2.8871535 -0.5647723 -0.0125460 -0.5124937 -1.3566945 -0.0458758 -0.0375384 -0.0435930 -0.9603627 20 O -1.2474646 -0.1169665 -0.2619760 -0.1579231 -1.6472842 -0.5353461 -0.2789502 -0.4439388 -2.1539923 21 O -1.8646721 0.1591011 0.4134475 0.2684570 -1.5288480 -0.1833669 0.4178023 -0.2359807 -1.5388637 22 O -1.8646721 -0.1591011 0.4134475 -0.2684570 -1.5288480 0.1833669 0.4178023 0.2359807 -1.5388637 23 O -2.8871535 0.5647723 -0.0125460 0.5124937 -1.3566945 0.0458758 -0.0375384 0.0435930 -0.9603627 24 O -1.5955199 0.2691438 0.2905543 0.2781158 -1.4972270 -0.3285914 0.3879412 -0.3777221 -1.7094035 25 O -1.2474646 0.1169665 -0.2619760 0.1579231 -1.6472842 0.5353461 -0.2789502 0.4439388 -2.1539923 26 O -1.2352582 0.0289523 0.0175689 0.2160947 -1.5881839 0.6721331 -0.0688602 0.6082312 -2.2213458 27 O -1.8646721 0.1591011 0.4134475 0.2684570 -1.5288480 -0.1833669 0.4178023 -0.2359807 -1.5388637 28 O -2.8871535 -0.5647723 -0.0125460 -0.5124937 -1.3566945 -0.0458758 -0.0375384 -0.0435930 -0.9603627 29 O -1.5955199 0.2691438 0.2905543 0.2781158 -1.4972270 -0.3285914 0.3879412 -0.3777221 -1.7094035 30 O -1.5955199 -0.2691438 0.2905543 -0.2781158 -1.4972270 0.3285914 0.3879412 0.3777221 -1.7094035 31 O -2.0647998 0.6358066 -0.3834759 0.4435920 -1.3949294 0.3675854 -0.1920748 0.4024377 -1.4589256 32 O -1.5955199 -0.2691438 0.2905543 -0.2781158 -1.4972270 0.3285914 0.3879412 0.3777221 -1.7094035 33 O -1.2352582 0.0289523 0.0175689 0.2160947 -1.5881839 0.6721331 -0.0688602 0.6082312 -2.2213458 34 O -2.8871535 0.5647723 -0.0125460 0.5124937 -1.3566945 0.0458758 -0.0375384 0.0435930 -0.9603627 35 O -2.0647998 0.6358066 -0.3834759 0.4435920 -1.3949294 0.3675854 -0.1920748 0.4024377 -1.4589256 36 O -1.2474646 0.1169665 -0.2619760 0.1579231 -1.6472842 0.5353461 -0.2789502 0.4439388 -2.1539923 37 O -1.3791866 0.1505774 -0.1658134 0.2605659 -1.8278491 0.4164511 -0.1949652 0.4244649 -1.4825533 38 O -2.0647998 -0.6358066 -0.3834759 -0.4435920 -1.3949294 -0.3675854 -0.1920748 -0.4024377 -1.4589256 39 O -2.0647998 -0.6358066 -0.3834759 -0.4435920 -1.3949294 -0.3675854 -0.1920748 -0.4024377 -1.4589256 40 O -1.2352582 -0.0289523 0.0175689 -0.2160947 -1.5881839 -0.6721331 -0.0688602 -0.6082312 -2.2213458 41 O -1.3791866 -0.1505774 -0.1658134 -0.2605659 -1.8278491 -0.4164511 -0.1949652 -0.4244649 -1.4825533 42 O -1.2474646 -0.1169665 -0.2619760 -0.1579231 -1.6472842 -0.5353461 -0.2789502 -0.4439388 -2.1539923 43 O -1.8646721 -0.1591011 0.4134475 -0.2684570 -1.5288480 0.1833669 0.4178023 0.2359807 -1.5388637 44 O -1.3791866 -0.1505774 -0.1658134 -0.2605659 -1.8278491 -0.4164511 -0.1949652 -0.4244649 -1.4825533 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 0.970 Solver_block: 200 / 1360 - Time: 0.826 Solver_block: 300 / 1360 - Time: 0.833 Solver_block: 400 / 1360 - Time: 0.839 Solver_block: 500 / 1360 - Time: 0.819 Solver_block: 600 / 1360 - Time: 0.829 Solver_block: 700 / 1360 - Time: 0.827 Solver_block: 800 / 1360 - Time: 0.827 Solver_block: 900 / 1360 - Time: 0.830 Solver_block: 1000 / 1360 - Time: 0.808 Solver_block: 1100 / 1360 - Time: 0.825 Solver_block: 1200 / 1360 - Time: 0.826 Solver_block: 1300 / 1360 - Time: 0.828 Solver_block: 1360 / 1360 - Time: 0.560 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.776 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:38:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:38:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.922742440229421 0.000000000000000 0.000000000000000 b 0.000000000000000 8.162196850000001 0.000000000000000 c -2.877015971346540 0.000000000000000 9.122487922901316 Atomic positions (fractional): 1 Na 0.19321253824567 0.86066000455190 0.52935156780776 22.990 2 Na 0.19321253824567 0.63933999544810 0.02935156780776 22.990 3 Na 0.80678746175433 0.13933999544809 0.47064843219224 22.990 4 Na 0.80678746175433 0.36066000455191 0.97064843219224 22.990 5 Al 0.72093978820279 0.72546590275522 0.50643152794306 26.982 6 Al 0.27906021179721 0.27453409724478 0.49356847205694 26.982 7 Al 0.27906021179721 0.22546590275522 0.99356847205694 26.982 8 Al 0.72093978820279 0.77453409724478 0.00643152794306 26.982 9 As 0.94358969182323 0.96420656446867 0.79768851305861 74.922 10 As 0.94358969182323 0.53579343553133 0.29768851305861 74.922 11 As 0.05641030817677 0.03579343553133 0.20231148694139 74.922 12 As 0.48697005852035 0.58780028016514 0.70824393075201 74.922 13 As 0.51302994147965 0.08780028016514 0.79175606924799 74.922 14 As 0.05641030817677 0.46420656446867 0.70231148694139 74.922 15 As 0.51302994147965 0.41219971983486 0.29175606924799 74.922 16 As 0.48697005852035 0.91219971983486 0.20824393075201 74.922 17 O 0.46711503650154 0.09753655104752 0.13459836147945 15.999 18 O 0.09791357559967 0.10634642616004 0.37440589220114 15.999 19 O 0.23216690148850 0.62624163685749 0.71399414548924 15.999 20 O 0.37318188608446 0.40869113385776 0.11577398647163 15.999 21 O 0.48036403676621 0.24450177225136 0.89702648026764 15.999 22 O 0.51963596323379 0.74450177225136 0.60297351973236 15.999 23 O 0.76783309851150 0.12624163685749 0.78600585451076 15.999 24 O 0.92936823826079 0.68168323557798 0.41778290428312 15.999 25 O 0.62681811391554 0.90869113385776 0.38422601352837 15.999 26 O 0.90208642440034 0.60634642616004 0.12559410779887 15.999 27 O 0.51963596323379 0.75549822774864 0.10297351973236 15.999 28 O 0.76783309851150 0.37375836314251 0.28600585451076 15.999 29 O 0.07063176173921 0.31831676442202 0.58221709571688 15.999 30 O 0.07063176173921 0.18168323557798 0.08221709571688 15.999 31 O 0.16732075523854 0.44047503668856 0.35112308326476 15.999 32 O 0.92936823826079 0.81831676442202 0.91778290428312 15.999 33 O 0.09791357559967 0.39365357383996 0.87440589220113 15.999 34 O 0.23216690148850 0.87375836314251 0.21399414548924 15.999 35 O 0.83267924476146 0.55952496331144 0.64887691673524 15.999 36 O 0.37318188608446 0.09130886614224 0.61577398647163 15.999 37 O 0.53288496349846 0.90246344895248 0.86540163852055 15.999 38 O 0.16732075523854 0.05952496331144 0.85112308326476 15.999 39 O 0.83267924476146 0.94047503668856 0.14887691673524 15.999 40 O 0.90208642440034 0.89365357383996 0.62559410779887 15.999 41 O 0.46711503650154 0.40246344895248 0.63459836147945 15.999 42 O 0.62681811391554 0.59130886614224 0.88422601352837 15.999 43 O 0.48036403676621 0.25549822774864 0.39702648026764 15.999 44 O 0.53288496349846 0.59753655104752 0.36540163852055 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.845484880458843 0.000000000000000 0.000000000000000 b 0.000000000000000 8.162196850000001 0.000000000000000 c -2.877015971346540 0.000000000000000 9.122487922901316 Atomic positions (fractional): 1 Na 0.09660626912283 0.86066000455190 0.52935156780776 22.990 > 1 2 Na 0.59660626912283 0.86066000455190 0.52935156780776 22.990 > 1 3 Na 0.09660626912283 0.63933999544810 0.02935156780776 22.990 > 3 4 Na 0.59660626912283 0.63933999544810 0.02935156780776 22.990 > 3 5 Na 0.40339373087717 0.13933999544809 0.47064843219224 22.990 > 5 6 Na 0.90339373087717 0.13933999544809 0.47064843219224 22.990 > 5 7 Na 0.40339373087717 0.36066000455191 0.97064843219224 22.990 > 7 8 Na 0.90339373087717 0.36066000455191 0.97064843219224 22.990 > 7 9 Al 0.36046989410140 0.72546590275522 0.50643152794306 26.982 > 9 10 Al 0.86046989410140 0.72546590275522 0.50643152794306 26.982 > 9 11 Al 0.13953010589860 0.27453409724478 0.49356847205694 26.982 > 11 12 Al 0.63953010589860 0.27453409724478 0.49356847205694 26.982 > 11 13 Al 0.13953010589860 0.22546590275522 0.99356847205694 26.982 > 13 14 Al 0.63953010589860 0.22546590275522 0.99356847205694 26.982 > 13 15 Al 0.36046989410140 0.77453409724478 0.00643152794306 26.982 > 15 16 Al 0.86046989410140 0.77453409724478 0.00643152794306 26.982 > 15 17 As 0.47179484591161 0.96420656446867 0.79768851305861 74.922 > 17 18 As 0.97179484591161 0.96420656446867 0.79768851305861 74.922 > 17 19 As 0.47179484591161 0.53579343553133 0.29768851305861 74.922 > 19 20 As 0.97179484591161 0.53579343553133 0.29768851305861 74.922 > 19 21 As 0.02820515408839 0.03579343553133 0.20231148694139 74.922 > 21 22 As 0.52820515408839 0.03579343553133 0.20231148694139 74.922 > 21 23 As 0.24348502926018 0.58780028016514 0.70824393075201 74.922 > 23 24 As 0.74348502926018 0.58780028016514 0.70824393075201 74.922 > 23 25 As 0.25651497073982 0.08780028016514 0.79175606924799 74.922 > 25 26 As 0.75651497073982 0.08780028016514 0.79175606924799 74.922 > 25 27 As 0.02820515408839 0.46420656446867 0.70231148694139 74.922 > 27 28 As 0.52820515408839 0.46420656446867 0.70231148694139 74.922 > 27 29 As 0.25651497073982 0.41219971983486 0.29175606924799 74.922 > 29 30 As 0.75651497073982 0.41219971983486 0.29175606924799 74.922 > 29 31 As 0.24348502926018 0.91219971983486 0.20824393075201 74.922 > 31 32 As 0.74348502926018 0.91219971983486 0.20824393075201 74.922 > 31 33 O 0.23355751825077 0.09753655104752 0.13459836147945 15.999 > 33 34 O 0.73355751825077 0.09753655104752 0.13459836147945 15.999 > 33 35 O 0.04895678779983 0.10634642616004 0.37440589220114 15.999 > 35 36 O 0.54895678779983 0.10634642616004 0.37440589220114 15.999 > 35 37 O 0.11608345074425 0.62624163685749 0.71399414548924 15.999 > 37 38 O 0.61608345074425 0.62624163685749 0.71399414548924 15.999 > 37 39 O 0.18659094304223 0.40869113385776 0.11577398647163 15.999 > 39 40 O 0.68659094304223 0.40869113385776 0.11577398647163 15.999 > 39 41 O 0.24018201838310 0.24450177225136 0.89702648026764 15.999 > 41 42 O 0.74018201838310 0.24450177225136 0.89702648026764 15.999 > 41 43 O 0.25981798161690 0.74450177225136 0.60297351973236 15.999 > 43 44 O 0.75981798161690 0.74450177225136 0.60297351973236 15.999 > 43 45 O 0.38391654925575 0.12624163685749 0.78600585451076 15.999 > 45 46 O 0.88391654925575 0.12624163685749 0.78600585451076 15.999 > 45 47 O 0.46468411913040 0.68168323557798 0.41778290428312 15.999 > 47 48 O 0.96468411913040 0.68168323557798 0.41778290428312 15.999 > 47 49 O 0.31340905695777 0.90869113385776 0.38422601352837 15.999 > 49 50 O 0.81340905695777 0.90869113385776 0.38422601352837 15.999 > 49 51 O 0.45104321220017 0.60634642616004 0.12559410779887 15.999 > 51 52 O 0.95104321220017 0.60634642616004 0.12559410779887 15.999 > 51 53 O 0.25981798161690 0.75549822774864 0.10297351973236 15.999 > 53 54 O 0.75981798161690 0.75549822774864 0.10297351973236 15.999 > 53 55 O 0.38391654925575 0.37375836314251 0.28600585451076 15.999 > 55 56 O 0.88391654925575 0.37375836314251 0.28600585451076 15.999 > 55 57 O 0.03531588086960 0.31831676442202 0.58221709571688 15.999 > 57 58 O 0.53531588086960 0.31831676442202 0.58221709571688 15.999 > 57 59 O 0.03531588086960 0.18168323557798 0.08221709571688 15.999 > 59 60 O 0.53531588086960 0.18168323557798 0.08221709571688 15.999 > 59 61 O 0.08366037761927 0.44047503668856 0.35112308326476 15.999 > 61 62 O 0.58366037761927 0.44047503668856 0.35112308326476 15.999 > 61 63 O 0.46468411913040 0.81831676442202 0.91778290428312 15.999 > 63 64 O 0.96468411913040 0.81831676442202 0.91778290428312 15.999 > 63 65 O 0.04895678779983 0.39365357383996 0.87440589220113 15.999 > 65 66 O 0.54895678779983 0.39365357383996 0.87440589220113 15.999 > 65 67 O 0.11608345074425 0.87375836314251 0.21399414548924 15.999 > 67 68 O 0.61608345074425 0.87375836314251 0.21399414548924 15.999 > 67 69 O 0.41633962238073 0.55952496331144 0.64887691673524 15.999 > 69 70 O 0.91633962238073 0.55952496331144 0.64887691673524 15.999 > 69 71 O 0.18659094304223 0.09130886614224 0.61577398647163 15.999 > 71 72 O 0.68659094304223 0.09130886614224 0.61577398647163 15.999 > 71 73 O 0.26644248174923 0.90246344895248 0.86540163852055 15.999 > 73 74 O 0.76644248174923 0.90246344895248 0.86540163852055 15.999 > 73 75 O 0.08366037761927 0.05952496331144 0.85112308326476 15.999 > 75 76 O 0.58366037761927 0.05952496331144 0.85112308326476 15.999 > 75 77 O 0.41633962238073 0.94047503668856 0.14887691673524 15.999 > 77 78 O 0.91633962238073 0.94047503668856 0.14887691673524 15.999 > 77 79 O 0.45104321220017 0.89365357383996 0.62559410779887 15.999 > 79 80 O 0.95104321220017 0.89365357383996 0.62559410779887 15.999 > 79 81 O 0.23355751825077 0.40246344895248 0.63459836147945 15.999 > 81 82 O 0.73355751825077 0.40246344895248 0.63459836147945 15.999 > 81 83 O 0.31340905695777 0.59130886614224 0.88422601352837 15.999 > 83 84 O 0.81340905695777 0.59130886614224 0.88422601352837 15.999 > 83 85 O 0.24018201838310 0.25549822774864 0.39702648026764 15.999 > 85 86 O 0.74018201838310 0.25549822774864 0.39702648026764 15.999 > 85 87 O 0.26644248174923 0.59753655104752 0.36540163852055 15.999 > 87 88 O 0.76644248174923 0.59753655104752 0.36540163852055 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2503095 0.0000000 0.0070578 0.0000000 3.0584858 0.0000000 0.0070568 0.0000000 3.1715858 -------------------------- Born effective charges -------------------------- 1 Na 1.1197565 0.0668993 -0.0167044 0.0152328 1.2203358 -0.0688022 0.0598124 0.0185796 1.1733396 2 Na 1.1197565 -0.0668993 -0.0167044 -0.0152328 1.2203358 0.0688022 0.0598124 -0.0185796 1.1733396 3 Na 1.1197565 0.0668993 -0.0167044 0.0152328 1.2203358 -0.0688022 0.0598124 0.0185796 1.1733396 4 Na 1.1197565 -0.0668993 -0.0167044 -0.0152328 1.2203358 0.0688022 0.0598124 -0.0185796 1.1733396 5 Al 2.9788693 -0.5048671 0.2077268 0.3002212 3.2219497 0.0884779 -0.1151484 -0.0081717 3.8080748 6 Al 2.9788693 -0.5048671 0.2077268 0.3002212 3.2219497 0.0884779 -0.1151484 -0.0081717 3.8080748 7 Al 2.9788693 0.5048671 0.2077268 -0.3002212 3.2219497 -0.0884779 -0.1151484 0.0081717 3.8080748 8 Al 2.9788693 0.5048671 0.2077268 -0.3002212 3.2219497 -0.0884779 -0.1151484 0.0081717 3.8080748 9 As 3.7123689 -0.2381996 0.0791538 0.1651774 3.1815054 0.4850067 -0.0306610 0.2462324 3.3885351 10 As 3.7123689 0.2381996 0.0791538 -0.1651774 3.1815054 -0.4850067 -0.0306610 -0.2462324 3.3885351 11 As 3.7123689 -0.2381996 0.0791538 0.1651774 3.1815054 0.4850067 -0.0306610 0.2462324 3.3885351 12 As 4.4630599 0.2266240 -0.1679356 0.5444529 3.2172252 0.6032432 0.0526423 0.1972719 3.1554974 13 As 4.4630599 -0.2266240 -0.1679356 -0.5444529 3.2172252 -0.6032432 0.0526423 -0.1972719 3.1554974 14 As 3.7123689 0.2381996 0.0791538 -0.1651774 3.1815054 -0.4850067 -0.0306610 -0.2462324 3.3885351 15 As 4.4630599 0.2266240 -0.1679356 0.5444529 3.2172252 0.6032432 0.0526423 0.1972719 3.1554974 16 As 4.4630599 -0.2266240 -0.1679356 -0.5444529 3.2172252 -0.6032432 0.0526423 -0.1972719 3.1554974 17 O -1.3791866 0.1505774 -0.1658134 0.2605659 -1.8278491 0.4164511 -0.1949652 0.4244649 -1.4825533 18 O -1.2352582 -0.0289523 0.0175689 -0.2160947 -1.5881839 -0.6721331 -0.0688602 -0.6082312 -2.2213458 19 O -2.8871535 -0.5647723 -0.0125460 -0.5124937 -1.3566945 -0.0458758 -0.0375384 -0.0435930 -0.9603627 20 O -1.2474646 -0.1169665 -0.2619760 -0.1579231 -1.6472842 -0.5353461 -0.2789502 -0.4439388 -2.1539923 21 O -1.8646721 0.1591011 0.4134475 0.2684570 -1.5288480 -0.1833669 0.4178023 -0.2359807 -1.5388637 22 O -1.8646721 -0.1591011 0.4134475 -0.2684570 -1.5288480 0.1833669 0.4178023 0.2359807 -1.5388637 23 O -2.8871535 0.5647723 -0.0125460 0.5124937 -1.3566945 0.0458758 -0.0375384 0.0435930 -0.9603627 24 O -1.5955199 0.2691438 0.2905543 0.2781158 -1.4972270 -0.3285914 0.3879412 -0.3777221 -1.7094035 25 O -1.2474646 0.1169665 -0.2619760 0.1579231 -1.6472842 0.5353461 -0.2789502 0.4439388 -2.1539923 26 O -1.2352582 0.0289523 0.0175689 0.2160947 -1.5881839 0.6721331 -0.0688602 0.6082312 -2.2213458 27 O -1.8646721 0.1591011 0.4134475 0.2684570 -1.5288480 -0.1833669 0.4178023 -0.2359807 -1.5388637 28 O -2.8871535 -0.5647723 -0.0125460 -0.5124937 -1.3566945 -0.0458758 -0.0375384 -0.0435930 -0.9603627 29 O -1.5955199 0.2691438 0.2905543 0.2781158 -1.4972270 -0.3285914 0.3879412 -0.3777221 -1.7094035 30 O -1.5955199 -0.2691438 0.2905543 -0.2781158 -1.4972270 0.3285914 0.3879412 0.3777221 -1.7094035 31 O -2.0647998 0.6358066 -0.3834759 0.4435920 -1.3949294 0.3675854 -0.1920748 0.4024377 -1.4589256 32 O -1.5955199 -0.2691438 0.2905543 -0.2781158 -1.4972270 0.3285914 0.3879412 0.3777221 -1.7094035 33 O -1.2352582 0.0289523 0.0175689 0.2160947 -1.5881839 0.6721331 -0.0688602 0.6082312 -2.2213458 34 O -2.8871535 0.5647723 -0.0125460 0.5124937 -1.3566945 0.0458758 -0.0375384 0.0435930 -0.9603627 35 O -2.0647998 0.6358066 -0.3834759 0.4435920 -1.3949294 0.3675854 -0.1920748 0.4024377 -1.4589256 36 O -1.2474646 0.1169665 -0.2619760 0.1579231 -1.6472842 0.5353461 -0.2789502 0.4439388 -2.1539923 37 O -1.3791866 0.1505774 -0.1658134 0.2605659 -1.8278491 0.4164511 -0.1949652 0.4244649 -1.4825533 38 O -2.0647998 -0.6358066 -0.3834759 -0.4435920 -1.3949294 -0.3675854 -0.1920748 -0.4024377 -1.4589256 39 O -2.0647998 -0.6358066 -0.3834759 -0.4435920 -1.3949294 -0.3675854 -0.1920748 -0.4024377 -1.4589256 40 O -1.2352582 -0.0289523 0.0175689 -0.2160947 -1.5881839 -0.6721331 -0.0688602 -0.6082312 -2.2213458 41 O -1.3791866 -0.1505774 -0.1658134 -0.2605659 -1.8278491 -0.4164511 -0.1949652 -0.4244649 -1.4825533 42 O -1.2474646 -0.1169665 -0.2619760 -0.1579231 -1.6472842 -0.5353461 -0.2789502 -0.4439388 -2.1539923 43 O -1.8646721 -0.1591011 0.4134475 -0.2684570 -1.5288480 0.1833669 0.4178023 0.2359807 -1.5388637 44 O -1.3791866 -0.1505774 -0.1658134 -0.2605659 -1.8278491 -0.4164511 -0.1949652 -0.4244649 -1.4825533 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 35, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 39, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 61, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:38:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:38:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.922742440229421 0.000000000000000 0.000000000000000 b 0.000000000000000 8.162196850000001 0.000000000000000 c -2.877015971346540 0.000000000000000 9.122487922901316 Atomic positions (fractional): 1 Na 0.19321253824567 0.86066000455190 0.52935156780776 22.990 2 Na 0.19321253824567 0.63933999544810 0.02935156780776 22.990 3 Na 0.80678746175433 0.13933999544809 0.47064843219224 22.990 4 Na 0.80678746175433 0.36066000455191 0.97064843219224 22.990 5 Al 0.72093978820279 0.72546590275522 0.50643152794306 26.982 6 Al 0.27906021179721 0.27453409724478 0.49356847205694 26.982 7 Al 0.27906021179721 0.22546590275522 0.99356847205694 26.982 8 Al 0.72093978820279 0.77453409724478 0.00643152794306 26.982 9 As 0.94358969182323 0.96420656446867 0.79768851305861 74.922 10 As 0.94358969182323 0.53579343553133 0.29768851305861 74.922 11 As 0.05641030817677 0.03579343553133 0.20231148694139 74.922 12 As 0.48697005852035 0.58780028016514 0.70824393075201 74.922 13 As 0.51302994147965 0.08780028016514 0.79175606924799 74.922 14 As 0.05641030817677 0.46420656446867 0.70231148694139 74.922 15 As 0.51302994147965 0.41219971983486 0.29175606924799 74.922 16 As 0.48697005852035 0.91219971983486 0.20824393075201 74.922 17 O 0.46711503650154 0.09753655104752 0.13459836147945 15.999 18 O 0.09791357559967 0.10634642616004 0.37440589220114 15.999 19 O 0.23216690148850 0.62624163685749 0.71399414548924 15.999 20 O 0.37318188608446 0.40869113385776 0.11577398647163 15.999 21 O 0.48036403676621 0.24450177225136 0.89702648026764 15.999 22 O 0.51963596323379 0.74450177225136 0.60297351973236 15.999 23 O 0.76783309851150 0.12624163685749 0.78600585451076 15.999 24 O 0.92936823826079 0.68168323557798 0.41778290428312 15.999 25 O 0.62681811391554 0.90869113385776 0.38422601352837 15.999 26 O 0.90208642440034 0.60634642616004 0.12559410779887 15.999 27 O 0.51963596323379 0.75549822774864 0.10297351973236 15.999 28 O 0.76783309851150 0.37375836314251 0.28600585451076 15.999 29 O 0.07063176173921 0.31831676442202 0.58221709571688 15.999 30 O 0.07063176173921 0.18168323557798 0.08221709571688 15.999 31 O 0.16732075523854 0.44047503668856 0.35112308326476 15.999 32 O 0.92936823826079 0.81831676442202 0.91778290428312 15.999 33 O 0.09791357559967 0.39365357383996 0.87440589220113 15.999 34 O 0.23216690148850 0.87375836314251 0.21399414548924 15.999 35 O 0.83267924476146 0.55952496331144 0.64887691673524 15.999 36 O 0.37318188608446 0.09130886614224 0.61577398647163 15.999 37 O 0.53288496349846 0.90246344895248 0.86540163852055 15.999 38 O 0.16732075523854 0.05952496331144 0.85112308326476 15.999 39 O 0.83267924476146 0.94047503668856 0.14887691673524 15.999 40 O 0.90208642440034 0.89365357383996 0.62559410779887 15.999 41 O 0.46711503650154 0.40246344895248 0.63459836147945 15.999 42 O 0.62681811391554 0.59130886614224 0.88422601352837 15.999 43 O 0.48036403676621 0.25549822774864 0.39702648026764 15.999 44 O 0.53288496349846 0.59753655104752 0.36540163852055 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.845484880458843 0.000000000000000 0.000000000000000 b 0.000000000000000 8.162196850000001 0.000000000000000 c -2.877015971346540 0.000000000000000 9.122487922901316 Atomic positions (fractional): 1 Na 0.09660626912283 0.86066000455190 0.52935156780776 22.990 > 1 2 Na 0.59660626912283 0.86066000455190 0.52935156780776 22.990 > 1 3 Na 0.09660626912283 0.63933999544810 0.02935156780776 22.990 > 3 4 Na 0.59660626912283 0.63933999544810 0.02935156780776 22.990 > 3 5 Na 0.40339373087717 0.13933999544809 0.47064843219224 22.990 > 5 6 Na 0.90339373087717 0.13933999544809 0.47064843219224 22.990 > 5 7 Na 0.40339373087717 0.36066000455191 0.97064843219224 22.990 > 7 8 Na 0.90339373087717 0.36066000455191 0.97064843219224 22.990 > 7 9 Al 0.36046989410140 0.72546590275522 0.50643152794306 26.982 > 9 10 Al 0.86046989410140 0.72546590275522 0.50643152794306 26.982 > 9 11 Al 0.13953010589860 0.27453409724478 0.49356847205694 26.982 > 11 12 Al 0.63953010589860 0.27453409724478 0.49356847205694 26.982 > 11 13 Al 0.13953010589860 0.22546590275522 0.99356847205694 26.982 > 13 14 Al 0.63953010589860 0.22546590275522 0.99356847205694 26.982 > 13 15 Al 0.36046989410140 0.77453409724478 0.00643152794306 26.982 > 15 16 Al 0.86046989410140 0.77453409724478 0.00643152794306 26.982 > 15 17 As 0.47179484591161 0.96420656446867 0.79768851305861 74.922 > 17 18 As 0.97179484591161 0.96420656446867 0.79768851305861 74.922 > 17 19 As 0.47179484591161 0.53579343553133 0.29768851305861 74.922 > 19 20 As 0.97179484591161 0.53579343553133 0.29768851305861 74.922 > 19 21 As 0.02820515408839 0.03579343553133 0.20231148694139 74.922 > 21 22 As 0.52820515408839 0.03579343553133 0.20231148694139 74.922 > 21 23 As 0.24348502926018 0.58780028016514 0.70824393075201 74.922 > 23 24 As 0.74348502926018 0.58780028016514 0.70824393075201 74.922 > 23 25 As 0.25651497073982 0.08780028016514 0.79175606924799 74.922 > 25 26 As 0.75651497073982 0.08780028016514 0.79175606924799 74.922 > 25 27 As 0.02820515408839 0.46420656446867 0.70231148694139 74.922 > 27 28 As 0.52820515408839 0.46420656446867 0.70231148694139 74.922 > 27 29 As 0.25651497073982 0.41219971983486 0.29175606924799 74.922 > 29 30 As 0.75651497073982 0.41219971983486 0.29175606924799 74.922 > 29 31 As 0.24348502926018 0.91219971983486 0.20824393075201 74.922 > 31 32 As 0.74348502926018 0.91219971983486 0.20824393075201 74.922 > 31 33 O 0.23355751825077 0.09753655104752 0.13459836147945 15.999 > 33 34 O 0.73355751825077 0.09753655104752 0.13459836147945 15.999 > 33 35 O 0.04895678779983 0.10634642616004 0.37440589220114 15.999 > 35 36 O 0.54895678779983 0.10634642616004 0.37440589220114 15.999 > 35 37 O 0.11608345074425 0.62624163685749 0.71399414548924 15.999 > 37 38 O 0.61608345074425 0.62624163685749 0.71399414548924 15.999 > 37 39 O 0.18659094304223 0.40869113385776 0.11577398647163 15.999 > 39 40 O 0.68659094304223 0.40869113385776 0.11577398647163 15.999 > 39 41 O 0.24018201838310 0.24450177225136 0.89702648026764 15.999 > 41 42 O 0.74018201838310 0.24450177225136 0.89702648026764 15.999 > 41 43 O 0.25981798161690 0.74450177225136 0.60297351973236 15.999 > 43 44 O 0.75981798161690 0.74450177225136 0.60297351973236 15.999 > 43 45 O 0.38391654925575 0.12624163685749 0.78600585451076 15.999 > 45 46 O 0.88391654925575 0.12624163685749 0.78600585451076 15.999 > 45 47 O 0.46468411913040 0.68168323557798 0.41778290428312 15.999 > 47 48 O 0.96468411913040 0.68168323557798 0.41778290428312 15.999 > 47 49 O 0.31340905695777 0.90869113385776 0.38422601352837 15.999 > 49 50 O 0.81340905695777 0.90869113385776 0.38422601352837 15.999 > 49 51 O 0.45104321220017 0.60634642616004 0.12559410779887 15.999 > 51 52 O 0.95104321220017 0.60634642616004 0.12559410779887 15.999 > 51 53 O 0.25981798161690 0.75549822774864 0.10297351973236 15.999 > 53 54 O 0.75981798161690 0.75549822774864 0.10297351973236 15.999 > 53 55 O 0.38391654925575 0.37375836314251 0.28600585451076 15.999 > 55 56 O 0.88391654925575 0.37375836314251 0.28600585451076 15.999 > 55 57 O 0.03531588086960 0.31831676442202 0.58221709571688 15.999 > 57 58 O 0.53531588086960 0.31831676442202 0.58221709571688 15.999 > 57 59 O 0.03531588086960 0.18168323557798 0.08221709571688 15.999 > 59 60 O 0.53531588086960 0.18168323557798 0.08221709571688 15.999 > 59 61 O 0.08366037761927 0.44047503668856 0.35112308326476 15.999 > 61 62 O 0.58366037761927 0.44047503668856 0.35112308326476 15.999 > 61 63 O 0.46468411913040 0.81831676442202 0.91778290428312 15.999 > 63 64 O 0.96468411913040 0.81831676442202 0.91778290428312 15.999 > 63 65 O 0.04895678779983 0.39365357383996 0.87440589220113 15.999 > 65 66 O 0.54895678779983 0.39365357383996 0.87440589220113 15.999 > 65 67 O 0.11608345074425 0.87375836314251 0.21399414548924 15.999 > 67 68 O 0.61608345074425 0.87375836314251 0.21399414548924 15.999 > 67 69 O 0.41633962238073 0.55952496331144 0.64887691673524 15.999 > 69 70 O 0.91633962238073 0.55952496331144 0.64887691673524 15.999 > 69 71 O 0.18659094304223 0.09130886614224 0.61577398647163 15.999 > 71 72 O 0.68659094304223 0.09130886614224 0.61577398647163 15.999 > 71 73 O 0.26644248174923 0.90246344895248 0.86540163852055 15.999 > 73 74 O 0.76644248174923 0.90246344895248 0.86540163852055 15.999 > 73 75 O 0.08366037761927 0.05952496331144 0.85112308326476 15.999 > 75 76 O 0.58366037761927 0.05952496331144 0.85112308326476 15.999 > 75 77 O 0.41633962238073 0.94047503668856 0.14887691673524 15.999 > 77 78 O 0.91633962238073 0.94047503668856 0.14887691673524 15.999 > 77 79 O 0.45104321220017 0.89365357383996 0.62559410779887 15.999 > 79 80 O 0.95104321220017 0.89365357383996 0.62559410779887 15.999 > 79 81 O 0.23355751825077 0.40246344895248 0.63459836147945 15.999 > 81 82 O 0.73355751825077 0.40246344895248 0.63459836147945 15.999 > 81 83 O 0.31340905695777 0.59130886614224 0.88422601352837 15.999 > 83 84 O 0.81340905695777 0.59130886614224 0.88422601352837 15.999 > 83 85 O 0.24018201838310 0.25549822774864 0.39702648026764 15.999 > 85 86 O 0.74018201838310 0.25549822774864 0.39702648026764 15.999 > 85 87 O 0.26644248174923 0.59753655104752 0.36540163852055 15.999 > 87 88 O 0.76644248174923 0.59753655104752 0.36540163852055 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2503095 0.0000000 0.0070578 0.0000000 3.0584858 0.0000000 0.0070568 0.0000000 3.1715858 -------------------------- Born effective charges -------------------------- 1 Na 1.1197565 0.0668993 -0.0167044 0.0152328 1.2203358 -0.0688022 0.0598124 0.0185796 1.1733396 2 Na 1.1197565 -0.0668993 -0.0167044 -0.0152328 1.2203358 0.0688022 0.0598124 -0.0185796 1.1733396 3 Na 1.1197565 0.0668993 -0.0167044 0.0152328 1.2203358 -0.0688022 0.0598124 0.0185796 1.1733396 4 Na 1.1197565 -0.0668993 -0.0167044 -0.0152328 1.2203358 0.0688022 0.0598124 -0.0185796 1.1733396 5 Al 2.9788693 -0.5048671 0.2077268 0.3002212 3.2219497 0.0884779 -0.1151484 -0.0081717 3.8080748 6 Al 2.9788693 -0.5048671 0.2077268 0.3002212 3.2219497 0.0884779 -0.1151484 -0.0081717 3.8080748 7 Al 2.9788693 0.5048671 0.2077268 -0.3002212 3.2219497 -0.0884779 -0.1151484 0.0081717 3.8080748 8 Al 2.9788693 0.5048671 0.2077268 -0.3002212 3.2219497 -0.0884779 -0.1151484 0.0081717 3.8080748 9 As 3.7123689 -0.2381996 0.0791538 0.1651774 3.1815054 0.4850067 -0.0306610 0.2462324 3.3885351 10 As 3.7123689 0.2381996 0.0791538 -0.1651774 3.1815054 -0.4850067 -0.0306610 -0.2462324 3.3885351 11 As 3.7123689 -0.2381996 0.0791538 0.1651774 3.1815054 0.4850067 -0.0306610 0.2462324 3.3885351 12 As 4.4630599 0.2266240 -0.1679356 0.5444529 3.2172252 0.6032432 0.0526423 0.1972719 3.1554974 13 As 4.4630599 -0.2266240 -0.1679356 -0.5444529 3.2172252 -0.6032432 0.0526423 -0.1972719 3.1554974 14 As 3.7123689 0.2381996 0.0791538 -0.1651774 3.1815054 -0.4850067 -0.0306610 -0.2462324 3.3885351 15 As 4.4630599 0.2266240 -0.1679356 0.5444529 3.2172252 0.6032432 0.0526423 0.1972719 3.1554974 16 As 4.4630599 -0.2266240 -0.1679356 -0.5444529 3.2172252 -0.6032432 0.0526423 -0.1972719 3.1554974 17 O -1.3791866 0.1505774 -0.1658134 0.2605659 -1.8278491 0.4164511 -0.1949652 0.4244649 -1.4825533 18 O -1.2352582 -0.0289523 0.0175689 -0.2160947 -1.5881839 -0.6721331 -0.0688602 -0.6082312 -2.2213458 19 O -2.8871535 -0.5647723 -0.0125460 -0.5124937 -1.3566945 -0.0458758 -0.0375384 -0.0435930 -0.9603627 20 O -1.2474646 -0.1169665 -0.2619760 -0.1579231 -1.6472842 -0.5353461 -0.2789502 -0.4439388 -2.1539923 21 O -1.8646721 0.1591011 0.4134475 0.2684570 -1.5288480 -0.1833669 0.4178023 -0.2359807 -1.5388637 22 O -1.8646721 -0.1591011 0.4134475 -0.2684570 -1.5288480 0.1833669 0.4178023 0.2359807 -1.5388637 23 O -2.8871535 0.5647723 -0.0125460 0.5124937 -1.3566945 0.0458758 -0.0375384 0.0435930 -0.9603627 24 O -1.5955199 0.2691438 0.2905543 0.2781158 -1.4972270 -0.3285914 0.3879412 -0.3777221 -1.7094035 25 O -1.2474646 0.1169665 -0.2619760 0.1579231 -1.6472842 0.5353461 -0.2789502 0.4439388 -2.1539923 26 O -1.2352582 0.0289523 0.0175689 0.2160947 -1.5881839 0.6721331 -0.0688602 0.6082312 -2.2213458 27 O -1.8646721 0.1591011 0.4134475 0.2684570 -1.5288480 -0.1833669 0.4178023 -0.2359807 -1.5388637 28 O -2.8871535 -0.5647723 -0.0125460 -0.5124937 -1.3566945 -0.0458758 -0.0375384 -0.0435930 -0.9603627 29 O -1.5955199 0.2691438 0.2905543 0.2781158 -1.4972270 -0.3285914 0.3879412 -0.3777221 -1.7094035 30 O -1.5955199 -0.2691438 0.2905543 -0.2781158 -1.4972270 0.3285914 0.3879412 0.3777221 -1.7094035 31 O -2.0647998 0.6358066 -0.3834759 0.4435920 -1.3949294 0.3675854 -0.1920748 0.4024377 -1.4589256 32 O -1.5955199 -0.2691438 0.2905543 -0.2781158 -1.4972270 0.3285914 0.3879412 0.3777221 -1.7094035 33 O -1.2352582 0.0289523 0.0175689 0.2160947 -1.5881839 0.6721331 -0.0688602 0.6082312 -2.2213458 34 O -2.8871535 0.5647723 -0.0125460 0.5124937 -1.3566945 0.0458758 -0.0375384 0.0435930 -0.9603627 35 O -2.0647998 0.6358066 -0.3834759 0.4435920 -1.3949294 0.3675854 -0.1920748 0.4024377 -1.4589256 36 O -1.2474646 0.1169665 -0.2619760 0.1579231 -1.6472842 0.5353461 -0.2789502 0.4439388 -2.1539923 37 O -1.3791866 0.1505774 -0.1658134 0.2605659 -1.8278491 0.4164511 -0.1949652 0.4244649 -1.4825533 38 O -2.0647998 -0.6358066 -0.3834759 -0.4435920 -1.3949294 -0.3675854 -0.1920748 -0.4024377 -1.4589256 39 O -2.0647998 -0.6358066 -0.3834759 -0.4435920 -1.3949294 -0.3675854 -0.1920748 -0.4024377 -1.4589256 40 O -1.2352582 -0.0289523 0.0175689 -0.2160947 -1.5881839 -0.6721331 -0.0688602 -0.6082312 -2.2213458 41 O -1.3791866 -0.1505774 -0.1658134 -0.2605659 -1.8278491 -0.4164511 -0.1949652 -0.4244649 -1.4825533 42 O -1.2474646 -0.1169665 -0.2619760 -0.1579231 -1.6472842 -0.5353461 -0.2789502 -0.4439388 -2.1539923 43 O -1.8646721 -0.1591011 0.4134475 -0.2684570 -1.5288480 0.1833669 0.4178023 0.2359807 -1.5388637 44 O -1.3791866 -0.1505774 -0.1658134 -0.2605659 -1.8278491 -0.4164511 -0.1949652 -0.4244649 -1.4825533 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.134 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.054 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 8.992 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 10.119 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.458 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 0.000) 0.000 11.034 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.317 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 11.420 ( 0.000 0.000 0.000) 0.000 11.520 ( 0.000 0.000 0.000) 0.000 11.855 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 12.538 ( 0.000 0.000 0.000) 0.000 12.622 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.069 ( 0.000 0.000 0.000) 0.000 13.170 ( 0.000 0.000 0.000) 0.000 13.314 ( 0.000 0.000 0.000) 0.000 13.374 ( 0.000 0.000 0.000) 0.000 13.490 ( 0.000 0.000 0.000) 0.000 13.765 ( 0.000 0.000 0.000) 0.000 13.811 ( 0.000 0.000 0.000) 0.000 14.199 ( 0.000 0.000 0.000) 0.000 14.456 ( 0.000 0.000 0.000) 0.000 14.541 ( 0.000 0.000 0.000) 0.000 14.792 ( 0.000 0.000 0.000) 0.000 15.079 ( 0.000 0.000 0.000) 0.000 15.240 ( 0.000 0.000 0.000) 0.000 15.400 ( 0.000 0.000 0.000) 0.000 15.414 ( 0.000 0.000 0.000) 0.000 15.547 ( 0.000 0.000 0.000) 0.000 15.734 ( 0.000 0.000 0.000) 0.000 15.978 ( 0.000 0.000 0.000) 0.000 16.233 ( 0.000 0.000 0.000) 0.000 16.341 ( 0.000 0.000 0.000) 0.000 16.546 ( 0.000 0.000 0.000) 0.000 17.142 ( 0.000 0.000 0.000) 0.000 17.659 ( 0.000 0.000 0.000) 0.000 20.509 ( 0.000 0.000 0.000) 0.000 20.613 ( 0.000 0.000 0.000) 0.000 20.781 ( 0.000 0.000 0.000) 0.000 20.988 ( 0.000 0.000 0.000) 0.000 23.588 ( 0.000 0.000 0.000) 0.000 23.633 ( 0.000 0.000 0.000) 0.000 23.690 ( 0.000 0.000 0.000) 0.000 23.699 ( 0.000 0.000 0.000) 0.000 23.952 ( 0.000 0.000 0.000) 0.000 23.959 ( 0.000 0.000 0.000) 0.000 24.156 ( 0.000 0.000 0.000) 0.000 24.319 ( 0.000 0.000 0.000) 0.000 24.398 ( 0.000 0.000 0.000) 0.000 24.769 ( 0.000 0.000 0.000) 0.000 24.771 ( 0.000 0.000 0.000) 0.000 24.966 ( 0.000 0.000 0.000) 0.000 25.530 ( 0.000 0.000 0.000) 0.000 25.585 ( 0.000 0.000 0.000) 0.000 25.674 ( 0.000 0.000 0.000) 0.000 25.712 ( 0.000 0.000 0.000) 0.000 25.784 ( 0.000 0.000 0.000) 0.000 25.872 ( 0.000 0.000 0.000) 0.000 25.938 ( 0.000 0.000 0.000) 0.000 26.554 ( 0.000 0.000 0.000) 0.000 26.635 ( 0.000 0.000 0.000) 0.000 27.468 ( 0.000 0.000 0.000) 0.000 27.899 ( 0.000 0.000 0.000) 0.000 28.130 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 26.143 0.000 23.502) 35.154 0.665 ( 30.950 0.000 18.028) 35.818 1.173 ( 52.948 0.000 32.647) 62.204 2.472 ( -5.727 0.000 2.212) 6.139 2.754 ( -6.633 0.000 -5.993) 8.939 2.980 ( 11.702 0.000 -7.403) 13.847 3.036 ( 5.207 0.000 -0.064) 5.207 3.096 ( 9.254 0.000 -3.808) 10.007 3.247 ( 0.186 0.000 -4.579) 4.583 3.408 ( 2.305 0.000 0.771) 2.431 3.432 ( -2.930 0.000 1.387) 3.242 3.649 ( -1.802 0.000 -4.630) 4.968 3.873 ( -1.989 0.000 -8.688) 8.913 3.914 ( 0.105 0.000 3.365) 3.367 4.117 ( -3.429 0.000 13.969) 14.384 4.278 ( -17.606 0.000 -2.153) 17.737 4.307 ( -2.621 0.000 1.083) 2.836 4.587 ( -3.562 0.000 -2.919) 4.605 4.620 ( -7.674 0.000 -0.527) 7.692 4.691 ( -10.143 0.000 -10.185) 14.374 4.824 ( -14.944 0.000 -0.818) 14.966 4.871 ( -1.064 0.000 8.494) 8.560 5.043 ( -1.175 0.000 -10.874) 10.937 5.216 ( -6.820 0.000 6.963) 9.747 5.302 ( -1.397 0.000 -0.260) 1.421 5.493 ( -0.491 0.000 -1.079) 1.185 5.504 ( 1.066 0.000 -2.872) 3.064 5.569 ( 8.193 0.000 0.084) 8.193 5.669 ( 10.449 0.000 4.314) 11.304 5.886 ( 3.358 0.000 -4.527) 5.636 5.987 ( 13.111 0.000 8.594) 15.677 6.267 ( 12.135 0.000 2.366) 12.364 6.276 ( -7.006 0.000 -4.162) 8.149 6.348 ( 3.253 0.000 0.277) 3.264 6.388 ( -0.585 0.000 -1.364) 1.484 6.534 ( -6.813 0.000 -3.404) 7.616 6.665 ( 4.852 0.000 6.426) 8.052 6.811 ( 1.709 0.000 0.039) 1.710 6.823 ( -3.290 0.000 -10.715) 11.209 6.917 ( -1.298 0.000 1.714) 2.150 6.981 ( -1.531 0.000 -6.184) 6.371 7.001 ( -1.173 0.000 6.790) 6.891 7.092 ( -2.441 0.000 -2.164) 3.262 7.158 ( 5.568 0.000 3.181) 6.412 7.509 ( -8.298 0.000 -11.067) 13.832 7.541 ( -0.344 0.000 5.365) 5.376 7.648 ( -4.968 0.000 4.976) 7.032 7.883 ( 0.635 0.000 -6.643) 6.673 7.892 ( -5.198 0.000 -0.603) 5.233 7.948 ( -0.056 0.000 6.690) 6.690 8.095 ( -3.949 0.000 -2.119) 4.482 8.176 ( 4.576 0.000 1.803) 4.918 8.604 ( 5.660 0.000 2.922) 6.369 8.629 ( 1.529 0.000 4.702) 4.944 8.887 ( -2.480 0.000 -6.736) 7.178 8.902 ( -6.397 0.000 -2.397) 6.831 9.017 ( 6.211 0.000 -0.642) 6.244 9.023 ( -9.841 0.000 -11.871) 15.420 9.235 ( 6.150 0.000 7.183) 9.456 9.378 ( 10.775 0.000 -1.235) 10.846 9.535 ( 4.724 0.000 16.438) 17.103 9.888 ( 4.045 0.000 0.492) 4.074 10.112 ( -0.536 0.000 -1.235) 1.346 10.113 ( -8.099 0.000 -2.050) 8.354 10.225 ( -2.377 0.000 8.569) 8.893 10.505 ( 2.112 0.000 9.223) 9.462 10.512 ( 0.974 0.000 -4.878) 4.974 10.668 ( -5.371 0.000 -5.496) 7.684 10.789 ( -2.357 0.000 -0.918) 2.529 10.963 ( 4.793 0.000 8.044) 9.364 11.116 ( 2.049 0.000 7.530) 7.803 11.274 ( 1.587 0.000 -0.535) 1.675 11.350 ( 5.743 0.000 -8.044) 9.884 11.390 ( 0.917 0.000 -1.357) 1.638 11.431 ( 2.515 0.000 -7.428) 7.842 11.592 ( 0.982 0.000 3.534) 3.668 12.049 ( 3.187 0.000 -9.905) 10.405 12.402 ( -8.860 0.000 -3.526) 9.536 12.504 ( 2.479 0.000 -0.688) 2.573 12.611 ( -1.086 0.000 -1.418) 1.786 13.008 ( -15.683 0.000 4.945) 16.444 13.044 ( 0.763 0.000 -1.799) 1.954 13.164 ( -9.745 0.000 -12.333) 15.718 13.328 ( 0.328 0.000 -4.606) 4.618 13.518 ( 3.930 0.000 0.546) 3.968 13.641 ( 5.348 0.000 18.803) 19.548 13.774 ( -1.131 0.000 6.383) 6.482 14.003 ( 6.363 0.000 6.404) 9.028 14.188 ( -0.625 0.000 -1.317) 1.457 14.471 ( 1.688 0.000 1.984) 2.605 14.530 ( -2.484 0.000 3.409) 4.218 14.795 ( 0.137 0.000 0.211) 0.252 15.251 ( 1.576 0.000 -1.585) 2.235 15.367 ( -2.969 0.000 -1.873) 3.510 15.399 ( -0.312 0.000 0.715) 0.780 15.602 ( -6.381 0.000 18.524) 19.592 15.636 ( 9.016 0.000 -1.209) 9.096 15.791 ( 0.576 0.000 5.962) 5.990 15.953 ( 1.152 0.000 -3.164) 3.367 16.156 ( -7.288 0.000 -0.795) 7.331 16.536 ( -1.432 0.000 1.577) 2.130 16.743 ( 9.440 0.000 -9.871) 13.658 17.638 ( -1.798 0.000 -1.404) 2.282 18.182 ( 8.940 0.000 -27.861) 29.260 20.529 ( 1.500 0.000 2.254) 2.708 20.644 ( 4.165 0.000 -3.123) 5.206 21.030 ( 3.451 0.000 3.588) 4.978 22.162 ( 25.216 0.000 -97.160) 100.379 23.617 ( 2.566 0.000 1.849) 3.163 23.643 ( 0.837 0.000 0.757) 1.129 23.695 ( 0.241 0.000 0.912) 0.944 23.781 ( -5.021 0.000 18.802) 19.461 23.979 ( 2.008 0.000 0.713) 2.131 23.997 ( -9.496 0.000 26.563) 28.209 24.152 ( -0.364 0.000 0.112) 0.381 24.334 ( 1.614 0.000 -0.129) 1.619 24.405 ( -0.082 0.000 2.123) 2.124 24.768 ( 1.999 0.000 -5.218) 5.588 24.795 ( 0.650 0.000 4.589) 4.635 25.204 ( -2.130 0.000 -6.605) 6.940 25.571 ( -0.893 0.000 -1.872) 2.074 25.666 ( -1.279 0.000 0.412) 1.343 25.706 ( -1.374 0.000 1.010) 1.705 25.793 ( 1.484 0.000 0.636) 1.614 25.895 ( 2.296 0.000 -0.363) 2.325 25.962 ( 2.504 0.000 0.914) 2.665 26.540 ( -1.150 0.000 -1.127) 1.610 26.610 ( -4.910 0.000 9.762) 10.927 26.746 ( -5.388 0.000 30.654) 31.124 27.464 ( -0.983 0.000 2.008) 2.236 27.871 ( -2.958 0.000 -0.333) 2.977 28.103 ( -4.646 0.000 2.806) 5.427 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 23.901 0.000 20.875) 31.734 1.312 ( 29.416 0.000 15.967) 33.470 2.219 ( 37.571 0.000 30.430) 48.348 2.435 ( 0.655 0.000 3.075) 3.144 2.654 ( 1.756 0.000 -2.638) 3.168 3.016 ( -2.270 0.000 -17.215) 17.365 3.139 ( 5.721 0.000 -0.536) 5.746 3.233 ( 9.921 0.000 -6.493) 11.857 3.242 ( 2.226 0.000 2.104) 3.063 3.465 ( 2.758 0.000 0.084) 2.760 3.474 ( 6.066 0.000 -3.336) 6.923 3.601 ( -0.448 0.000 -1.293) 1.368 3.705 ( -12.756 0.000 -3.751) 13.296 3.869 ( -6.960 0.000 1.273) 7.076 3.926 ( -12.693 0.000 5.425) 13.803 4.198 ( -2.630 0.000 9.436) 9.796 4.238 ( -5.141 0.000 -0.769) 5.198 4.443 ( -6.936 0.000 -10.144) 12.289 4.480 ( -7.758 0.000 1.746) 7.952 4.551 ( -2.411 0.000 -1.194) 2.690 4.552 ( -12.638 0.000 1.972) 12.791 4.847 ( -0.021 0.000 -2.173) 2.173 4.894 ( -9.232 0.000 -11.646) 14.862 5.142 ( -5.511 0.000 4.846) 7.338 5.254 ( -3.017 0.000 1.452) 3.348 5.370 ( -7.348 0.000 -6.025) 9.502 5.541 ( 4.283 0.000 0.815) 4.360 5.748 ( 8.892 0.000 2.673) 9.285 5.868 ( 3.922 0.000 -0.214) 3.928 5.917 ( 2.105 0.000 -3.591) 4.163 6.117 ( -8.001 0.000 -1.571) 8.153 6.264 ( -5.500 0.000 -2.336) 5.976 6.309 ( 15.074 0.000 4.299) 15.675 6.372 ( -0.859 0.000 -1.386) 1.630 6.477 ( 4.860 0.000 6.578) 8.179 6.588 ( -4.334 0.000 -8.704) 9.723 6.630 ( 11.620 0.000 5.569) 12.886 6.798 ( -1.625 0.000 -2.140) 2.687 6.831 ( 3.561 0.000 -0.338) 3.577 6.886 ( -3.760 0.000 -2.882) 4.738 6.931 ( 1.170 0.000 -9.575) 9.647 7.035 ( 2.141 0.000 6.200) 6.559 7.092 ( 3.867 0.000 1.086) 4.017 7.232 ( -11.248 0.000 -7.228) 13.370 7.324 ( 8.709 0.000 4.765) 9.927 7.496 ( -8.272 0.000 9.026) 12.243 7.634 ( -1.898 0.000 3.293) 3.801 7.825 ( -1.540 0.000 -0.720) 1.700 7.890 ( 2.175 0.000 -4.483) 4.983 7.970 ( -5.003 0.000 -6.821) 8.459 8.005 ( 1.736 0.000 5.643) 5.904 8.225 ( -0.086 0.000 1.550) 1.552 8.578 ( -10.555 0.000 4.855) 11.618 8.592 ( -6.653 0.000 -4.640) 8.112 8.715 ( -6.722 0.000 -16.054) 17.405 8.851 ( 0.144 0.000 6.103) 6.105 9.052 ( 12.292 0.000 4.238) 13.002 9.140 ( 6.466 0.000 0.162) 6.468 9.356 ( 2.156 0.000 10.182) 10.408 9.610 ( 14.326 0.000 0.341) 14.330 9.666 ( 1.518 0.000 10.022) 10.136 9.953 ( -7.600 0.000 -1.841) 7.820 9.991 ( 4.007 0.000 4.421) 5.967 10.081 ( -1.843 0.000 -1.838) 2.603 10.282 ( 0.513 0.000 17.244) 17.252 10.395 ( -4.373 0.000 -13.247) 13.950 10.573 ( 0.467 0.000 3.918) 3.946 10.646 ( 1.325 0.000 -0.175) 1.336 10.720 ( -0.945 0.000 -8.873) 8.923 11.125 ( 6.561 0.000 6.334) 9.119 11.146 ( -1.809 0.000 3.999) 4.389 11.292 ( -4.726 0.000 -14.379) 15.136 11.300 ( 1.368 0.000 1.084) 1.746 11.398 ( 4.763 0.000 -8.608) 9.838 11.504 ( 3.973 0.000 4.134) 5.734 11.671 ( 2.978 0.000 10.320) 10.741 12.054 ( 2.666 0.000 -6.608) 7.126 12.185 ( -9.252 0.000 -7.926) 12.183 12.548 ( -4.583 0.000 -4.612) 6.502 12.626 ( 8.924 0.000 3.470) 9.575 12.761 ( -12.459 0.000 1.087) 12.506 12.915 ( -8.243 0.000 -14.005) 16.251 13.072 ( 2.698 0.000 -0.979) 2.870 13.268 ( -0.518 0.000 -10.744) 10.756 13.610 ( 3.818 0.000 2.750) 4.705 13.793 ( -1.650 0.000 9.268) 9.414 13.813 ( 6.574 0.000 3.696) 7.542 14.079 ( -2.000 0.000 4.489) 4.914 14.173 ( 0.369 0.000 -2.052) 2.085 14.482 ( -5.280 0.000 4.030) 6.642 14.605 ( 9.289 0.000 9.720) 13.445 14.796 ( -0.172 0.000 0.175) 0.246 15.271 ( 1.988 0.000 -3.429) 3.964 15.319 ( -0.918 0.000 -1.788) 2.010 15.397 ( -0.344 0.000 0.700) 0.780 15.591 ( -3.184 0.000 8.399) 8.982 15.725 ( -6.605 0.000 0.454) 6.621 15.808 ( 8.532 0.000 0.211) 8.534 15.992 ( -10.238 0.000 0.713) 10.263 16.058 ( 7.841 0.000 1.816) 8.049 16.523 ( -0.059 0.000 0.269) 0.276 16.870 ( 8.488 0.000 -4.599) 9.654 17.584 ( -3.134 0.000 -1.183) 3.350 18.185 ( 3.670 0.000 -11.260) 11.843 20.586 ( 2.275 0.000 4.944) 5.442 20.711 ( 5.627 0.000 -6.171) 8.351 21.147 ( 5.688 0.000 7.717) 9.587 22.027 ( 6.261 0.000 -48.930) 49.329 23.666 ( 1.074 0.000 0.521) 1.193 23.692 ( 3.891 0.000 2.500) 4.625 23.711 ( 0.965 0.000 1.299) 1.618 23.800 ( -1.429 0.000 7.750) 7.881 23.971 ( -5.391 0.000 11.780) 12.955 24.037 ( 3.240 0.000 2.386) 4.024 24.147 ( 0.017 0.000 -0.599) 0.599 24.371 ( 2.285 0.000 -0.026) 2.285 24.409 ( -1.304 0.000 2.594) 2.904 24.782 ( 2.546 0.000 -4.095) 4.822 24.843 ( 1.867 0.000 3.598) 4.054 25.114 ( -3.907 0.000 -4.254) 5.776 25.534 ( -1.549 0.000 -2.842) 3.237 25.630 ( -2.667 0.000 0.013) 2.667 25.679 ( -1.793 0.000 0.526) 1.869 25.832 ( 1.961 0.000 0.584) 2.046 25.940 ( 2.788 0.000 -0.861) 2.918 26.040 ( 4.957 0.000 2.130) 5.395 26.499 ( -2.336 0.000 -1.998) 3.074 26.581 ( -2.974 0.000 5.213) 6.001 26.835 ( 1.407 0.000 12.445) 12.524 27.457 ( -1.433 0.000 3.264) 3.565 27.797 ( -4.338 0.000 -1.119) 4.480 28.013 ( -5.612 0.000 -0.743) 5.661 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 16.914 0.000 14.991) 22.601 1.866 ( 21.847 0.000 9.913) 23.990 2.484 ( -0.506 0.000 -2.665) 2.713 2.530 ( 6.336 0.000 5.430) 8.345 2.869 ( -1.371 0.000 -13.844) 13.911 3.007 ( 10.398 0.000 19.480) 22.081 3.156 ( -13.359 0.000 0.758) 13.381 3.217 ( 3.690 0.000 -2.483) 4.448 3.446 ( 0.723 0.000 -3.760) 3.829 3.462 ( -7.831 0.000 -1.275) 7.934 3.472 ( 15.265 0.000 -3.261) 15.610 3.567 ( 3.004 0.000 -1.406) 3.316 3.638 ( -1.488 0.000 2.706) 3.088 3.791 ( 6.996 0.000 4.241) 8.181 3.878 ( 2.245 0.000 3.774) 4.391 4.116 ( -8.003 0.000 3.113) 8.587 4.171 ( -3.730 0.000 3.995) 5.466 4.296 ( -2.944 0.000 -7.181) 7.761 4.298 ( -11.603 0.000 -4.114) 12.311 4.397 ( -5.537 0.000 -3.514) 6.558 4.529 ( -0.940 0.000 1.399) 1.685 4.714 ( -2.245 0.000 -6.419) 6.800 4.899 ( 4.786 0.000 2.505) 5.402 5.064 ( -4.442 0.000 -0.919) 4.536 5.193 ( -4.849 0.000 0.792) 4.913 5.245 ( -3.071 0.000 1.212) 3.301 5.627 ( 3.913 0.000 -0.001) 3.913 5.630 ( -13.975 0.000 -16.973) 21.986 5.886 ( 2.957 0.000 2.354) 3.779 6.001 ( -2.745 0.000 3.937) 4.800 6.072 ( 5.976 0.000 1.751) 6.227 6.157 ( -4.257 0.000 3.231) 5.345 6.294 ( -8.696 0.000 -9.044) 12.547 6.381 ( -0.925 0.000 0.351) 0.989 6.600 ( 10.519 0.000 -5.527) 11.883 6.674 ( 2.668 0.000 7.724) 8.172 6.695 ( -3.898 0.000 -3.911) 5.521 6.775 ( -0.214 0.000 -0.341) 0.403 6.867 ( 4.619 0.000 1.898) 4.994 6.871 ( 1.241 0.000 1.351) 1.835 6.942 ( 5.035 0.000 -3.766) 6.287 7.085 ( -3.812 0.000 -1.361) 4.048 7.174 ( 9.598 0.000 4.131) 10.449 7.189 ( 3.845 0.000 1.462) 4.114 7.362 ( -8.102 0.000 8.033) 11.409 7.499 ( 5.657 0.000 -2.769) 6.298 7.633 ( 1.687 0.000 0.612) 1.795 7.780 ( -9.587 0.000 0.856) 9.625 7.821 ( 0.632 0.000 0.719) 0.958 7.966 ( 3.802 0.000 1.478) 4.080 8.069 ( 3.612 0.000 -2.919) 4.644 8.181 ( -5.061 0.000 -0.453) 5.081 8.388 ( -8.911 0.000 0.538) 8.927 8.454 ( -4.008 0.000 -2.844) 4.914 8.528 ( -7.240 0.000 -8.733) 11.344 8.887 ( -0.337 0.000 4.395) 4.408 9.232 ( 4.053 0.000 -1.399) 4.288 9.325 ( 11.785 0.000 3.281) 12.234 9.482 ( 6.307 0.000 15.080) 16.345 9.686 ( -3.028 0.000 1.615) 3.431 9.818 ( -4.502 0.000 0.943) 4.599 9.868 ( 10.547 0.000 0.009) 10.547 10.005 ( -5.544 0.000 -4.379) 7.065 10.047 ( -0.120 0.000 2.621) 2.624 10.286 ( -0.723 0.000 -8.051) 8.084 10.422 ( 2.822 0.000 16.467) 16.707 10.559 ( -3.227 0.000 2.387) 4.014 10.666 ( 1.233 0.000 1.732) 2.126 10.679 ( 1.505 0.000 -6.952) 7.113 11.016 ( -6.262 0.000 -16.828) 17.955 11.193 ( 1.058 0.000 -6.813) 6.895 11.256 ( 1.846 0.000 10.581) 10.741 11.304 ( -0.249 0.000 -4.654) 4.660 11.517 ( 8.088 0.000 10.830) 13.517 11.533 ( -2.671 0.000 -1.161) 2.912 11.771 ( 1.797 0.000 5.254) 5.553 12.029 ( -2.847 0.000 -6.428) 7.031 12.070 ( 2.664 0.000 -5.157) 5.804 12.420 ( -6.349 0.000 0.537) 6.372 12.544 ( -7.883 0.000 -12.952) 15.162 12.766 ( -3.657 0.000 -0.691) 3.722 12.811 ( 7.299 0.000 6.632) 9.862 13.066 ( -1.871 0.000 -7.644) 7.870 13.265 ( 5.471 0.000 -4.132) 6.856 13.665 ( 0.994 0.000 1.540) 1.833 13.820 ( -0.977 0.000 7.706) 7.767 13.918 ( 4.038 0.000 -1.002) 4.161 14.036 ( -3.513 0.000 2.613) 4.379 14.188 ( 2.707 0.000 -2.057) 3.399 14.387 ( -6.938 0.000 2.373) 7.333 14.789 ( -0.499 0.000 1.238) 1.335 14.846 ( 9.241 0.000 8.115) 12.298 15.277 ( 1.188 0.000 -4.802) 4.947 15.308 ( 0.214 0.000 -0.635) 0.670 15.396 ( 0.048 0.000 0.154) 0.161 15.590 ( -0.404 0.000 3.260) 3.285 15.618 ( -4.376 0.000 -0.155) 4.378 15.813 ( -9.847 0.000 2.071) 10.063 15.922 ( 3.476 0.000 0.416) 3.501 16.184 ( 4.491 0.000 1.277) 4.669 16.548 ( 2.579 0.000 -0.727) 2.679 16.978 ( 5.198 0.000 -2.341) 5.700 17.523 ( -2.712 0.000 -0.261) 2.724 18.186 ( 1.442 0.000 -4.548) 4.771 20.656 ( 1.631 0.000 5.944) 6.164 20.762 ( 3.895 0.000 -6.795) 7.832 21.309 ( 5.697 0.000 11.132) 12.505 21.849 ( -0.679 0.000 -29.140) 29.148 23.683 ( 0.563 0.000 0.167) 0.587 23.742 ( 1.656 0.000 0.624) 1.770 23.768 ( 2.832 0.000 1.443) 3.179 23.813 ( -0.797 0.000 3.399) 3.492 23.942 ( -3.063 0.000 5.371) 6.183 24.112 ( 1.284 0.000 6.293) 6.422 24.153 ( 2.849 0.000 -4.147) 5.031 24.382 ( -2.805 0.000 1.306) 3.095 24.409 ( 1.673 0.000 0.136) 1.679 24.809 ( 2.168 0.000 -2.231) 3.110 24.893 ( 1.538 0.000 2.268) 2.741 25.031 ( -2.748 0.000 -2.526) 3.733 25.491 ( -1.368 0.000 -2.216) 2.604 25.581 ( -2.279 0.000 -0.263) 2.294 25.654 ( -1.049 0.000 0.245) 1.077 25.861 ( 0.952 0.000 0.343) 1.012 25.979 ( 1.870 0.000 -0.580) 1.958 26.151 ( 5.323 0.000 2.602) 5.925 26.435 ( -3.230 0.000 -2.323) 3.978 26.562 ( -1.420 0.000 2.181) 2.603 26.925 ( 2.329 0.000 5.761) 6.214 27.452 ( -1.049 0.000 2.799) 2.989 27.718 ( -3.178 0.000 -1.453) 3.495 27.912 ( -4.294 0.000 -1.366) 4.506 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.000 0.000 -0.000) 0.000 2.114 ( 0.000 0.000 -0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 -0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 -0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 -0.000) 0.000 4.126 ( 0.000 0.000 -0.000) 0.000 4.172 ( 0.000 0.000 -0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 5.014 ( -0.000 0.000 0.000) 0.000 5.120 ( -0.000 0.000 -0.000) 0.000 5.303 ( 0.000 0.000 -0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 6.105 ( -0.000 0.000 -0.000) 0.000 6.209 ( 0.000 0.000 -0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.644 ( -0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 -0.000) 0.000 6.709 ( -0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.288 ( -0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 -0.000) 0.000 7.562 ( -0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 -0.000) 0.000 7.838 ( 0.000 0.000 0.000) 0.000 8.065 ( -0.000 0.000 -0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 -0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 0.000) 0.000 9.445 ( -0.000 0.000 -0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 -0.000) 0.000 9.830 ( -0.000 0.000 -0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 10.478 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 -0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.707 ( 0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 -0.000) 0.000 11.157 ( 0.000 0.000 -0.000) 0.000 11.285 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 11.446 ( -0.000 0.000 -0.000) 0.000 11.676 ( 0.000 0.000 0.000) 0.000 11.777 ( -0.000 0.000 -0.000) 0.000 11.993 ( 0.000 0.000 -0.000) 0.000 12.082 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 12.410 ( 0.000 0.000 -0.000) 0.000 12.736 ( 0.000 0.000 0.000) 0.000 12.957 ( 0.000 0.000 0.000) 0.000 12.958 ( -0.000 0.000 -0.000) 0.000 13.322 ( 0.000 0.000 0.000) 0.000 13.676 ( 0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 14.012 ( 0.000 0.000 0.000) 0.000 14.232 ( 0.000 0.000 0.000) 0.000 14.299 ( -0.000 0.000 0.000) 0.000 14.787 ( 0.000 0.000 0.000) 0.000 14.970 ( 0.000 0.000 0.000) 0.000 15.268 ( 0.000 0.000 0.000) 0.000 15.310 ( 0.000 0.000 -0.000) 0.000 15.398 ( 0.000 0.000 0.000) 0.000 15.578 ( 0.000 0.000 0.000) 0.000 15.609 ( 0.000 0.000 0.000) 0.000 15.707 ( 0.000 0.000 -0.000) 0.000 15.950 ( 0.000 0.000 0.000) 0.000 16.228 ( 0.000 0.000 -0.000) 0.000 16.576 ( 0.000 0.000 0.000) 0.000 17.020 ( 0.000 0.000 -0.000) 0.000 17.496 ( 0.000 0.000 0.000) 0.000 18.185 ( 0.000 0.000 -0.000) 0.000 20.692 ( 0.000 0.000 0.000) 0.000 20.775 ( 0.000 0.000 -0.000) 0.000 21.421 ( 0.000 0.000 -0.000) 0.000 21.731 ( 0.000 0.000 0.000) 0.000 23.688 ( -0.000 0.000 0.000) 0.000 23.764 ( 0.000 0.000 0.000) 0.000 23.799 ( 0.000 0.000 0.000) 0.000 23.812 ( -0.000 0.000 0.000) 0.000 23.929 ( 0.000 0.000 0.000) 0.000 24.131 ( 0.000 0.000 0.000) 0.000 24.191 ( 0.000 0.000 -0.000) 0.000 24.348 ( 0.000 0.000 0.000) 0.000 24.425 ( 0.000 0.000 0.000) 0.000 24.824 ( 0.000 0.000 -0.000) 0.000 24.915 ( 0.000 0.000 0.000) 0.000 24.997 ( 0.000 0.000 0.000) 0.000 25.471 ( 0.000 0.000 0.000) 0.000 25.557 ( 0.000 0.000 0.000) 0.000 25.645 ( 0.000 0.000 0.000) 0.000 25.871 ( 0.000 0.000 0.000) 0.000 25.995 ( 0.000 0.000 0.000) 0.000 26.223 ( 0.000 0.000 0.000) 0.000 26.384 ( 0.000 0.000 0.000) 0.000 26.555 ( 0.000 0.000 0.000) 0.000 26.966 ( 0.000 0.000 0.000) 0.000 27.450 ( 0.000 0.000 -0.000) 0.000 27.682 ( 0.000 0.000 0.000) 0.000 27.865 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 29.058 0.000) 29.058 0.788 ( 0.000 38.444 0.000) 38.444 1.230 ( 0.000 58.256 0.000) 58.256 2.609 ( 0.000 5.518 0.000) 5.518 2.708 ( 0.000 -13.529 0.000) 13.529 2.858 ( 0.000 -2.121 0.000) 2.121 2.951 ( 0.000 -1.923 0.000) 1.923 3.025 ( 0.000 0.415 0.000) 0.415 3.249 ( 0.000 -6.872 0.000) 6.872 3.259 ( 0.000 1.797 0.000) 1.797 3.554 ( 0.000 2.637 0.000) 2.637 3.726 ( 0.000 2.649 0.000) 2.649 3.843 ( 0.000 -7.073 0.000) 7.073 3.896 ( 0.000 -1.287 0.000) 1.287 3.982 ( 0.000 -5.852 0.000) 5.852 4.281 ( 0.000 -3.145 0.000) 3.145 4.508 ( 0.000 -3.394 0.000) 3.394 4.512 ( 0.000 -7.753 0.000) 7.753 4.741 ( 0.000 0.264 0.000) 0.264 4.754 ( 0.000 1.505 0.000) 1.505 4.890 ( 0.000 1.054 0.000) 1.054 5.064 ( 0.000 11.099 0.000) 11.099 5.162 ( 0.000 -5.662 0.000) 5.662 5.286 ( 0.000 0.895 0.000) 0.895 5.289 ( 0.000 8.522 0.000) 8.522 5.518 ( 0.000 2.392 0.000) 2.392 5.538 ( 0.000 4.839 0.000) 4.839 5.546 ( 0.000 1.156 0.000) 1.156 5.633 ( 0.000 9.061 0.000) 9.061 5.844 ( 0.000 6.093 0.000) 6.093 5.941 ( 0.000 -6.830 0.000) 6.830 6.137 ( 0.000 12.061 0.000) 12.061 6.168 ( 0.000 -12.621 0.000) 12.621 6.294 ( 0.000 -7.466 0.000) 7.466 6.462 ( 0.000 1.760 0.000) 1.760 6.516 ( 0.000 -3.274 0.000) 3.274 6.656 ( 0.000 -1.690 0.000) 1.690 6.699 ( 0.000 -6.158 0.000) 6.158 6.855 ( 0.000 -5.435 0.000) 5.435 6.888 ( 0.000 -1.429 0.000) 1.429 6.970 ( 0.000 -2.191 0.000) 2.191 7.034 ( 0.000 1.631 0.000) 1.631 7.183 ( 0.000 4.459 0.000) 4.459 7.261 ( 0.000 -0.229 0.000) 0.229 7.394 ( 0.000 -7.167 0.000) 7.167 7.655 ( 0.000 5.218 0.000) 5.218 7.835 ( 0.000 8.234 0.000) 8.234 7.849 ( 0.000 -12.334 0.000) 12.334 7.885 ( 0.000 -5.635 0.000) 5.635 7.997 ( 0.000 -0.595 0.000) 0.595 8.083 ( 0.000 1.431 0.000) 1.431 8.365 ( 0.000 -1.947 0.000) 1.947 8.570 ( 0.000 -5.856 0.000) 5.856 8.713 ( 0.000 7.959 0.000) 7.959 8.750 ( 0.000 -5.567 0.000) 5.567 8.996 ( 0.000 2.116 0.000) 2.116 9.019 ( 0.000 0.944 0.000) 0.944 9.286 ( 0.000 5.071 0.000) 5.071 9.292 ( 0.000 3.398 0.000) 3.398 9.423 ( 0.000 8.753 0.000) 8.753 9.499 ( 0.000 2.689 0.000) 2.689 9.710 ( 0.000 9.472 0.000) 9.472 9.856 ( 0.000 2.973 0.000) 2.973 10.112 ( 0.000 -0.904 0.000) 0.904 10.203 ( 0.000 -0.178 0.000) 0.178 10.297 ( 0.000 4.122 0.000) 4.122 10.353 ( 0.000 -4.600 0.000) 4.600 10.537 ( 0.000 0.298 0.000) 0.298 10.747 ( 0.000 -4.717 0.000) 4.717 10.785 ( 0.000 -7.740 0.000) 7.740 11.106 ( 0.000 -10.820 0.000) 10.820 11.126 ( 0.000 7.081 0.000) 7.081 11.278 ( 0.000 -9.299 0.000) 9.299 11.353 ( 0.000 3.722 0.000) 3.722 11.509 ( 0.000 4.973 0.000) 4.973 11.603 ( 0.000 3.347 0.000) 3.347 11.868 ( 0.000 1.456 0.000) 1.456 12.362 ( 0.000 -16.583 0.000) 16.583 12.583 ( 0.000 3.937 0.000) 3.937 12.826 ( 0.000 0.595 0.000) 0.595 12.961 ( 0.000 -7.188 0.000) 7.188 13.005 ( 0.000 -3.616 0.000) 3.616 13.247 ( 0.000 -16.160 0.000) 16.160 13.248 ( 0.000 -9.286 0.000) 9.286 13.317 ( 0.000 9.924 0.000) 9.924 13.417 ( 0.000 7.055 0.000) 7.055 13.924 ( 0.000 0.172 0.000) 0.172 13.989 ( 0.000 9.217 0.000) 9.217 14.470 ( 0.000 2.222 0.000) 2.222 14.574 ( 0.000 3.071 0.000) 3.071 14.742 ( 0.000 -1.403 0.000) 1.403 14.821 ( 0.000 1.591 0.000) 1.591 15.043 ( 0.000 -2.247 0.000) 2.247 15.304 ( 0.000 -5.070 0.000) 5.070 15.337 ( 0.000 7.242 0.000) 7.242 15.474 ( 0.000 4.665 0.000) 4.665 15.654 ( 0.000 -0.870 0.000) 0.870 15.750 ( 0.000 1.396 0.000) 1.396 15.931 ( 0.000 -4.270 0.000) 4.270 16.306 ( 0.000 -3.547 0.000) 3.547 16.437 ( 0.000 16.321 0.000) 16.321 17.146 ( 0.000 0.273 0.000) 0.273 17.644 ( 0.000 -1.371 0.000) 1.371 17.698 ( 0.000 -1.677 0.000) 1.677 20.537 ( 0.000 2.634 0.000) 2.634 20.815 ( 0.000 3.227 0.000) 3.227 20.946 ( 0.000 -3.891 0.000) 3.891 21.217 ( 0.000 -2.676 0.000) 2.676 23.641 ( 0.000 0.770 0.000) 0.770 23.699 ( 0.000 0.030 0.000) 0.030 23.706 ( 0.000 1.484 0.000) 1.484 23.850 ( 0.000 2.037 0.000) 2.037 23.905 ( 0.000 -2.767 0.000) 2.767 23.985 ( 0.000 0.681 0.000) 0.681 24.155 ( 0.000 -0.039 0.000) 0.039 24.277 ( 0.000 -3.317 0.000) 3.317 24.465 ( 0.000 2.542 0.000) 2.542 24.744 ( 0.000 -2.502 0.000) 2.502 24.980 ( 0.000 1.206 0.000) 1.206 25.028 ( 0.000 0.164 0.000) 0.164 25.520 ( 0.000 -0.684 0.000) 0.684 25.582 ( 0.000 -0.259 0.000) 0.259 25.650 ( 0.000 -2.955 0.000) 2.955 25.687 ( 0.000 -2.651 0.000) 2.651 25.797 ( 0.000 1.147 0.000) 1.147 25.875 ( 0.000 0.062 0.000) 0.062 26.276 ( 0.000 4.352 0.000) 4.352 26.539 ( 0.000 -1.404 0.000) 1.404 26.695 ( 0.000 5.950 0.000) 5.950 27.736 ( 0.000 -12.421 0.000) 12.421 28.226 ( 0.000 5.944 0.000) 5.944 28.457 ( 0.000 -1.011 0.000) 1.011 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 14.708 26.862 7.424) 31.512 0.928 ( 23.779 19.888 10.187) 32.630 1.696 ( 32.468 40.358 26.235) 58.062 2.468 ( -7.350 -2.093 1.734) 7.837 2.753 ( -3.408 0.646 -6.821) 7.653 2.913 ( 10.696 -5.681 -4.010) 12.757 3.016 ( 7.201 -3.267 0.767) 7.944 3.075 ( 4.584 -1.860 -2.239) 5.431 3.250 ( 1.200 0.885 -4.069) 4.333 3.305 ( 4.464 -3.431 1.317) 5.782 3.547 ( -0.461 5.095 2.089) 5.526 3.675 ( -2.763 2.238 -4.550) 5.774 3.857 ( -1.338 -2.621 -2.122) 3.628 3.876 ( 0.169 -6.653 -3.269) 7.414 4.000 ( -1.023 -6.631 6.743) 9.512 4.219 ( -9.791 -3.692 -2.751) 10.819 4.325 ( -11.223 1.996 3.454) 11.911 4.495 ( -3.388 -8.145 0.643) 8.844 4.619 ( -8.433 -1.730 -2.110) 8.864 4.697 ( -8.986 1.027 -4.491) 10.098 4.817 ( -7.388 3.476 -1.225) 8.257 4.972 ( -8.095 4.612 1.127) 9.385 5.130 ( -5.834 4.976 -8.994) 11.819 5.182 ( -3.050 0.926 6.664) 7.387 5.329 ( 3.652 2.001 4.307) 5.991 5.454 ( -3.998 2.608 -2.206) 5.258 5.572 ( 3.114 3.424 -2.616) 5.316 5.579 ( 1.044 0.526 2.394) 2.665 5.780 ( 7.140 7.182 0.496) 10.139 5.927 ( 3.323 1.740 -3.997) 5.482 6.040 ( 5.778 1.500 6.186) 8.597 6.122 ( -0.329 -6.399 -2.372) 6.832 6.202 ( 12.133 -4.144 2.017) 12.979 6.259 ( 1.152 -3.627 -0.500) 3.839 6.461 ( -1.628 -0.240 4.213) 4.523 6.513 ( -4.686 -3.787 -0.393) 6.038 6.656 ( 0.046 -1.444 2.261) 2.683 6.712 ( 0.102 -7.454 -2.316) 7.806 6.830 ( -1.742 -3.498 -0.838) 3.997 6.918 ( 3.073 2.337 1.541) 4.157 6.948 ( 0.650 -0.786 -1.693) 1.977 7.062 ( 0.677 3.815 2.982) 4.889 7.149 ( -3.266 1.542 -0.152) 3.615 7.234 ( 1.792 5.686 -0.019) 5.961 7.459 ( 3.488 -5.067 1.990) 6.465 7.590 ( -6.703 1.218 -9.417) 11.623 7.709 ( -10.745 3.684 -1.144) 11.417 7.831 ( -0.113 -1.082 -2.018) 2.292 7.884 ( 1.436 -4.606 -2.880) 5.619 7.932 ( -3.631 0.456 3.466) 5.040 8.088 ( -8.055 5.791 2.712) 10.284 8.184 ( 3.435 -2.036 -2.181) 4.550 8.653 ( 5.884 -1.206 3.401) 6.903 8.696 ( 0.151 5.055 1.426) 5.254 8.841 ( 3.439 -6.387 -4.475) 8.523 8.925 ( -4.704 2.053 0.123) 5.134 9.017 ( -5.997 9.422 -6.760) 13.055 9.082 ( 1.062 1.706 -4.637) 5.054 9.293 ( 0.990 5.892 -0.263) 5.980 9.391 ( 4.112 1.553 -0.925) 4.492 9.647 ( 3.467 4.812 8.243) 10.155 9.869 ( 2.286 1.960 1.148) 3.223 10.054 ( -4.453 -1.994 -2.247) 5.372 10.127 ( -0.931 -4.340 0.969) 4.543 10.271 ( 2.222 -0.561 0.939) 2.477 10.386 ( 7.936 -11.932 -9.690) 17.299 10.416 ( 5.602 -6.027 24.080) 25.447 10.542 ( 2.384 0.786 -4.504) 5.157 10.679 ( 0.375 -0.363 3.470) 3.509 10.964 ( 7.469 -1.303 0.864) 7.631 11.064 ( 1.696 -13.515 2.412) 13.833 11.210 ( 5.117 0.859 -0.208) 5.193 11.286 ( 0.429 -5.489 -0.725) 5.553 11.392 ( 3.974 2.910 -0.218) 4.930 11.451 ( -2.520 2.665 -6.808) 7.733 11.629 ( 0.169 2.029 7.214) 7.496 11.902 ( 3.696 -5.264 -3.414) 7.282 12.322 ( -3.898 -9.136 -2.506) 10.244 12.535 ( -2.911 3.524 0.982) 4.675 12.760 ( -3.413 3.315 -2.820) 5.531 12.932 ( -8.760 -6.637 -1.138) 11.049 13.032 ( 0.817 -3.567 5.957) 6.991 13.046 ( -5.013 -4.939 -14.607) 16.214 13.360 ( 5.518 -0.426 3.068) 6.328 13.429 ( 4.901 -5.042 9.775) 12.041 13.526 ( 8.038 -0.363 3.807) 8.901 13.875 ( -2.290 7.214 -2.544) 7.985 14.001 ( -0.059 2.554 2.383) 3.494 14.362 ( -9.623 4.179 -1.569) 10.608 14.552 ( -2.184 3.390 -0.437) 4.056 14.588 ( -0.494 7.177 2.226) 7.530 14.810 ( -0.397 1.066 -0.434) 1.218 15.217 ( 3.374 -9.815 0.328) 10.384 15.299 ( 0.137 -5.060 1.436) 5.261 15.343 ( 0.434 5.153 2.824) 5.892 15.492 ( 1.526 1.235 -1.196) 2.298 15.748 ( 2.727 -1.611 5.499) 6.346 15.783 ( 2.093 2.703 3.225) 4.700 15.954 ( 3.642 -1.848 -3.994) 5.712 16.292 ( -3.338 -2.547 -4.489) 6.147 16.410 ( 0.059 11.780 4.783) 12.714 17.013 ( -3.318 11.610 -1.969) 12.235 17.587 ( -1.162 -3.896 -4.470) 6.042 17.984 ( 15.674 -11.531 -11.234) 22.469 20.557 ( 1.725 2.599 1.709) 3.557 20.714 ( 0.190 5.330 -3.262) 6.252 21.000 ( 2.901 -2.791 4.086) 5.736 21.632 ( 29.448 -25.676 -30.273) 49.426 23.650 ( 0.444 0.707 1.308) 1.551 23.680 ( 1.574 1.714 -6.319) 6.734 23.710 ( 0.239 1.443 0.819) 1.676 23.834 ( -1.656 3.414 5.049) 6.316 23.926 ( -3.170 -3.133 12.895) 13.644 24.010 ( 1.151 0.595 3.652) 3.875 24.148 ( -0.740 -0.391 0.057) 0.838 24.292 ( 1.536 -2.932 0.300) 3.324 24.458 ( -0.532 3.416 1.861) 3.926 24.764 ( 0.705 -2.319 3.974) 4.655 24.853 ( -1.788 5.029 -4.210) 6.797 25.169 ( 1.345 -2.979 -3.043) 4.465 25.551 ( -0.769 -2.180 -1.083) 2.553 25.638 ( 0.553 -2.054 1.713) 2.731 25.686 ( 0.544 -2.290 1.638) 2.867 25.711 ( 5.433 -9.180 6.432) 12.456 25.801 ( 1.689 0.129 3.391) 3.790 25.929 ( 4.861 -0.699 -0.934) 4.999 26.348 ( 4.977 -2.513 5.997) 8.188 26.528 ( -0.802 -1.461 -0.915) 1.901 26.727 ( 3.164 5.997 2.061) 7.087 27.711 ( -1.362 -10.981 -4.580) 11.975 28.101 ( -23.462 18.355 0.056) 29.789 28.184 ( -6.591 5.203 2.354) 8.721 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 20.611 12.076 14.808) 28.105 1.479 ( 27.083 11.250 13.395) 32.241 2.369 ( 10.504 7.824 12.301) 17.968 2.458 ( 9.582 5.068 8.690) 13.893 2.698 ( 6.395 5.116 4.036) 9.130 2.985 ( 1.801 -2.937 -11.041) 11.566 3.105 ( 1.238 -2.793 -5.086) 5.933 3.212 ( 9.656 -2.153 2.383) 10.176 3.272 ( 6.922 2.812 -3.705) 8.339 3.409 ( 5.473 -1.248 -1.815) 5.899 3.568 ( -0.667 3.453 -0.139) 3.519 3.643 ( 3.242 4.271 -2.065) 5.746 3.716 ( -8.856 1.670 -4.006) 9.862 3.862 ( -3.761 -1.607 -0.007) 4.090 3.959 ( -12.129 2.242 2.970) 12.687 4.032 ( 1.700 -12.939 4.438) 13.784 4.209 ( -5.923 -1.442 0.280) 6.102 4.404 ( -7.593 -6.588 -2.050) 10.260 4.444 ( -10.130 -2.902 1.942) 10.715 4.508 ( -6.966 0.005 -4.340) 8.207 4.637 ( -10.065 7.821 0.733) 12.768 4.858 ( -2.922 1.129 -1.079) 3.313 4.939 ( -7.620 5.195 -12.238) 15.324 5.152 ( -4.664 -3.086 4.719) 7.318 5.334 ( -5.664 1.585 -2.776) 6.504 5.400 ( -2.416 9.060 3.734) 10.093 5.592 ( 1.707 3.013 0.240) 3.471 5.659 ( 4.244 -6.713 1.534) 8.089 5.774 ( -3.030 -2.911 -3.364) 5.382 5.933 ( -0.371 -1.785 -3.237) 3.715 6.050 ( 0.215 -1.068 0.460) 1.182 6.245 ( 4.511 -4.683 5.155) 8.298 6.350 ( 0.496 -0.552 -1.734) 1.886 6.393 ( 2.545 2.189 2.332) 4.088 6.465 ( -0.785 -3.399 5.020) 6.112 6.550 ( 13.701 -3.092 4.008) 14.606 6.604 ( -1.529 -4.688 -0.471) 4.954 6.696 ( -0.673 -4.634 -5.093) 6.919 6.831 ( 3.595 -0.978 0.690) 3.789 6.924 ( -1.301 5.774 -2.238) 6.328 6.984 ( -1.149 3.814 -8.670) 9.541 7.066 ( 1.748 2.268 5.989) 6.638 7.142 ( 1.555 1.675 0.077) 2.286 7.268 ( -1.963 3.615 -4.821) 6.337 7.421 ( 3.798 9.098 1.074) 9.917 7.502 ( -7.908 0.318 5.343) 9.549 7.598 ( 1.743 -3.581 2.024) 4.468 7.799 ( -3.120 1.097 0.181) 3.313 7.898 ( 1.970 -6.836 -3.867) 8.097 7.913 ( 2.393 1.906 -1.990) 3.650 8.049 ( -2.470 3.393 4.966) 6.502 8.208 ( -0.274 -1.086 0.537) 1.242 8.534 ( -10.598 1.486 1.428) 10.796 8.732 ( -5.384 3.286 -15.695) 16.915 8.803 ( -6.814 11.402 -1.006) 13.321 8.937 ( 0.666 6.976 2.766) 7.534 8.981 ( 11.991 -6.870 2.667) 14.075 9.115 ( 4.913 -1.839 -1.173) 5.376 9.342 ( 1.087 -1.481 7.374) 7.599 9.482 ( 3.703 -5.841 2.915) 7.505 9.715 ( 3.213 -5.555 -2.040) 6.734 9.911 ( 0.130 1.986 -0.489) 2.049 9.970 ( -4.056 1.043 6.042) 7.352 10.113 ( -1.777 -3.048 1.866) 3.991 10.251 ( -3.711 -5.754 -3.624) 7.747 10.384 ( 3.301 3.920 6.365) 8.171 10.548 ( 2.837 -8.871 -7.316) 11.844 10.609 ( 3.599 2.310 2.396) 4.902 10.709 ( 0.051 1.237 -0.163) 1.249 11.023 ( 1.515 -7.097 -3.670) 8.132 11.150 ( -2.452 -3.854 -12.506) 13.314 11.222 ( 3.937 -6.289 9.748) 12.251 11.265 ( -2.721 -1.076 0.133) 2.929 11.412 ( 3.069 1.755 -6.508) 7.406 11.504 ( 4.328 1.781 7.809) 9.104 11.696 ( 1.711 0.706 9.540) 9.718 11.932 ( 2.195 -8.123 -6.740) 10.781 12.205 ( -4.108 0.128 -4.854) 6.360 12.538 ( -1.538 2.054 1.963) 3.231 12.726 ( 1.884 1.191 -1.426) 2.647 12.764 ( -5.279 -3.370 0.983) 6.340 12.879 ( -4.748 6.312 -12.423) 14.721 13.088 ( 1.956 -0.103 4.869) 5.248 13.422 ( -0.469 9.467 -5.746) 11.084 13.547 ( 5.432 -3.530 3.046) 7.159 13.654 ( 1.605 -9.673 7.781) 12.517 13.884 ( 3.536 4.621 0.285) 5.826 14.013 ( 0.169 -1.644 2.261) 2.800 14.228 ( -4.586 2.171 -1.169) 5.207 14.491 ( -5.296 1.412 2.219) 5.913 14.672 ( 6.868 3.619 3.925) 8.699 14.794 ( -0.954 -0.448 -0.453) 1.147 15.224 ( -0.039 -5.586 -0.840) 5.649 15.309 ( 0.571 -0.826 -1.652) 1.933 15.374 ( 0.718 -0.455 1.799) 1.990 15.505 ( 0.010 -2.319 0.820) 2.460 15.730 ( -5.266 1.223 4.183) 6.835 15.854 ( 2.786 -0.009 0.704) 2.873 16.004 ( 0.510 0.416 -3.250) 3.316 16.177 ( -3.240 4.672 1.231) 5.817 16.499 ( 5.660 5.280 2.005) 7.996 17.021 ( 3.913 10.561 -2.066) 11.450 17.531 ( -2.803 -4.355 -2.566) 5.780 18.106 ( 5.967 -7.002 -8.207) 12.328 20.616 ( 2.687 2.775 4.446) 5.889 20.747 ( 4.695 3.624 -5.622) 8.172 21.104 ( 4.954 -3.960 7.057) 9.488 21.780 ( 9.632 -19.040 -31.907) 38.384 23.669 ( 0.854 0.422 1.039) 1.409 23.702 ( 2.519 0.497 -0.625) 2.643 23.726 ( 1.179 1.236 0.572) 1.801 23.845 ( -0.094 2.992 3.171) 4.361 23.926 ( -4.301 -2.631 11.024) 12.122 24.073 ( 4.183 2.020 1.735) 4.959 24.134 ( -0.821 -0.801 0.365) 1.204 24.329 ( 2.000 -2.396 0.448) 3.153 24.466 ( -0.565 3.836 2.993) 4.898 24.800 ( 1.013 -0.456 1.216) 1.647 24.838 ( 1.643 1.280 -1.347) 2.480 25.111 ( -3.603 -0.642 -4.142) 5.527 25.520 ( -1.445 -1.356 -1.675) 2.595 25.615 ( -2.254 -1.002 -0.646) 2.549 25.677 ( -1.349 -0.460 0.790) 1.630 25.800 ( 3.309 -3.796 0.335) 5.047 25.902 ( 3.765 -2.612 5.398) 7.080 26.011 ( 4.317 -2.085 0.151) 4.796 26.441 ( 0.756 -4.495 2.192) 5.058 26.513 ( 0.045 -2.530 0.841) 2.666 26.838 ( 6.412 4.725 4.935) 9.370 27.633 ( -2.748 -2.451 -9.012) 9.735 27.796 ( -12.868 10.294 9.066) 18.808 28.059 ( -7.561 2.978 -1.602) 8.282 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 16.243 4.676 11.947) 20.699 2.012 ( 22.241 9.213 11.295) 26.592 2.434 ( -3.050 -0.806 0.641) 3.219 2.535 ( 7.221 -2.152 -1.461) 7.675 2.853 ( -3.377 -0.412 -4.836) 5.913 3.037 ( 0.945 -0.726 4.181) 4.347 3.063 ( 0.569 -1.061 -0.992) 1.560 3.336 ( 3.781 3.043 3.559) 6.019 3.383 ( -11.071 -1.417 3.327) 11.647 3.456 ( 7.734 0.278 -7.220) 10.584 3.537 ( -5.303 5.928 -4.213) 9.001 3.606 ( 12.711 3.457 -0.189) 13.174 3.698 ( -0.610 2.381 1.520) 2.890 3.806 ( -0.189 1.433 0.191) 1.458 3.940 ( 4.586 2.379 5.777) 7.750 4.080 ( -3.821 -4.863 5.971) 8.597 4.100 ( -0.991 -6.557 -7.254) 9.829 4.237 ( -7.655 0.921 -0.966) 7.770 4.282 ( -3.906 -0.780 0.115) 3.984 4.430 ( -0.368 -2.530 -3.654) 4.460 4.517 ( -5.540 6.910 6.452) 10.957 4.764 ( -4.302 3.365 -8.434) 10.047 4.843 ( 0.959 -4.545 -0.846) 4.721 5.085 ( -5.665 -11.013 -2.961) 12.734 5.183 ( -5.879 9.521 1.858) 11.343 5.369 ( -2.994 8.410 2.802) 9.357 5.571 ( -2.823 1.134 -7.361) 7.965 5.681 ( 0.072 3.318 0.782) 3.410 5.822 ( 6.354 -8.329 5.381) 11.777 5.857 ( -4.012 -5.199 -1.930) 6.844 6.091 ( 1.992 -3.882 0.980) 4.472 6.257 ( -6.256 3.849 1.067) 7.422 6.300 ( -7.331 0.349 -6.717) 9.949 6.319 ( -1.678 -4.861 2.845) 5.877 6.565 ( 7.660 -6.340 -0.425) 9.953 6.606 ( -0.627 -2.786 -4.711) 5.509 6.618 ( -2.845 -1.467 -1.153) 3.402 6.797 ( -0.810 -3.563 2.882) 4.653 6.802 ( 2.430 0.733 6.444) 6.926 6.924 ( 1.768 2.952 -10.241) 10.803 6.974 ( 6.615 6.291 3.450) 9.759 7.137 ( 1.522 2.178 0.827) 2.783 7.193 ( 2.643 -0.350 1.720) 3.173 7.276 ( 5.078 5.242 0.578) 7.320 7.405 ( -3.130 3.147 3.078) 5.401 7.552 ( 4.257 4.778 1.051) 6.485 7.669 ( 4.560 2.012 -2.318) 5.497 7.763 ( -1.760 3.860 4.909) 6.488 7.877 ( -1.874 0.545 1.269) 2.328 7.988 ( 3.601 -3.218 -1.993) 5.225 8.024 ( 0.067 2.676 0.160) 2.682 8.179 ( -3.390 0.568 1.396) 3.710 8.386 ( -6.467 2.376 6.391) 9.397 8.526 ( -5.506 4.904 -16.434) 18.012 8.653 ( -7.710 10.875 -2.360) 13.539 8.926 ( -1.792 3.931 0.823) 4.398 9.158 ( 2.929 -6.987 -0.456) 7.590 9.249 ( 9.369 -6.808 1.796) 11.720 9.436 ( 3.882 -4.730 9.399) 11.216 9.542 ( 0.465 -10.436 3.484) 11.012 9.725 ( -0.060 -6.867 -2.622) 7.351 9.878 ( -1.547 -6.525 -2.791) 7.263 9.997 ( 3.272 3.679 5.627) 7.477 10.085 ( -2.254 -6.507 2.968) 7.498 10.184 ( -3.205 3.806 -1.989) 5.358 10.494 ( 2.026 3.185 8.970) 9.731 10.545 ( 3.195 -7.856 -8.551) 12.043 10.647 ( 0.023 3.927 -0.076) 3.928 10.720 ( 2.339 0.670 -0.495) 2.483 10.844 ( -9.874 -10.622 -14.703) 20.652 11.107 ( 0.967 -2.986 -4.680) 5.635 11.226 ( -0.900 -4.068 -0.893) 4.261 11.333 ( -0.002 -1.195 9.258) 9.335 11.473 ( 6.008 -3.486 -0.987) 7.016 11.545 ( -3.362 -0.319 0.651) 3.439 11.790 ( 2.859 2.764 8.131) 9.051 11.942 ( 3.124 -5.317 -1.695) 6.396 12.164 ( 1.536 6.265 -4.756) 8.014 12.460 ( -5.736 3.285 1.063) 6.695 12.666 ( -2.621 2.610 -8.996) 9.726 12.705 ( -3.732 5.784 -0.370) 6.894 12.929 ( 7.578 7.604 7.252) 12.955 13.155 ( 2.622 -0.046 1.935) 3.259 13.328 ( -1.574 11.823 -12.452) 17.243 13.643 ( 2.765 -5.264 3.432) 6.865 13.698 ( -0.685 -4.474 5.458) 7.091 13.930 ( 0.909 -0.075 -0.491) 1.036 14.038 ( 1.394 -1.526 0.982) 2.288 14.179 ( -0.749 -0.377 0.789) 1.151 14.391 ( -6.311 0.613 1.001) 6.420 14.772 ( -1.000 -1.873 0.569) 2.198 14.852 ( 8.772 -0.423 3.995) 9.648 15.223 ( 0.369 -4.187 -1.220) 4.377 15.310 ( 0.955 -2.003 -2.198) 3.123 15.376 ( -1.076 1.286 -0.037) 1.677 15.510 ( 0.362 -4.318 1.244) 4.508 15.648 ( -4.928 0.785 0.015) 4.990 15.842 ( -5.294 2.116 1.696) 5.948 15.946 ( -1.103 0.283 0.361) 1.195 16.218 ( 3.639 1.811 -0.320) 4.077 16.607 ( 4.719 7.534 0.987) 8.945 17.092 ( 4.239 9.796 -1.410) 10.766 17.466 ( -2.930 -4.932 -0.813) 5.794 18.142 ( 2.233 -4.530 -3.937) 6.403 20.694 ( 2.014 3.403 6.539) 7.641 20.787 ( 3.380 2.764 -7.336) 8.537 21.248 ( 5.081 -5.640 9.975) 12.535 21.702 ( 0.767 -12.708 -23.094) 26.370 23.686 ( 0.533 0.330 0.327) 0.707 23.737 ( 0.862 -0.243 1.146) 1.455 23.766 ( 3.104 -0.091 -0.921) 3.239 23.858 ( -0.075 3.060 1.660) 3.482 23.903 ( -3.435 -2.510 6.142) 7.471 24.124 ( -0.527 -0.968 0.507) 1.213 24.172 ( 5.286 3.165 1.554) 6.354 24.356 ( 0.288 -1.330 0.574) 1.477 24.464 ( -1.086 4.195 1.754) 4.675 24.815 ( 1.140 0.340 -1.545) 1.950 24.878 ( 1.793 -1.234 1.881) 2.877 25.024 ( -3.228 -0.922 -3.162) 4.612 25.488 ( -0.912 -0.203 -1.297) 1.598 25.567 ( -2.146 -0.962 -0.735) 2.463 25.658 ( -0.900 0.214 0.227) 0.953 25.850 ( 1.829 -1.600 0.338) 2.454 25.975 ( 2.112 -0.369 1.873) 2.847 26.086 ( 3.358 -5.142 1.237) 6.265 26.418 ( -1.900 -0.885 -1.483) 2.567 26.532 ( 0.424 -2.337 1.487) 2.803 26.980 ( 5.458 5.489 4.124) 8.771 27.542 ( -2.154 4.883 -4.442) 6.943 27.685 ( -5.091 -1.221 4.845) 7.134 27.916 ( -6.349 0.128 -1.917) 6.634 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 2.815 -0.000) 2.815 2.299 ( 0.000 14.644 0.000) 14.644 2.357 ( 0.000 -7.030 0.000) 7.030 2.684 ( 0.000 -0.472 0.000) 0.472 2.805 ( 0.000 -5.463 0.000) 5.463 2.897 ( 0.000 -0.900 0.000) 0.900 3.131 ( 0.000 1.684 0.000) 1.684 3.248 ( 0.000 -3.769 0.000) 3.769 3.407 ( -0.000 9.684 -0.000) 9.684 3.425 ( 0.000 2.618 0.000) 2.618 3.525 ( 0.000 -4.115 -0.000) 4.115 3.648 ( 0.000 3.969 0.000) 3.969 3.753 ( 0.000 3.155 -0.000) 3.155 3.878 ( 0.000 -7.377 0.000) 7.377 3.968 ( -0.000 4.529 0.000) 4.529 3.980 ( 0.000 -2.599 -0.000) 2.599 4.130 ( 0.000 -9.551 0.000) 9.551 4.158 ( -0.000 3.073 -0.000) 3.073 4.334 ( 0.000 7.149 0.000) 7.149 4.428 ( 0.000 -4.043 0.000) 4.043 4.484 ( 0.000 10.827 0.000) 10.827 4.695 ( 0.000 -0.423 -0.000) 0.423 4.864 ( 0.000 -9.950 0.000) 9.950 4.957 ( 0.000 -5.846 0.000) 5.846 5.173 ( 0.000 4.761 0.000) 4.761 5.342 ( 0.000 3.128 0.000) 3.128 5.504 ( 0.000 16.410 0.000) 16.410 5.692 ( 0.000 2.832 0.000) 2.832 5.803 ( -0.000 -6.455 0.000) 6.455 5.959 ( 0.000 -10.862 0.000) 10.862 6.044 ( -0.000 -3.760 0.000) 3.760 6.196 ( 0.000 8.738 0.000) 8.738 6.234 ( -0.000 -1.723 0.000) 1.723 6.264 ( 0.000 -5.999 0.000) 5.999 6.541 ( -0.000 -3.971 -0.000) 3.971 6.626 ( 0.000 -2.949 -0.000) 2.949 6.640 ( -0.000 -5.671 0.000) 5.671 6.797 ( 0.000 -10.143 0.000) 10.143 6.864 ( 0.000 5.802 -0.000) 5.802 6.899 ( 0.000 3.443 0.000) 3.443 7.082 ( 0.000 6.473 0.000) 6.473 7.133 ( -0.000 2.978 -0.000) 2.978 7.203 ( 0.000 -0.225 0.000) 0.225 7.346 ( 0.000 2.701 0.000) 2.701 7.424 ( 0.000 5.876 0.000) 5.876 7.590 ( 0.000 -4.516 0.000) 4.516 7.661 ( 0.000 10.190 0.000) 10.190 7.802 ( 0.000 9.422 0.000) 9.422 7.850 ( 0.000 1.144 0.000) 1.144 7.978 ( 0.000 -4.242 0.000) 4.242 8.098 ( -0.000 3.080 0.000) 3.080 8.131 ( 0.000 0.594 0.000) 0.594 8.372 ( 0.000 4.999 0.000) 4.999 8.394 ( 0.000 2.965 -0.000) 2.965 8.556 ( 0.000 10.011 0.000) 10.011 8.907 ( 0.000 1.516 0.000) 1.516 9.181 ( 0.000 -8.310 0.000) 8.310 9.350 ( 0.000 -8.151 -0.000) 8.151 9.503 ( 0.000 -12.429 0.000) 12.429 9.543 ( 0.000 -6.441 0.000) 6.441 9.730 ( 0.000 -1.149 0.000) 1.149 9.869 ( 0.000 -12.087 0.000) 12.087 10.065 ( -0.000 -12.932 0.000) 12.932 10.066 ( 0.000 6.656 -0.000) 6.656 10.127 ( 0.000 10.967 0.000) 10.967 10.541 ( 0.000 -1.463 0.000) 1.463 10.572 ( 0.000 -7.579 0.000) 7.579 10.649 ( -1.960 -7.315 -0.544) 7.592 10.650 ( 1.960 1.095 0.544) 2.310 10.761 ( 0.000 1.934 0.000) 1.934 11.090 ( 0.000 -2.297 0.000) 2.297 11.217 ( 0.000 -5.367 0.000) 5.367 11.383 ( 0.000 -2.970 0.000) 2.970 11.448 ( 0.000 0.006 0.000) 0.006 11.557 ( 0.000 -6.847 -0.000) 6.847 11.848 ( 0.000 3.797 0.000) 3.797 11.988 ( 0.000 -3.003 0.000) 3.003 12.165 ( 0.000 9.037 0.000) 9.037 12.402 ( 0.000 3.955 -0.000) 3.955 12.593 ( 0.000 14.430 0.000) 14.430 12.685 ( -0.000 -2.211 0.000) 2.211 13.041 ( 0.000 8.065 0.000) 8.065 13.161 ( 0.000 10.579 -0.000) 10.579 13.292 ( 0.000 2.002 -0.000) 2.002 13.683 ( 0.000 -10.494 0.000) 10.494 13.699 ( 0.000 1.893 0.000) 1.893 13.931 ( 0.000 -0.832 0.000) 0.832 14.058 ( 0.000 0.731 -0.000) 0.731 14.186 ( 0.000 -4.400 0.000) 4.400 14.319 ( -0.000 1.716 0.000) 1.716 14.764 ( 0.000 -2.480 0.000) 2.480 14.964 ( 0.000 -1.662 0.000) 1.662 15.220 ( 0.000 -3.245 -0.000) 3.245 15.318 ( 0.000 -5.086 -0.000) 5.086 15.354 ( -0.000 3.606 0.000) 3.606 15.536 ( 0.000 -6.325 0.000) 6.325 15.575 ( -0.000 -0.215 0.000) 0.215 15.788 ( 0.000 7.121 0.000) 7.121 15.944 ( 0.000 -2.291 -0.000) 2.291 16.252 ( 0.000 1.162 -0.000) 1.162 16.657 ( 0.000 8.261 0.000) 8.261 17.132 ( 0.000 10.349 -0.000) 10.349 17.433 ( 0.000 -5.751 0.000) 5.751 18.150 ( 0.000 -3.857 -0.000) 3.857 20.740 ( 0.000 4.578 0.000) 4.578 20.789 ( 0.000 1.511 -0.000) 1.511 21.347 ( 0.000 -6.767 -0.000) 6.767 21.617 ( 0.000 -10.222 0.000) 10.222 23.692 ( -0.000 0.335 0.000) 0.335 23.748 ( 0.000 -0.516 0.000) 0.516 23.800 ( 0.000 -1.004 -0.000) 1.004 23.858 ( 0.000 4.248 0.000) 4.248 23.886 ( 0.000 -3.275 0.000) 3.275 24.121 ( 0.000 -1.081 0.000) 1.081 24.242 ( 0.000 3.814 0.000) 3.814 24.348 ( 0.000 -0.036 0.000) 0.036 24.458 ( 0.000 3.470 0.000) 3.470 24.823 ( 0.000 -0.212 -0.000) 0.212 24.905 ( 0.000 -0.842 0.000) 0.842 24.978 ( 0.000 -1.888 0.000) 1.888 25.476 ( 0.000 0.524 0.000) 0.524 25.544 ( 0.000 -1.057 0.000) 1.057 25.650 ( 0.000 0.366 0.000) 0.366 25.867 ( 0.000 -0.723 0.000) 0.723 26.000 ( 0.000 0.327 0.000) 0.327 26.126 ( 0.000 -7.474 0.000) 7.474 26.391 ( 0.000 0.638 0.000) 0.638 26.540 ( 0.000 -1.508 0.000) 1.508 27.048 ( 0.000 6.959 0.000) 6.959 27.512 ( 0.000 5.336 -0.000) 5.336 27.652 ( 0.000 -3.084 0.000) 3.084 27.845 ( 0.000 -1.736 0.000) 1.736 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 29.809 0.000) 29.809 1.563 ( 0.000 37.208 0.000) 37.208 2.296 ( 0.000 11.866 0.000) 11.866 2.358 ( 0.000 11.513 0.000) 11.513 2.729 ( 0.000 4.376 0.000) 4.376 2.792 ( 0.000 -13.971 0.000) 13.971 2.851 ( 0.000 3.392 0.000) 3.392 2.944 ( 0.000 -8.074 0.000) 8.074 3.178 ( 0.000 -3.272 0.000) 3.272 3.297 ( 0.000 0.908 0.000) 0.908 3.504 ( 0.000 -5.778 0.000) 5.778 3.713 ( 0.000 0.854 0.000) 0.854 3.716 ( 0.000 -5.731 0.000) 5.731 3.849 ( 0.000 -2.963 0.000) 2.963 3.986 ( 0.000 4.201 0.000) 4.201 4.205 ( 0.000 -3.580 0.000) 3.580 4.387 ( 0.000 -4.962 0.000) 4.962 4.451 ( 0.000 -4.064 0.000) 4.064 4.678 ( 0.000 -3.854 0.000) 3.854 4.729 ( 0.000 -2.080 0.000) 2.080 4.977 ( 0.000 4.866 0.000) 4.866 5.071 ( 0.000 -3.063 0.000) 3.063 5.293 ( 0.000 8.149 0.000) 8.149 5.360 ( 0.000 4.917 0.000) 4.917 5.382 ( 0.000 0.442 0.000) 0.442 5.501 ( 0.000 -3.298 0.000) 3.298 5.594 ( 0.000 5.356 0.000) 5.356 5.685 ( 0.000 9.409 0.000) 9.409 5.795 ( 0.000 7.401 0.000) 7.401 5.916 ( 0.000 -9.360 0.000) 9.360 5.950 ( 0.000 5.954 0.000) 5.954 6.022 ( 0.000 6.654 0.000) 6.654 6.154 ( 0.000 -4.431 0.000) 4.431 6.325 ( 0.000 4.075 0.000) 4.075 6.341 ( 0.000 -11.264 0.000) 11.264 6.485 ( 0.000 0.010 0.000) 0.010 6.557 ( 0.000 -7.932 0.000) 7.932 6.566 ( 0.000 -3.986 0.000) 3.986 6.767 ( 0.000 -2.054 0.000) 2.054 6.813 ( 0.000 -3.429 0.000) 3.429 7.015 ( 0.000 4.045 0.000) 4.045 7.072 ( 0.000 1.543 0.000) 1.543 7.159 ( 0.000 -3.917 0.000) 3.917 7.255 ( 0.000 -6.694 0.000) 6.694 7.393 ( 0.000 9.842 0.000) 9.842 7.624 ( 0.000 -6.383 0.000) 6.383 7.627 ( 0.000 -7.087 0.000) 7.087 7.809 ( 0.000 -3.675 0.000) 3.675 7.982 ( 0.000 2.924 0.000) 2.924 8.032 ( 0.000 6.997 0.000) 6.997 8.077 ( 0.000 -2.329 0.000) 2.329 8.338 ( 0.000 -3.138 0.000) 3.138 8.459 ( 0.000 -1.826 0.000) 1.826 8.607 ( 0.000 -6.773 0.000) 6.773 8.844 ( 0.000 4.769 0.000) 4.769 8.993 ( 0.000 -2.590 0.000) 2.590 9.075 ( 0.000 4.549 0.000) 4.549 9.304 ( 0.000 -4.915 0.000) 4.915 9.451 ( 0.000 10.375 0.000) 10.375 9.579 ( 0.000 6.376 0.000) 6.376 9.621 ( 0.000 9.503 0.000) 9.503 9.850 ( 0.000 1.972 0.000) 1.972 10.042 ( 0.000 11.222 0.000) 11.222 10.109 ( 0.000 2.201 0.000) 2.201 10.207 ( 0.000 2.032 0.000) 2.032 10.313 ( 0.000 -0.327 0.000) 0.327 10.386 ( 0.000 4.568 0.000) 4.568 10.512 ( 0.000 -2.081 0.000) 2.081 10.613 ( 0.000 -7.302 0.000) 7.302 10.619 ( 0.000 -7.313 0.000) 7.313 10.889 ( 0.000 -9.092 0.000) 9.092 11.040 ( 0.000 -12.742 0.000) 12.742 11.298 ( 0.000 7.720 0.000) 7.720 11.429 ( 0.000 2.551 0.000) 2.551 11.590 ( 0.000 3.478 0.000) 3.478 11.635 ( 0.000 0.552 0.000) 0.552 11.899 ( 0.000 0.637 0.000) 0.637 12.052 ( 0.000 -12.559 0.000) 12.559 12.673 ( 0.000 4.369 0.000) 4.369 12.795 ( 0.000 -2.659 0.000) 2.659 12.852 ( 0.000 -2.683 0.000) 2.683 12.926 ( 0.000 -3.800 0.000) 3.800 12.956 ( 0.000 -10.639 0.000) 10.639 13.023 ( 0.000 -10.667 0.000) 10.667 13.524 ( 0.000 8.169 0.000) 8.169 13.547 ( 0.000 5.161 0.000) 5.161 13.925 ( 0.000 0.616 0.000) 0.616 14.061 ( 0.000 -1.897 0.000) 1.897 14.565 ( 0.000 5.854 0.000) 5.854 14.661 ( 0.000 5.449 0.000) 5.449 14.710 ( 0.000 -1.900 0.000) 1.900 14.832 ( 0.000 -0.888 0.000) 0.888 15.031 ( 0.000 1.542 0.000) 1.542 15.195 ( 0.000 -4.724 0.000) 4.724 15.519 ( 0.000 6.720 0.000) 6.720 15.560 ( 0.000 3.026 0.000) 3.026 15.644 ( 0.000 2.124 0.000) 2.124 15.821 ( 0.000 5.587 0.000) 5.587 15.823 ( 0.000 -5.664 0.000) 5.664 16.190 ( 0.000 -7.927 0.000) 7.927 16.782 ( 0.000 15.716 0.000) 15.716 17.138 ( 0.000 -1.832 0.000) 1.832 17.612 ( 0.000 -1.346 0.000) 1.346 17.653 ( 0.000 -2.569 0.000) 2.569 20.613 ( 0.000 4.671 0.000) 4.671 20.843 ( 0.000 -5.822 0.000) 5.822 20.905 ( 0.000 5.400 0.000) 5.400 21.138 ( 0.000 -4.923 0.000) 4.923 23.662 ( 0.000 1.251 0.000) 1.251 23.698 ( 0.000 -0.202 0.000) 0.202 23.746 ( 0.000 2.342 0.000) 2.342 23.847 ( 0.000 -2.733 0.000) 2.733 23.900 ( 0.000 2.565 0.000) 2.565 23.981 ( 0.000 -1.018 0.000) 1.018 24.156 ( 0.000 0.191 0.000) 0.191 24.209 ( 0.000 -2.891 0.000) 2.891 24.525 ( 0.000 3.312 0.000) 3.312 24.678 ( 0.000 -3.728 0.000) 3.728 25.006 ( 0.000 1.175 0.000) 1.175 25.030 ( 0.000 -0.031 0.000) 0.031 25.516 ( 0.000 0.593 0.000) 0.593 25.576 ( 0.000 -0.238 0.000) 0.238 25.598 ( 0.000 -1.814 0.000) 1.814 25.618 ( 0.000 -3.732 0.000) 3.732 25.824 ( 0.000 1.327 0.000) 1.327 25.869 ( 0.000 -0.695 0.000) 0.695 26.368 ( 0.000 4.170 0.000) 4.170 26.499 ( 0.000 -2.413 0.000) 2.413 26.877 ( 0.000 11.529 0.000) 11.529 27.452 ( 0.000 -14.830 0.000) 14.830 28.327 ( 0.000 3.891 0.000) 3.891 28.429 ( 0.000 -1.645 0.000) 1.645 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 15.013 23.982 5.050) 28.741 1.570 ( 2.870 35.125 -1.432) 35.271 2.288 ( -2.223 -15.419 2.130) 15.723 2.513 ( 11.823 30.377 11.444) 34.547 2.769 ( -1.824 -1.462 -5.501) 5.976 2.812 ( 6.650 -3.388 -0.925) 7.520 2.907 ( 9.577 -3.256 4.048) 10.895 3.005 ( 5.798 -3.101 -1.677) 6.786 3.226 ( 4.474 -5.449 0.440) 7.064 3.324 ( 3.180 4.671 -2.046) 6.010 3.545 ( 2.331 -5.524 5.888) 8.404 3.653 ( -2.313 -6.299 -2.012) 7.005 3.742 ( 0.262 3.745 -0.345) 3.770 3.841 ( 0.303 -1.587 -4.611) 4.886 3.970 ( -1.935 1.599 -1.157) 2.764 4.143 ( -5.965 -3.149 -2.414) 7.164 4.335 ( -6.124 -4.280 3.019) 8.058 4.364 ( -7.505 -3.405 0.610) 8.264 4.565 ( -9.021 -0.734 0.486) 9.064 4.673 ( -7.984 -3.088 -1.261) 8.653 4.908 ( -3.300 4.076 -8.066) 9.621 5.045 ( -4.639 0.448 -2.714) 5.393 5.198 ( -7.266 7.550 3.215) 10.961 5.298 ( -2.516 5.846 2.433) 6.814 5.396 ( -5.811 1.675 -0.605) 6.077 5.498 ( -0.044 -1.403 -3.422) 3.699 5.556 ( -3.569 1.227 3.212) 4.956 5.688 ( -3.931 1.958 -5.863) 7.325 5.791 ( 1.688 0.069 8.755) 8.916 5.945 ( 1.200 -1.578 -0.353) 2.014 6.017 ( 9.380 -1.580 1.443) 9.621 6.108 ( 6.310 6.869 -1.120) 9.394 6.207 ( 5.838 -1.512 4.075) 7.278 6.263 ( -4.077 3.596 -2.154) 5.847 6.342 ( -5.100 -4.518 3.689) 7.748 6.453 ( 0.451 -4.686 1.895) 5.074 6.564 ( 2.275 -5.423 1.534) 6.077 6.607 ( -1.760 -3.360 0.636) 3.846 6.711 ( -0.564 -4.221 1.273) 4.444 6.900 ( 6.064 -4.229 -0.783) 7.435 7.016 ( 0.099 3.411 1.781) 3.849 7.110 ( 1.355 1.112 2.529) 3.077 7.127 ( -4.003 -1.929 4.465) 6.300 7.292 ( 5.291 -7.366 0.177) 9.072 7.425 ( 3.314 8.638 -4.530) 10.302 7.544 ( -0.505 -1.756 -2.710) 3.269 7.659 ( -1.417 -3.867 -3.301) 5.278 7.847 ( 1.391 -1.099 5.195) 5.490 7.939 ( -1.949 6.066 -4.264) 7.667 8.004 ( -3.097 5.606 3.158) 7.141 8.125 ( 3.869 -3.169 -4.078) 6.453 8.183 ( -10.184 2.423 0.954) 10.512 8.539 ( 8.418 -5.713 0.104) 10.174 8.670 ( 3.440 -7.520 -5.660) 10.021 8.808 ( -2.764 4.715 2.926) 6.199 9.033 ( 1.317 -2.696 3.219) 4.400 9.075 ( -0.248 5.399 1.268) 5.551 9.260 ( -6.716 13.281 -10.239) 18.065 9.352 ( 4.555 -4.458 -0.890) 6.435 9.480 ( -5.605 8.934 -10.474) 14.864 9.687 ( -4.718 1.578 -4.456) 6.679 9.899 ( 5.650 -8.509 -7.508) 12.677 10.005 ( -1.808 4.023 1.220) 4.576 10.088 ( -0.629 2.468 1.912) 3.185 10.151 ( -3.796 -3.556 -2.410) 5.733 10.354 ( 4.633 4.700 0.409) 6.612 10.478 ( -1.378 3.394 10.684) 11.294 10.559 ( 4.499 0.193 0.470) 4.528 10.653 ( 4.338 -1.615 5.620) 7.281 10.766 ( 9.482 -12.227 5.974) 16.586 10.910 ( 7.264 -4.175 -7.392) 11.173 11.085 ( 2.787 -7.630 -3.357) 8.789 11.333 ( 0.870 4.206 8.270) 9.319 11.427 ( -0.017 -0.567 1.525) 1.627 11.501 ( -3.857 3.147 -3.641) 6.167 11.643 ( -3.383 -1.295 5.277) 6.400 11.840 ( -0.855 0.020 -2.166) 2.329 12.121 ( 3.724 -9.617 -0.464) 10.323 12.623 ( -4.033 3.890 0.366) 5.615 12.729 ( -3.228 -3.529 -5.373) 7.193 12.813 ( -5.034 -2.715 -2.773) 6.356 12.932 ( 1.521 -5.977 6.777) 9.163 12.971 ( 4.709 -0.975 2.920) 5.626 13.204 ( 6.199 -10.830 17.737) 21.687 13.495 ( 0.936 8.197 -4.628) 9.460 13.614 ( 4.690 3.604 -2.363) 6.369 13.927 ( 0.353 1.137 0.178) 1.204 14.059 ( -0.009 -0.737 -0.157) 0.753 14.456 ( -9.175 6.431 -4.675) 12.141 14.609 ( -4.465 1.597 1.553) 4.990 14.690 ( 0.386 3.316 -3.921) 5.150 14.813 ( -1.295 -1.178 -1.961) 2.629 15.088 ( 3.259 -2.175 1.441) 4.175 15.190 ( -0.709 -4.814 2.715) 5.572 15.494 ( -2.356 6.205 2.276) 7.016 15.568 ( 2.112 7.015 -7.401) 10.414 15.716 ( 3.029 -2.356 4.673) 6.047 15.812 ( -1.759 -0.944 4.688) 5.096 15.904 ( 9.285 -0.083 -6.517) 11.345 16.158 ( -1.355 -7.512 -3.816) 8.534 16.761 ( -2.721 16.649 4.321) 17.414 17.135 ( -0.144 0.255 1.962) 1.984 17.544 ( -1.364 1.029 -5.799) 6.046 17.791 ( 9.578 -8.212 -2.061) 12.784 20.631 ( 1.688 4.565 1.558) 5.110 20.803 ( 0.429 0.945 -2.511) 2.717 20.955 ( 2.514 0.967 2.559) 3.715 21.276 ( 13.451 -12.162 -9.324) 20.391 23.669 ( 0.305 1.113 1.130) 1.615 23.695 ( 0.643 0.183 -1.971) 2.081 23.749 ( 0.088 2.170 0.488) 2.226 23.844 ( -0.050 -2.390 -0.673) 2.484 23.916 ( -0.755 2.219 6.706) 7.103 24.006 ( 2.482 -1.232 0.459) 2.809 24.149 ( -0.467 0.848 0.549) 1.113 24.233 ( 2.009 -2.708 0.786) 3.462 24.531 ( -0.110 3.811 2.930) 4.809 24.699 ( 0.688 -3.869 4.479) 5.958 24.943 ( -1.676 3.969 -3.872) 5.793 25.098 ( 2.226 -3.713 -1.495) 4.580 25.513 ( -0.507 -0.478 -0.016) 0.697 25.597 ( 1.267 -3.296 3.480) 4.958 25.612 ( 0.515 -0.952 1.412) 1.779 25.636 ( 1.927 -2.072 2.095) 3.521 25.827 ( 1.365 1.895 -0.210) 2.345 25.908 ( 3.790 -1.500 -1.420) 4.317 26.379 ( 1.230 3.002 0.112) 3.246 26.491 ( -0.567 -2.190 -0.960) 2.457 26.906 ( 3.092 11.115 0.655) 11.556 27.449 ( 0.544 -13.854 -2.308) 14.056 28.264 ( -6.383 3.084 -1.367) 7.220 28.285 ( -14.181 2.996 1.097) 14.535 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 11.443 22.567 2.883) 25.466 1.747 ( 17.976 16.375 10.003) 26.293 2.310 ( 3.753 -8.717 1.761) 9.652 2.550 ( -4.653 -5.018 -7.135) 9.887 2.929 ( 8.643 0.950 -2.274) 8.988 2.934 ( 7.254 8.606 10.790) 15.592 3.058 ( 0.648 3.405 -2.574) 4.317 3.153 ( 10.313 -2.347 3.776) 11.230 3.293 ( 8.711 -3.751 1.510) 9.604 3.435 ( 7.096 2.878 -3.130) 8.272 3.571 ( -0.878 -2.321 -0.657) 2.567 3.643 ( 0.660 -5.543 -0.456) 5.600 3.759 ( 0.057 1.011 -3.871) 4.001 3.830 ( 3.188 6.425 2.435) 7.575 3.907 ( -3.701 -2.578 -0.787) 4.579 3.990 ( -7.722 1.349 -0.496) 7.855 4.218 ( -7.621 1.020 5.152) 9.256 4.275 ( -2.792 -4.466 -2.248) 5.727 4.405 ( -8.074 -0.701 0.873) 8.151 4.480 ( -10.634 -3.163 0.073) 11.095 4.791 ( -3.923 4.733 -7.236) 9.495 4.894 ( -9.129 2.061 -5.966) 11.099 5.045 ( -8.226 5.121 -4.534) 10.698 5.130 ( -12.565 3.828 -4.087) 13.756 5.348 ( -2.117 -1.407 5.957) 6.476 5.501 ( -1.369 -0.804 -1.150) 1.961 5.569 ( -0.661 -1.087 9.369) 9.455 5.608 ( 0.847 -3.905 0.479) 4.025 5.812 ( -2.370 5.217 4.719) 7.423 5.913 ( -2.794 4.572 -5.838) 7.924 6.065 ( -4.171 0.887 2.356) 4.872 6.175 ( -0.839 -4.782 2.767) 5.588 6.242 ( -0.455 -7.626 -1.099) 7.718 6.323 ( 1.811 -1.251 7.833) 8.136 6.383 ( -0.636 -6.951 1.347) 7.109 6.499 ( 12.691 0.156 -0.220) 12.694 6.583 ( 2.651 -0.380 0.801) 2.795 6.634 ( 2.329 -1.455 0.136) 2.749 6.760 ( 3.423 -3.072 6.203) 7.722 6.974 ( 2.109 -5.158 -1.058) 5.672 7.062 ( -3.105 3.666 -3.813) 6.133 7.091 ( 4.485 1.749 3.846) 6.161 7.133 ( 3.102 -1.468 2.198) 4.075 7.398 ( 0.456 5.333 -3.128) 6.200 7.446 ( 6.655 -8.568 -2.572) 11.149 7.533 ( -7.640 1.842 -5.968) 9.868 7.650 ( 9.395 11.617 3.054) 15.250 7.828 ( -4.096 3.478 -2.488) 5.921 7.900 ( -0.762 5.827 4.761) 7.564 7.985 ( 0.316 4.406 1.298) 4.604 8.088 ( -0.454 0.343 -3.095) 3.147 8.178 ( 0.845 -1.744 3.742) 4.214 8.573 ( -5.871 0.351 -2.315) 6.321 8.734 ( 7.289 -8.425 1.505) 11.241 8.819 ( 0.975 0.698 -2.498) 2.771 9.037 ( -2.086 -5.705 -3.705) 7.115 9.072 ( -0.534 10.280 2.746) 10.654 9.126 ( -2.663 9.857 -4.468) 11.145 9.324 ( -5.218 2.591 -6.350) 8.617 9.410 ( -0.183 -3.045 0.018) 3.051 9.551 ( -1.325 -5.932 -6.610) 8.980 9.860 ( -8.593 -12.518 -5.804) 16.255 9.920 ( -1.312 -3.441 -3.753) 5.258 10.099 ( -0.142 3.316 2.277) 4.025 10.169 ( 4.766 -2.651 -3.592) 6.530 10.428 ( 2.178 6.320 5.366) 8.572 10.503 ( 1.463 -0.333 0.981) 1.793 10.630 ( 2.878 -2.054 -1.032) 3.683 10.720 ( 0.967 0.771 0.365) 1.290 10.875 ( 3.193 -6.337 -4.516) 8.411 11.019 ( -3.996 -6.233 -12.065) 14.155 11.063 ( 1.927 -8.366 7.417) 11.345 11.326 ( 0.910 5.798 2.374) 6.331 11.443 ( -1.866 1.174 -1.560) 2.700 11.537 ( 1.452 0.286 9.179) 9.297 11.662 ( 4.730 -4.068 7.715) 9.922 11.869 ( 4.028 3.147 -2.101) 5.527 12.154 ( 1.625 -5.475 -0.192) 5.714 12.562 ( -2.110 0.628 -3.302) 3.968 12.718 ( -3.885 2.545 0.336) 4.657 12.743 ( 6.995 -2.159 3.507) 8.117 12.946 ( -1.124 -1.785 1.625) 2.662 13.120 ( 3.330 3.570 13.576) 14.427 13.408 ( 5.580 -9.903 15.832) 19.490 13.504 ( 2.336 4.847 -3.686) 6.522 13.653 ( 2.243 3.930 -6.718) 8.099 13.938 ( 0.117 1.148 1.405) 1.818 14.061 ( 0.477 2.188 -1.471) 2.679 14.271 ( -6.544 4.884 -6.554) 10.470 14.517 ( -5.988 -0.179 -0.815) 6.046 14.703 ( 3.752 0.004 -3.095) 4.863 14.767 ( -2.264 -2.144 -2.411) 3.941 15.132 ( 1.199 -2.243 1.249) 2.834 15.213 ( 1.014 -5.181 2.541) 5.860 15.453 ( -3.197 5.166 1.794) 6.334 15.558 ( 0.784 6.784 -5.685) 8.886 15.724 ( -4.972 -4.259 2.792) 7.118 15.811 ( 0.042 -2.244 1.576) 2.742 16.012 ( 4.198 0.717 -5.655) 7.079 16.142 ( 2.506 -4.339 -1.874) 5.349 16.769 ( 1.042 15.634 5.078) 16.471 17.168 ( 2.112 0.451 3.010) 3.704 17.493 ( -0.943 4.095 -5.459) 6.888 17.923 ( 6.764 -10.609 -4.208) 13.267 20.692 ( 3.231 4.636 3.816) 6.819 20.841 ( 4.435 3.570 -2.956) 6.415 21.021 ( 3.098 -1.868 3.171) 4.811 21.408 ( 8.073 -16.062 -14.851) 23.318 23.683 ( 0.519 0.905 1.129) 1.537 23.707 ( 1.475 0.023 -0.752) 1.655 23.756 ( 0.459 1.599 0.321) 1.694 23.838 ( -0.625 -2.592 0.806) 2.785 23.937 ( -0.901 2.796 5.581) 6.307 24.060 ( 2.692 -2.676 -0.618) 3.846 24.165 ( 1.923 3.230 2.499) 4.514 24.282 ( 2.765 -2.284 0.679) 3.650 24.554 ( -0.150 4.732 5.054) 6.926 24.746 ( 1.152 -3.865 5.558) 6.867 24.899 ( -0.690 3.748 -4.672) 6.029 25.070 ( -2.805 -3.469 -3.925) 5.941 25.499 ( -0.683 -0.036 -0.287) 0.741 25.585 ( -1.677 -2.459 -0.635) 3.043 25.662 ( 0.518 -0.550 1.988) 2.127 25.707 ( 3.835 -3.453 3.846) 6.436 25.886 ( 4.002 0.808 2.785) 4.942 25.967 ( 3.472 -2.299 -2.019) 4.628 26.408 ( 1.509 0.678 0.047) 1.655 26.475 ( -0.136 -1.714 -1.099) 2.040 26.997 ( 6.168 9.859 1.440) 11.718 27.453 ( 2.203 -11.060 -4.175) 12.025 28.008 ( -15.971 7.096 2.626) 17.673 28.102 ( -10.246 0.999 -1.423) 10.392 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 10.428 12.741 4.947) 17.192 2.143 ( 14.529 4.578 10.993) 18.785 2.432 ( 7.520 -7.213 -4.016) 11.167 2.448 ( 0.938 -1.838 -0.094) 2.065 2.882 ( -8.897 3.974 -2.650) 10.098 3.010 ( -1.670 -1.870 -5.908) 6.418 3.095 ( 7.340 4.834 -1.226) 8.874 3.345 ( 5.549 1.381 5.541) 7.962 3.417 ( -2.774 -2.111 1.232) 3.697 3.466 ( -4.020 3.651 -1.642) 5.673 3.616 ( 10.502 -6.464 0.166) 12.333 3.646 ( 2.695 4.681 -0.525) 5.427 3.741 ( -7.941 0.547 -0.515) 7.977 3.819 ( 4.241 2.224 -5.880) 7.583 3.850 ( -3.051 -5.316 1.198) 6.246 3.965 ( -1.561 -1.379 5.865) 6.224 4.134 ( -2.109 3.720 1.416) 4.505 4.272 ( -1.129 -0.488 2.896) 3.146 4.319 ( 1.729 2.638 -0.486) 3.191 4.375 ( -0.480 -3.245 -0.070) 3.281 4.665 ( -7.469 6.322 1.050) 9.842 4.731 ( -2.802 -3.092 -6.254) 7.518 4.868 ( -8.022 3.845 -7.725) 11.782 4.899 ( -9.068 -4.218 -4.187) 10.842 5.337 ( -2.969 4.516 7.227) 9.024 5.438 ( -3.730 0.797 -0.305) 3.826 5.622 ( 1.403 -4.932 9.042) 10.395 5.689 ( 4.389 -3.302 0.567) 5.521 5.790 ( -1.579 6.509 0.133) 6.699 5.839 ( 0.431 7.519 -3.479) 8.297 6.014 ( -2.836 -0.275 2.313) 3.670 6.102 ( -6.081 -10.171 0.954) 11.889 6.191 ( -5.910 -8.398 -1.430) 10.368 6.359 ( 0.186 -4.046 2.319) 4.667 6.432 ( 5.408 1.365 5.174) 7.607 6.587 ( 1.947 0.349 -3.539) 4.054 6.654 ( 1.259 -1.194 -1.871) 2.552 6.729 ( -1.758 -2.275 4.976) 5.747 6.863 ( 5.447 5.792 5.100) 9.446 6.998 ( 0.771 3.442 -6.134) 7.076 7.056 ( 7.247 -1.671 3.764) 8.335 7.174 ( 2.548 1.362 -2.278) 3.679 7.184 ( -0.658 1.559 -2.126) 2.717 7.345 ( -0.635 2.274 -2.619) 3.526 7.431 ( 2.917 0.711 -1.681) 3.441 7.539 ( 0.286 -5.932 -0.560) 5.965 7.787 ( 0.463 -1.667 1.342) 2.190 7.807 ( 3.319 4.238 0.675) 5.425 7.923 ( 0.505 9.116 3.924) 9.938 8.011 ( -0.243 4.451 3.554) 5.701 8.095 ( 5.561 4.847 -3.225) 8.051 8.206 ( -0.295 0.919 3.400) 3.534 8.487 ( -2.984 6.596 4.346) 8.444 8.661 ( -6.849 6.863 -10.282) 14.132 8.841 ( -1.524 1.546 -4.286) 4.804 8.955 ( -4.644 -8.273 -3.348) 10.061 9.050 ( -1.315 4.065 -0.415) 4.292 9.130 ( 2.858 0.550 -1.789) 3.416 9.307 ( 4.525 -7.648 7.377) 11.550 9.363 ( -2.192 -3.316 -1.131) 4.133 9.581 ( 3.013 -7.454 1.127) 8.119 9.663 ( -7.064 -11.775 -6.561) 15.219 9.865 ( -3.551 -8.701 -1.175) 9.471 10.088 ( -0.803 -7.478 -5.600) 9.377 10.227 ( 2.942 3.537 -0.008) 4.601 10.490 ( -0.282 6.759 6.887) 9.654 10.518 ( 0.846 -0.400 -4.016) 4.124 10.645 ( 0.335 -1.943 -2.541) 3.216 10.737 ( 0.311 2.971 -4.215) 5.166 10.775 ( -4.529 0.053 -1.804) 4.875 10.970 ( 2.573 -10.208 -7.184) 12.745 11.070 ( -2.590 -11.698 4.889) 12.941 11.370 ( 0.625 5.103 4.612) 6.906 11.431 ( 1.567 -0.122 -0.827) 1.776 11.536 ( -3.792 1.560 -0.394) 4.119 11.788 ( 2.444 -3.309 3.705) 5.536 11.957 ( 6.150 4.656 2.665) 8.161 12.207 ( 2.782 -3.067 0.930) 4.244 12.527 ( 0.224 4.453 -1.961) 4.871 12.667 ( -2.109 3.293 0.219) 3.916 12.924 ( -0.456 5.484 0.186) 5.506 12.973 ( 10.417 -4.838 6.528) 13.211 13.222 ( 0.439 10.483 12.675) 16.454 13.499 ( -0.158 -0.065 0.773) 0.791 13.594 ( 4.117 -2.271 6.970) 8.408 13.631 ( 1.257 3.568 -8.277) 9.100 13.949 ( 0.538 -1.601 2.157) 2.739 14.039 ( -0.708 4.820 -4.648) 6.733 14.153 ( -4.518 -0.203 -1.985) 4.939 14.404 ( -4.677 -0.100 -2.246) 5.189 14.714 ( -1.966 -3.319 -1.689) 4.211 14.788 ( 6.380 -5.787 -2.063) 8.857 15.157 ( 0.674 -1.453 1.448) 2.159 15.235 ( 0.241 -4.390 1.222) 4.563 15.418 ( -1.238 1.916 1.082) 2.525 15.514 ( -2.919 3.612 -5.027) 6.844 15.623 ( -5.077 -1.523 1.449) 5.495 15.830 ( 1.253 -4.082 0.703) 4.327 15.993 ( -2.257 5.226 -1.421) 5.867 16.203 ( 3.608 -3.031 -1.447) 4.929 16.837 ( 2.885 12.702 2.831) 13.330 17.236 ( 3.015 -2.857 3.161) 5.220 17.444 ( -1.400 9.577 -4.170) 10.539 17.991 ( 3.178 -10.340 -2.909) 11.202 20.781 ( 2.998 5.023 6.120) 8.466 20.886 ( 2.709 6.456 -6.163) 9.327 21.108 ( 3.374 -6.744 6.610) 10.028 21.408 ( 1.772 -14.673 -13.787) 20.211 23.697 ( 0.439 0.797 0.509) 1.043 23.731 ( 1.019 -0.407 0.257) 1.127 23.770 ( 1.116 0.453 -0.440) 1.282 23.829 ( -1.117 -2.810 1.424) 3.343 23.947 ( -0.545 3.818 2.598) 4.651 24.083 ( 0.602 -2.643 -0.509) 2.758 24.245 ( 4.488 3.260 2.122) 5.939 24.331 ( 1.888 -1.301 0.441) 2.335 24.573 ( -0.991 6.279 4.439) 7.753 24.794 ( 0.785 -2.979 3.701) 4.816 24.872 ( 0.408 1.159 -2.604) 2.879 24.983 ( -3.640 -3.022 -3.976) 6.180 25.490 ( -0.110 0.611 -0.170) 0.643 25.546 ( -1.777 -1.252 -0.909) 2.356 25.666 ( -0.342 0.842 0.300) 0.958 25.782 ( 2.405 -4.461 2.013) 5.453 25.970 ( 2.519 -0.008 3.489) 4.303 26.004 ( 1.910 -2.402 -2.110) 3.725 26.416 ( -0.152 0.727 -0.801) 1.093 26.485 ( 1.164 -2.176 0.039) 2.468 27.131 ( 6.946 8.706 1.646) 11.259 27.490 ( 4.950 -7.268 -5.040) 10.135 27.766 ( -12.574 5.987 4.398) 14.604 27.907 ( -9.387 -1.139 -1.593) 9.589 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.000 7.894 -0.000) 7.894 2.240 ( 0.000 -3.857 0.000) 3.857 2.537 ( 0.000 0.778 0.000) 0.778 2.579 ( 0.000 -7.218 -0.000) 7.218 2.733 ( 0.000 5.449 -0.000) 5.449 2.922 ( 0.000 1.218 0.000) 1.218 3.216 ( 0.000 7.553 0.000) 7.553 3.252 ( 0.000 3.254 0.000) 3.254 3.445 ( 0.000 -3.629 0.000) 3.629 3.483 ( 0.000 3.240 -0.000) 3.240 3.605 ( 0.000 7.842 -0.000) 7.842 3.638 ( 0.000 -4.297 0.000) 4.297 3.775 ( -0.000 -3.086 -0.000) 3.086 3.789 ( 0.000 -5.208 0.000) 5.208 3.883 ( 0.000 -4.219 0.000) 4.219 3.952 ( 0.000 -0.164 0.000) 0.164 4.134 ( 0.000 7.284 0.000) 7.284 4.245 ( 0.000 3.742 -0.000) 3.742 4.372 ( 0.000 -2.324 -0.000) 2.324 4.389 ( -0.000 -2.889 0.000) 2.889 4.649 ( -0.000 2.640 -0.000) 2.640 4.690 ( 0.000 0.447 0.000) 0.447 4.715 ( -0.000 -0.074 -0.000) 0.074 4.787 ( 0.000 -7.581 0.000) 7.581 5.332 ( 0.000 8.594 0.000) 8.594 5.399 ( 0.000 1.780 0.000) 1.780 5.674 ( 0.000 -4.312 -0.000) 4.312 5.722 ( 0.000 -9.293 0.000) 9.293 5.769 ( 0.000 4.642 0.000) 4.642 5.896 ( 0.000 17.109 -0.000) 17.109 5.962 ( -0.000 -3.774 0.000) 3.774 6.067 ( 0.000 -10.736 0.000) 10.736 6.092 ( 0.000 -8.687 0.000) 8.687 6.356 ( 0.000 -1.007 0.000) 1.007 6.557 ( 0.000 0.843 0.000) 0.843 6.573 ( -0.000 4.208 -0.000) 4.208 6.638 ( 0.000 7.140 0.000) 7.140 6.670 ( 0.000 -2.611 0.000) 2.611 6.966 ( 0.000 3.156 -0.000) 3.156 6.980 ( -0.000 4.683 0.000) 4.683 7.147 ( 0.000 -3.246 0.000) 3.246 7.156 ( 0.000 0.111 0.000) 0.111 7.179 ( -0.000 1.115 -0.000) 1.115 7.426 ( 0.000 -11.908 -0.000) 11.908 7.445 ( -0.000 6.114 0.000) 6.114 7.481 ( 0.000 1.394 0.000) 1.394 7.811 ( 0.000 -1.503 0.000) 1.503 7.820 ( 0.000 -7.384 0.000) 7.384 7.941 ( 0.000 10.209 0.000) 10.209 8.019 ( 0.000 8.575 -0.000) 8.575 8.189 ( -0.000 5.400 0.000) 5.400 8.196 ( 0.000 3.653 -0.000) 3.653 8.512 ( -0.000 7.579 -0.000) 7.579 8.520 ( 0.000 9.445 0.000) 9.445 8.781 ( 0.000 9.195 -0.000) 9.195 8.888 ( 0.000 -8.394 0.000) 8.394 9.029 ( 0.000 -0.074 0.000) 0.074 9.168 ( 0.000 -6.799 -0.000) 6.799 9.339 ( 0.000 -2.753 0.000) 2.753 9.414 ( 0.000 -5.248 0.000) 5.248 9.552 ( 0.000 -16.791 0.000) 16.791 9.643 ( 0.000 -6.673 0.000) 6.673 9.814 ( 0.000 -11.035 0.000) 11.035 10.042 ( 0.000 -14.399 -0.000) 14.399 10.258 ( 0.000 5.742 0.000) 5.742 10.491 ( 0.000 11.022 -0.000) 11.022 10.509 ( -0.000 -1.540 0.000) 1.540 10.638 ( 0.000 -1.136 -0.000) 1.136 10.694 ( 0.000 3.309 0.000) 3.309 10.781 ( 0.000 -0.087 0.000) 0.087 10.970 ( 0.000 -9.599 0.000) 9.599 11.057 ( 0.000 -11.474 -0.000) 11.474 11.425 ( -0.000 -0.108 -0.000) 0.108 11.432 ( 0.000 6.887 0.000) 6.887 11.469 ( 0.000 -0.308 0.000) 0.308 11.811 ( 0.000 -4.499 0.000) 4.499 12.041 ( 0.000 3.377 0.000) 3.377 12.233 ( 0.000 -2.971 0.000) 2.971 12.532 ( 0.000 8.396 -0.000) 8.396 12.645 ( -0.000 2.868 0.000) 2.868 12.913 ( 0.000 9.192 0.000) 9.192 13.103 ( 0.000 -6.860 0.000) 6.860 13.281 ( 0.000 14.253 0.000) 14.253 13.519 ( -0.000 -2.212 -0.000) 2.212 13.555 ( 0.000 12.623 0.000) 12.623 13.679 ( 0.000 -5.549 0.000) 5.549 13.992 ( 0.000 2.946 0.000) 2.946 14.008 ( -0.000 -5.100 -0.000) 5.100 14.082 ( 0.000 0.010 -0.000) 0.010 14.352 ( 0.000 0.817 0.000) 0.817 14.689 ( 0.000 -3.937 0.000) 3.937 14.854 ( 0.000 -9.060 0.000) 9.060 15.168 ( 0.000 -1.351 -0.000) 1.351 15.241 ( 0.000 -3.620 0.000) 3.620 15.426 ( 0.000 -2.210 0.000) 2.210 15.435 ( -0.000 2.894 0.000) 2.894 15.587 ( 0.000 2.639 0.000) 2.639 15.850 ( 0.000 -6.404 0.000) 6.404 15.959 ( 0.000 8.885 0.000) 8.885 16.232 ( 0.000 -3.251 -0.000) 3.251 16.875 ( 0.000 11.518 -0.000) 11.518 17.283 ( 0.000 -8.472 -0.000) 8.472 17.411 ( 0.000 16.091 0.000) 16.091 18.010 ( 0.000 -10.058 0.000) 10.058 20.846 ( 0.000 4.285 -0.000) 4.285 20.873 ( 0.000 8.104 0.000) 8.104 21.176 ( 0.000 -8.892 -0.000) 8.892 21.366 ( 0.000 -13.197 0.000) 13.197 23.703 ( 0.000 0.801 0.000) 0.801 23.741 ( 0.000 -0.392 0.000) 0.392 23.783 ( 0.000 -0.478 -0.000) 0.478 23.820 ( 0.000 -2.769 0.000) 2.769 23.949 ( 0.000 4.291 0.000) 4.291 24.086 ( 0.000 -2.267 0.000) 2.267 24.306 ( 0.000 2.123 0.000) 2.123 24.345 ( 0.000 -0.272 0.000) 0.272 24.573 ( 0.000 7.373 0.000) 7.373 24.809 ( 0.000 -1.584 -0.000) 1.584 24.886 ( 0.000 -0.883 0.000) 0.883 24.921 ( -0.000 -3.363 -0.000) 3.363 25.491 ( 0.000 0.848 0.000) 0.848 25.524 ( 0.000 -0.801 0.000) 0.801 25.663 ( 0.000 1.120 -0.000) 1.120 25.810 ( 0.000 -5.027 0.000) 5.027 26.004 ( -0.000 0.074 0.000) 0.074 26.014 ( 0.000 -2.306 -0.000) 2.306 26.411 ( 0.000 1.355 0.000) 1.355 26.497 ( 0.000 -2.450 -0.000) 2.450 27.214 ( 0.000 8.834 0.000) 8.834 27.553 ( 0.000 -6.563 -0.000) 6.563 27.633 ( -0.000 5.860 0.000) 5.860 27.801 ( 0.000 -2.557 0.000) 2.557 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 -28.515 0.000) 28.515 1.788 ( 0.000 28.515 0.000) 28.515 2.281 ( 0.000 -31.797 0.000) 31.797 2.281 ( 0.000 31.797 0.000) 31.797 2.799 ( 0.000 -4.467 0.000) 4.467 2.799 ( 0.000 4.467 0.000) 4.467 2.952 ( 0.000 -0.410 0.000) 0.410 2.952 ( 0.000 0.410 0.000) 0.410 3.192 ( 0.000 -12.896 0.000) 12.896 3.192 ( 0.000 12.896 0.000) 12.896 3.524 ( 0.000 -7.769 0.000) 7.769 3.524 ( 0.000 7.769 0.000) 7.769 3.775 ( 0.000 -3.934 0.000) 3.934 3.775 ( 0.000 3.934 0.000) 3.934 4.115 ( 0.000 -6.735 0.000) 6.735 4.115 ( 0.000 6.735 0.000) 6.735 4.335 ( 0.000 -2.033 0.000) 2.033 4.335 ( 0.000 2.033 0.000) 2.033 4.686 ( 0.000 -2.671 0.000) 2.671 4.686 ( 0.000 2.671 0.000) 2.671 5.031 ( 0.000 -1.042 0.000) 1.042 5.031 ( 0.000 1.042 0.000) 1.042 5.365 ( 0.000 -1.525 0.000) 1.525 5.365 ( 0.000 1.525 0.000) 1.525 5.449 ( 0.000 -2.230 0.000) 2.230 5.449 ( 0.000 2.230 0.000) 2.230 5.739 ( 0.000 -7.407 0.000) 7.407 5.739 ( 0.000 7.407 0.000) 7.407 5.911 ( 0.000 -10.414 0.000) 10.414 5.911 ( 0.000 10.414 0.000) 10.414 5.973 ( 0.000 -8.018 0.000) 8.018 5.973 ( 0.000 8.018 0.000) 8.018 6.192 ( 0.000 -1.278 0.000) 1.278 6.192 ( 0.000 1.278 0.000) 1.278 6.392 ( 0.000 -6.610 0.000) 6.610 6.392 ( 0.000 6.610 0.000) 6.610 6.511 ( 0.000 -2.257 0.000) 2.257 6.511 ( 0.000 2.257 0.000) 2.257 6.767 ( 0.000 -1.742 0.000) 1.742 6.767 ( 0.000 1.742 0.000) 1.742 7.089 ( 0.000 -0.840 0.000) 0.840 7.089 ( 0.000 0.840 0.000) 0.840 7.125 ( 0.000 -3.995 0.000) 3.995 7.125 ( 0.000 3.995 0.000) 3.995 7.521 ( 0.000 -2.976 0.000) 2.976 7.521 ( 0.000 2.976 0.000) 2.976 7.667 ( 0.000 -9.186 0.000) 9.186 7.667 ( 0.000 9.186 0.000) 9.186 8.019 ( 0.000 -2.385 0.000) 2.385 8.019 ( 0.000 2.385 0.000) 2.385 8.205 ( 0.000 -8.377 0.000) 8.377 8.205 ( 0.000 8.377 0.000) 8.377 8.502 ( 0.000 -3.893 0.000) 3.893 8.502 ( 0.000 3.893 0.000) 3.893 8.927 ( 0.000 -3.649 0.000) 3.649 8.927 ( 0.000 3.649 0.000) 3.649 9.181 ( 0.000 -5.888 0.000) 5.888 9.181 ( 0.000 5.888 0.000) 5.888 9.619 ( 0.000 -3.773 0.000) 3.773 9.619 ( 0.000 3.773 0.000) 3.773 9.796 ( 0.000 -6.182 0.000) 6.182 9.796 ( 0.000 6.182 0.000) 6.182 10.144 ( 0.000 -0.936 0.000) 0.936 10.144 ( 0.000 0.936 0.000) 0.936 10.296 ( 0.000 -2.244 0.000) 2.244 10.296 ( 0.000 2.244 0.000) 2.244 10.492 ( 0.000 -1.124 0.000) 1.124 10.492 ( 0.000 1.124 0.000) 1.124 10.516 ( 0.000 -4.223 0.000) 4.223 10.516 ( 0.000 4.223 0.000) 4.223 10.816 ( 0.000 -4.873 0.000) 4.873 10.816 ( 0.000 4.873 0.000) 4.873 11.421 ( 0.000 -3.530 0.000) 3.530 11.421 ( 0.000 3.530 0.000) 3.530 11.643 ( 0.000 -0.568 0.000) 0.568 11.643 ( 0.000 0.568 0.000) 0.568 11.899 ( 0.000 -1.718 0.000) 1.718 11.899 ( 0.000 1.718 0.000) 1.718 12.744 ( 0.000 -2.407 0.000) 2.407 12.744 ( 0.000 2.407 0.000) 2.407 12.857 ( 0.000 -3.154 0.000) 3.154 12.857 ( 0.000 3.154 0.000) 3.154 12.870 ( 0.000 -2.202 0.000) 2.202 12.870 ( 0.000 2.202 0.000) 2.202 13.608 ( 0.000 -0.097 0.000) 0.097 13.608 ( 0.000 0.097 0.000) 0.097 13.978 ( 0.000 -4.510 0.000) 4.510 13.978 ( 0.000 4.510 0.000) 4.510 14.659 ( 0.000 -3.309 0.000) 3.309 14.659 ( 0.000 3.309 0.000) 3.309 14.775 ( 0.000 -4.680 0.000) 4.680 14.775 ( 0.000 4.680 0.000) 4.680 15.099 ( 0.000 -4.552 0.000) 4.552 15.099 ( 0.000 4.552 0.000) 4.552 15.581 ( 0.000 -0.975 0.000) 0.975 15.581 ( 0.000 0.975 0.000) 0.975 15.723 ( 0.000 -4.066 0.000) 4.066 15.723 ( 0.000 4.066 0.000) 4.066 15.995 ( 0.000 -10.397 0.000) 10.397 15.995 ( 0.000 10.397 0.000) 10.397 17.036 ( 0.000 -8.715 0.000) 8.715 17.036 ( 0.000 8.715 0.000) 8.715 17.609 ( 0.000 -1.239 0.000) 1.239 17.609 ( 0.000 1.239 0.000) 1.239 20.721 ( 0.000 -5.833 0.000) 5.833 20.721 ( 0.000 5.833 0.000) 5.833 21.024 ( 0.000 -5.976 0.000) 5.976 21.024 ( 0.000 5.976 0.000) 5.976 23.687 ( 0.000 -0.976 0.000) 0.976 23.687 ( 0.000 0.976 0.000) 0.976 23.795 ( 0.000 -2.404 0.000) 2.404 23.795 ( 0.000 2.404 0.000) 2.404 23.948 ( 0.000 -2.085 0.000) 2.085 23.948 ( 0.000 2.085 0.000) 2.085 24.168 ( 0.000 -1.148 0.000) 1.148 24.168 ( 0.000 1.148 0.000) 1.148 24.599 ( 0.000 -3.868 0.000) 3.868 24.599 ( 0.000 3.868 0.000) 3.868 25.024 ( 0.000 -0.557 0.000) 0.557 25.024 ( 0.000 0.557 0.000) 0.557 25.549 ( 0.000 -2.660 0.000) 2.660 25.549 ( 0.000 2.660 0.000) 2.660 25.577 ( 0.000 -0.408 0.000) 0.408 25.577 ( 0.000 0.408 0.000) 0.408 25.849 ( 0.000 -1.140 0.000) 1.140 25.849 ( 0.000 1.140 0.000) 1.140 26.442 ( 0.000 -3.168 0.000) 3.168 26.442 ( 0.000 3.168 0.000) 3.168 27.148 ( 0.000 -14.530 0.000) 14.530 27.148 ( 0.000 14.530 0.000) 14.530 28.389 ( 0.000 -2.351 0.000) 2.351 28.389 ( 0.000 2.351 0.000) 2.351 ======================= Grid point 29 (17/84) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 5.807 -23.040 2.627) 23.905 1.849 ( 5.807 23.040 2.627) 23.905 2.279 ( 0.464 -30.080 -5.022) 30.500 2.279 ( 0.464 30.080 -5.022) 30.500 2.807 ( 2.758 -3.048 2.669) 4.902 2.807 ( 2.758 3.048 2.669) 4.902 3.019 ( 7.336 -5.412 -1.435) 9.228 3.019 ( 7.336 5.412 -1.435) 9.228 3.297 ( 6.292 -13.245 4.261) 15.270 3.297 ( 6.292 13.245 4.261) 15.270 3.514 ( -1.100 -4.362 2.807) 5.303 3.514 ( -1.100 4.362 2.807) 5.303 3.797 ( 2.817 -2.218 -2.179) 4.196 3.797 ( 2.817 2.218 -2.179) 4.196 4.064 ( -4.477 -5.863 -1.089) 7.457 4.064 ( -4.477 5.863 -1.089) 7.457 4.280 ( -5.044 -1.474 0.628) 5.292 4.280 ( -5.044 1.474 0.628) 5.292 4.610 ( -8.197 -3.170 -0.213) 8.791 4.610 ( -8.197 3.170 -0.213) 8.791 4.993 ( -2.009 -4.518 -7.738) 9.182 4.993 ( -2.009 4.518 -7.738) 9.182 5.355 ( -7.958 -5.484 2.769) 10.053 5.355 ( -7.958 5.484 2.769) 10.053 5.407 ( 1.378 -5.994 2.351) 6.584 5.407 ( 1.378 5.994 2.351) 6.584 5.633 ( -11.480 -5.096 -4.813) 13.451 5.633 ( -11.480 5.096 -4.813) 13.451 5.865 ( 4.025 -6.743 7.383) 10.778 5.865 ( 4.025 6.743 7.383) 10.778 6.098 ( 2.600 -7.669 1.346) 8.209 6.098 ( 2.600 7.669 1.346) 8.209 6.230 ( 2.560 -5.922 1.129) 6.550 6.230 ( 2.560 5.922 1.129) 6.550 6.401 ( -1.738 -2.097 -1.217) 2.983 6.401 ( -1.738 2.097 -1.217) 2.983 6.504 ( 2.507 -2.953 2.037) 4.377 6.504 ( 2.507 2.953 2.037) 4.377 6.759 ( 0.567 -7.148 0.554) 7.192 6.759 ( 0.567 7.148 0.554) 7.192 7.083 ( -3.249 -2.774 7.252) 8.417 7.083 ( -3.249 2.774 7.252) 8.417 7.152 ( 4.221 -4.454 -3.654) 7.142 7.152 ( 4.221 4.454 -3.654) 7.142 7.523 ( 1.826 -2.053 -4.044) 4.889 7.523 ( 1.826 2.053 -4.044) 4.889 7.741 ( 5.574 -8.927 4.487) 11.441 7.741 ( 5.574 8.927 4.487) 11.441 8.027 ( 1.248 -3.648 -2.964) 4.863 8.027 ( 1.248 3.648 -2.964) 4.863 8.151 ( -5.179 -4.939 2.682) 7.642 8.151 ( -5.179 4.939 2.682) 7.642 8.537 ( 4.010 -4.909 -5.103) 8.138 8.537 ( 4.010 4.909 -5.103) 8.138 8.913 ( -1.368 -5.817 2.456) 6.460 8.913 ( -1.368 5.817 2.456) 6.460 9.224 ( 3.256 -7.060 1.195) 7.866 9.224 ( 3.256 7.060 1.195) 7.866 9.504 ( -7.473 -8.397 -9.666) 14.825 9.504 ( -7.473 8.397 -9.666) 14.825 9.759 ( -2.064 -5.393 -10.350) 11.852 9.759 ( -2.064 5.393 -10.350) 11.852 10.029 ( -5.608 -0.920 -2.372) 6.158 10.029 ( -5.608 0.920 -2.372) 6.158 10.339 ( 0.200 -12.256 0.495) 12.268 10.339 ( 0.200 12.256 0.495) 12.268 10.501 ( 3.612 -6.080 4.026) 8.137 10.501 ( 3.612 6.080 4.026) 8.137 10.646 ( 6.912 -2.615 1.081) 7.469 10.646 ( 6.912 2.615 1.081) 7.469 10.930 ( 9.002 -6.665 2.529) 11.483 10.930 ( 9.002 6.665 2.529) 11.483 11.397 ( -2.182 -2.073 3.267) 4.442 11.397 ( -2.182 2.073 3.267) 4.442 11.576 ( -5.407 -4.160 1.453) 6.975 11.576 ( -5.407 4.160 1.453) 6.975 11.934 ( 3.183 -8.126 -0.326) 8.734 11.934 ( 3.183 8.126 -0.326) 8.734 12.676 ( -3.165 -2.043 -4.067) 5.544 12.676 ( -3.165 2.043 -4.067) 5.544 12.830 ( -1.845 -3.715 4.433) 6.072 12.830 ( -1.845 3.715 4.433) 6.072 13.022 ( 7.537 -6.152 11.466) 15.038 13.022 ( 7.537 6.152 11.466) 15.038 13.621 ( 2.005 -3.234 -2.811) 4.731 13.621 ( 2.005 3.234 -2.811) 4.731 13.986 ( 0.900 -4.482 -0.093) 4.572 13.986 ( 0.900 4.482 -0.093) 4.572 14.580 ( -6.543 -4.424 -2.834) 8.392 14.580 ( -6.543 4.424 -2.834) 8.392 14.762 ( -0.695 -3.500 -3.095) 4.723 14.762 ( -0.695 3.500 -3.095) 4.723 15.106 ( 0.360 -3.090 2.127) 3.768 15.106 ( 0.360 3.090 2.127) 3.768 15.608 ( 1.176 -5.199 -0.112) 5.332 15.608 ( 1.176 5.199 -0.112) 5.332 15.735 ( 0.709 -5.341 -0.562) 5.417 15.735 ( 0.709 5.341 -0.562) 5.417 15.997 ( 2.449 -7.514 -3.330) 8.576 15.997 ( 2.449 7.514 -3.330) 8.576 17.034 ( -1.072 -9.589 3.071) 10.126 17.034 ( -1.072 9.589 3.071) 10.126 17.634 ( 3.295 -6.844 -2.464) 7.986 17.634 ( 3.295 6.844 -2.464) 7.986 20.735 ( 1.548 -5.231 1.236) 5.594 20.735 ( 1.548 5.231 1.236) 5.594 21.071 ( 5.209 -8.411 -3.598) 10.527 21.071 ( 5.209 8.411 -3.598) 10.527 23.690 ( 0.303 -0.750 0.222) 0.839 23.690 ( 0.303 0.750 0.222) 0.839 23.794 ( -0.267 -2.289 0.408) 2.340 23.794 ( -0.267 2.289 0.408) 2.340 23.965 ( 1.362 -2.432 1.018) 2.967 23.965 ( 1.362 2.432 1.018) 2.967 24.182 ( 1.335 -2.227 1.096) 2.818 24.182 ( 1.335 2.227 1.096) 2.818 24.614 ( 0.346 -4.245 4.088) 5.904 24.614 ( 0.346 4.245 4.088) 5.904 25.021 ( 0.104 -3.764 -2.813) 4.700 25.021 ( 0.104 3.764 -2.813) 4.700 25.535 ( -0.767 -2.361 0.398) 2.515 25.535 ( -0.767 2.361 0.398) 2.515 25.610 ( 1.912 -0.531 2.844) 3.468 25.610 ( 1.912 0.531 2.844) 3.468 25.870 ( 2.510 -2.119 -1.265) 3.520 25.870 ( 2.510 2.119 -1.265) 3.520 26.440 ( -0.005 -2.778 -0.623) 2.847 26.440 ( -0.005 2.778 -0.623) 2.847 27.164 ( 2.131 -13.696 -0.899) 13.890 27.164 ( 2.131 13.696 -0.899) 13.890 28.303 ( -8.966 -0.699 -0.241) 8.996 28.303 ( -8.966 0.699 -0.241) 8.996 ======================= Grid point 31 (18/84) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 8.843 -11.255 5.300) 15.263 2.013 ( 8.843 11.255 5.300) 15.263 2.253 ( 1.778 -19.328 -6.174) 20.368 2.253 ( 1.778 19.328 -6.174) 20.368 2.931 ( 7.216 -1.955 0.017) 7.477 2.931 ( 7.216 1.955 0.017) 7.477 3.166 ( 6.849 -4.339 2.864) 8.599 3.166 ( 6.849 4.339 2.864) 8.599 3.345 ( 0.558 -12.031 -0.636) 12.060 3.345 ( 0.558 12.031 -0.636) 12.060 3.587 ( 6.193 -2.713 2.660) 7.266 3.587 ( 6.193 2.713 2.660) 7.266 3.807 ( -1.927 -3.975 -2.771) 5.214 3.807 ( -1.927 3.975 -2.771) 5.214 3.979 ( -4.450 -4.104 1.889) 6.342 3.979 ( -4.450 4.104 1.889) 6.342 4.220 ( -1.411 -0.979 1.914) 2.571 4.220 ( -1.411 0.979 1.914) 2.571 4.422 ( -10.266 -1.640 -0.632) 10.416 4.422 ( -10.266 1.640 -0.632) 10.416 4.873 ( -5.193 -4.291 -9.399) 11.564 4.873 ( -5.193 4.291 -9.399) 11.564 5.158 ( -12.457 -3.209 -6.117) 14.244 5.158 ( -12.457 3.209 -6.117) 14.244 5.412 ( -3.504 -7.378 6.046) 10.162 5.412 ( -3.504 7.378 6.046) 10.162 5.531 ( 0.507 -1.445 4.736) 4.977 5.531 ( 0.507 1.445 4.736) 4.977 5.947 ( -1.480 -8.259 8.974) 12.285 5.947 ( -1.480 8.259 8.974) 12.285 6.102 ( -1.771 -9.745 -1.563) 10.027 6.102 ( -1.771 9.745 -1.563) 10.027 6.197 ( -4.352 -7.501 -2.498) 9.025 6.197 ( -4.352 7.501 -2.498) 9.025 6.426 ( 5.242 -8.201 4.239) 10.616 6.426 ( 5.242 8.201 4.239) 10.616 6.590 ( 3.216 -3.342 1.798) 4.974 6.590 ( 3.216 3.342 1.798) 4.974 6.823 ( 5.892 -7.466 2.581) 9.855 6.823 ( 5.892 7.466 2.581) 9.855 7.093 ( 0.653 -1.652 2.939) 3.434 7.093 ( 0.653 1.652 2.939) 3.434 7.217 ( 5.108 -9.119 -1.430) 10.549 7.217 ( 5.108 9.119 -1.430) 10.549 7.517 ( -0.043 -3.505 -6.615) 7.486 7.517 ( -0.043 3.505 -6.615) 7.486 7.857 ( 1.902 -5.291 1.511) 5.822 7.857 ( 1.902 5.291 1.511) 5.822 8.006 ( -0.974 -3.716 2.406) 4.532 8.006 ( -0.974 3.716 2.406) 4.532 8.124 ( 1.933 -3.741 0.229) 4.217 8.124 ( 1.933 3.741 0.229) 4.217 8.581 ( 3.475 -3.306 -0.628) 4.838 8.581 ( 3.475 3.306 -0.628) 4.838 8.891 ( -2.658 -5.474 -1.020) 6.170 8.891 ( -2.658 5.474 -1.020) 6.170 9.271 ( -1.492 -4.794 0.651) 5.062 9.271 ( -1.492 4.794 0.651) 5.062 9.316 ( -4.513 -2.813 -6.930) 8.735 9.316 ( -4.513 2.813 -6.930) 8.735 9.614 ( -6.043 -9.683 -9.498) 14.849 9.614 ( -6.043 9.683 -9.498) 14.849 9.946 ( -1.451 -6.715 -9.024) 11.342 9.946 ( -1.451 6.715 -9.024) 11.342 10.352 ( 0.491 -11.034 4.468) 11.914 10.352 ( 0.491 11.034 4.468) 11.914 10.600 ( 4.665 -6.222 1.085) 7.852 10.600 ( 4.665 6.222 1.085) 7.852 10.740 ( 4.006 -5.192 -1.851) 6.814 10.740 ( 4.006 5.192 -1.851) 6.814 10.962 ( -5.435 -0.944 -3.185) 6.370 10.962 ( -5.435 0.944 -3.185) 6.370 11.439 ( 0.099 -3.211 2.397) 4.009 11.439 ( 0.099 3.211 2.397) 4.009 11.560 ( 3.913 -4.177 7.933) 9.782 11.560 ( 3.913 4.177 7.933) 9.782 12.003 ( 4.392 -8.238 0.025) 9.335 12.003 ( 4.392 8.238 0.025) 9.335 12.628 ( 0.695 -5.349 -2.371) 5.892 12.628 ( 0.695 5.349 -2.371) 5.892 12.846 ( -0.261 -6.453 8.425) 10.615 12.846 ( -0.261 6.453 8.425) 10.615 13.230 ( 6.675 -7.160 14.849) 17.785 13.230 ( 6.675 7.160 14.849) 17.785 13.635 ( 1.733 -5.343 -4.680) 7.311 13.635 ( 1.733 5.343 -4.680) 7.311 14.003 ( 0.299 -4.985 0.620) 5.032 14.003 ( 0.299 4.985 0.620) 5.032 14.435 ( -5.556 -7.792 -7.123) 11.930 14.435 ( -5.556 7.792 -7.123) 11.930 14.721 ( -1.221 -1.968 -4.026) 4.645 14.721 ( -1.221 1.968 -4.026) 4.645 15.135 ( 1.148 -2.197 2.468) 3.498 15.135 ( 1.148 2.197 2.468) 3.498 15.578 ( -4.650 -6.946 0.623) 8.382 15.578 ( -4.650 6.946 0.623) 8.382 15.725 ( -0.280 -6.609 -2.415) 7.042 15.725 ( -0.280 6.609 -2.415) 7.042 16.057 ( 5.035 -3.589 -3.036) 6.888 16.057 ( 5.035 3.589 -3.036) 6.888 17.042 ( -0.119 -10.578 4.288) 11.415 17.042 ( -0.119 10.578 4.288) 11.415 17.686 ( 4.074 -11.992 -3.684) 13.190 17.686 ( 4.074 11.992 -3.684) 13.190 20.799 ( 3.841 -5.337 3.541) 7.468 20.799 ( 3.841 5.337 3.541) 7.468 21.133 ( 4.345 -10.839 -7.003) 13.616 21.133 ( 4.345 10.839 -7.003) 13.616 23.701 ( 0.696 -0.680 0.503) 1.095 23.701 ( 0.696 0.680 0.503) 1.095 23.791 ( -0.385 -1.943 0.498) 2.042 23.791 ( -0.385 1.943 0.498) 2.042 23.998 ( 1.344 -3.117 1.097) 3.567 23.998 ( 1.344 3.117 1.097) 3.567 24.230 ( 3.050 -2.903 1.443) 4.452 24.230 ( 3.050 2.903 1.443) 4.452 24.655 ( 0.648 -4.932 6.327) 8.048 24.655 ( 0.648 4.932 6.327) 8.048 24.984 ( -1.918 -4.460 -4.403) 6.554 24.984 ( -1.918 4.460 -4.403) 6.554 25.526 ( -0.535 -2.528 -0.008) 2.584 25.526 ( -0.535 2.528 -0.008) 2.584 25.666 ( 1.954 -0.951 3.181) 3.852 25.666 ( 1.954 0.951 3.181) 3.852 25.919 ( 3.477 -2.188 -0.831) 4.191 25.919 ( 3.477 2.188 -0.831) 4.191 26.438 ( 0.391 -1.823 -0.861) 2.053 26.438 ( 0.391 1.823 -0.861) 2.053 27.219 ( 4.737 -11.517 -1.336) 12.524 27.219 ( 4.737 11.517 -1.336) 12.524 28.094 ( -13.089 -1.971 0.023) 13.236 28.094 ( -13.089 1.971 0.023) 13.236 ======================= Grid point 33 (19/84) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.681 -9.311 1.314) 9.778 2.149 ( 2.681 9.311 1.314) 9.778 2.345 ( 9.884 -4.014 1.762) 10.813 2.345 ( 9.884 4.014 1.762) 10.813 2.961 ( -2.663 -2.968 -4.737) 6.191 2.961 ( -2.663 2.968 -4.737) 6.191 3.258 ( 5.532 -9.258 -1.501) 10.889 3.258 ( 5.532 9.258 -1.501) 10.889 3.448 ( 6.258 -7.048 3.174) 9.945 3.448 ( 6.258 7.048 3.174) 9.945 3.612 ( -5.687 -7.921 1.741) 9.905 3.612 ( -5.687 7.921 1.741) 9.905 3.772 ( -0.752 -3.324 -0.379) 3.429 3.772 ( -0.752 3.324 -0.379) 3.429 3.912 ( -1.509 -4.559 -0.839) 4.875 3.912 ( -1.509 4.559 -0.839) 4.875 4.226 ( 0.247 -4.883 3.489) 6.007 4.226 ( 0.247 4.883 3.489) 6.007 4.321 ( -0.521 -0.769 -0.585) 1.097 4.321 ( -0.521 0.769 -0.585) 1.097 4.736 ( -4.464 -0.989 -5.034) 6.801 4.736 ( -4.464 0.989 -5.034) 6.801 4.887 ( -11.856 -1.436 -6.570) 13.630 4.887 ( -11.856 1.436 -6.570) 13.630 5.412 ( -0.857 -3.033 5.961) 6.743 5.412 ( -0.857 3.033 5.961) 6.743 5.589 ( 2.024 -3.249 4.430) 5.855 5.589 ( 2.024 3.249 4.430) 5.855 5.928 ( -3.441 -6.423 3.766) 8.203 5.928 ( -3.441 6.423 3.766) 8.203 5.989 ( -6.102 -9.352 -4.444) 12.018 5.989 ( -6.102 9.352 -4.444) 12.018 6.188 ( 1.596 -10.653 2.327) 11.020 6.188 ( 1.596 10.653 2.327) 11.020 6.559 ( 4.010 -7.353 5.272) 9.897 6.559 ( 4.010 7.353 5.272) 9.897 6.638 ( 3.506 -3.845 2.133) 5.624 6.638 ( 3.506 3.845 2.133) 5.624 6.979 ( 6.111 -3.437 6.722) 9.713 6.979 ( 6.111 3.437 6.722) 9.713 7.120 ( 3.829 -6.182 -6.840) 9.983 7.120 ( 3.829 6.182 -6.840) 9.983 7.253 ( -2.834 -6.037 -4.754) 8.190 7.253 ( -2.834 6.037 -4.754) 8.190 7.484 ( 1.896 -1.855 -1.394) 2.996 7.484 ( 1.896 1.855 -1.394) 2.996 7.799 ( -5.081 -2.912 0.216) 5.860 7.799 ( -5.081 2.912 0.216) 5.860 8.058 ( 2.290 -2.200 2.358) 3.955 8.058 ( 2.290 2.200 2.358) 3.955 8.197 ( 4.616 -2.830 0.961) 5.499 8.197 ( 4.616 2.830 0.961) 5.499 8.656 ( 2.947 -9.370 1.222) 9.898 8.656 ( 2.947 9.370 1.222) 9.898 8.801 ( -4.470 -3.464 -2.624) 6.235 8.801 ( -4.470 3.464 -2.624) 6.235 9.156 ( -3.375 -4.194 -5.732) 7.864 9.156 ( -3.375 4.194 -5.732) 7.864 9.314 ( -0.344 -8.031 4.490) 9.207 9.314 ( -0.344 8.031 4.490) 9.207 9.484 ( -3.463 -4.428 -3.752) 6.759 9.484 ( -3.463 4.428 -3.752) 6.759 9.846 ( -2.950 -8.459 -11.289) 14.412 9.846 ( -2.950 8.459 -11.289) 14.412 10.393 ( 0.700 -8.692 3.426) 9.369 10.393 ( 0.700 8.692 3.426) 9.369 10.669 ( 2.375 -3.812 0.429) 4.512 10.669 ( 2.375 3.812 0.429) 4.512 10.773 ( 0.625 -5.068 -1.966) 5.472 10.773 ( 0.625 5.068 -1.966) 5.472 10.842 ( -3.518 -7.562 -1.522) 8.478 10.842 ( -3.518 7.562 -1.522) 8.478 11.429 ( -0.710 -1.196 2.025) 2.457 11.429 ( -0.710 1.196 2.025) 2.457 11.660 ( 1.406 -8.484 1.163) 8.678 11.660 ( 1.406 8.484 1.163) 8.678 12.082 ( 3.650 -7.244 1.050) 8.180 12.082 ( 3.650 7.244 1.050) 8.180 12.661 ( 2.528 -6.068 -1.200) 6.683 12.661 ( 2.528 6.068 -1.200) 6.683 12.922 ( 2.733 -2.023 9.152) 9.763 12.922 ( 2.733 2.023 9.152) 9.763 13.419 ( 5.120 -8.347 12.191) 15.636 13.419 ( 5.120 8.347 12.191) 15.636 13.636 ( 1.532 -7.087 -3.504) 8.053 13.636 ( 1.532 7.087 -3.504) 8.053 13.975 ( -4.039 -5.686 -0.278) 6.980 13.975 ( -4.039 5.686 -0.278) 6.980 14.325 ( -1.428 -9.049 -7.697) 11.965 14.325 ( -1.428 9.049 -7.697) 11.965 14.685 ( -0.245 -1.989 -3.124) 3.712 14.685 ( -0.245 1.989 -3.124) 3.712 15.164 ( 0.543 -2.051 1.782) 2.771 15.164 ( 0.543 2.051 1.782) 2.771 15.484 ( -4.785 -4.127 0.154) 6.321 15.484 ( -4.785 4.127 0.154) 6.321 15.709 ( -0.115 -7.015 -1.722) 7.224 15.709 ( -0.115 7.015 -1.722) 7.224 16.111 ( 2.185 -5.599 -1.353) 6.161 16.111 ( 2.185 5.599 -1.353) 6.161 17.075 ( 1.025 -10.285 2.923) 10.741 17.075 ( 1.025 10.285 2.923) 10.741 17.729 ( 2.526 -14.698 -2.708) 15.158 17.729 ( 2.526 14.698 -2.708) 15.158 20.898 ( 3.791 -5.873 5.010) 8.600 20.898 ( 3.791 5.873 5.010) 8.600 21.140 ( 1.271 -10.613 -7.471) 13.041 21.140 ( 1.271 10.613 -7.471) 13.041 23.717 ( 0.637 -0.969 0.409) 1.229 23.717 ( 0.637 0.969 0.409) 1.229 23.786 ( -0.311 -1.318 0.312) 1.389 23.786 ( -0.311 1.318 0.312) 1.389 24.021 ( 0.626 -3.386 0.612) 3.498 24.021 ( 0.626 3.386 0.612) 3.498 24.298 ( 3.226 -2.009 0.923) 3.911 24.298 ( 3.226 2.009 0.923) 3.911 24.702 ( 0.443 -5.810 5.895) 8.289 24.702 ( 0.443 5.810 5.895) 8.289 24.916 ( -2.271 -3.027 -4.229) 5.675 24.916 ( -2.271 3.027 -4.229) 5.675 25.515 ( -0.553 -1.627 -0.276) 1.741 25.515 ( -0.553 1.627 -0.276) 1.741 25.703 ( 0.676 -2.903 1.099) 3.177 25.703 ( 0.676 2.903 1.099) 3.177 25.976 ( 2.551 -0.667 0.355) 2.661 25.976 ( 2.551 0.667 0.355) 2.661 26.444 ( 0.560 -1.799 -0.596) 1.976 26.444 ( 0.560 1.799 -0.596) 1.976 27.317 ( 6.563 -9.153 -1.138) 11.320 27.317 ( 6.563 9.153 -1.138) 11.320 27.863 ( -11.702 -3.343 0.381) 12.176 27.863 ( -11.702 3.343 0.381) 12.176 ======================= Grid point 35 (20/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 -4.851 0.000) 4.851 2.170 ( 0.000 4.851 0.000) 4.851 2.482 ( 0.000 -0.304 0.000) 0.304 2.482 ( 0.000 0.304 0.000) 0.304 2.888 ( 0.000 -5.074 -0.000) 5.074 2.888 ( 0.000 5.074 0.000) 5.074 3.340 ( 0.000 -3.919 0.000) 3.919 3.340 ( -0.000 3.919 0.000) 3.919 3.461 ( 0.000 -11.519 -0.000) 11.519 3.461 ( 0.000 11.519 -0.000) 11.519 3.590 ( 0.000 -7.736 -0.000) 7.736 3.590 ( 0.000 7.736 0.000) 7.736 3.720 ( 0.000 -3.053 0.000) 3.053 3.720 ( 0.000 3.053 -0.000) 3.053 3.928 ( 0.000 -3.005 0.000) 3.005 3.928 ( 0.000 3.005 0.000) 3.005 4.258 ( 0.000 -4.292 0.000) 4.292 4.258 ( 0.000 4.292 0.000) 4.292 4.325 ( -0.000 -1.200 0.000) 1.200 4.325 ( 0.000 1.200 -0.000) 1.200 4.677 ( 0.000 -1.513 -0.000) 1.513 4.677 ( 0.000 1.513 -0.000) 1.513 4.736 ( 0.000 -0.541 0.000) 0.541 4.736 ( 0.000 0.541 0.000) 0.541 5.424 ( 0.000 -0.638 0.000) 0.638 5.424 ( 0.000 0.638 -0.000) 0.638 5.630 ( 0.000 -1.322 -0.000) 1.322 5.630 ( 0.000 1.322 0.000) 1.322 5.886 ( 0.000 -6.440 0.000) 6.440 5.886 ( 0.000 6.440 -0.000) 6.440 5.925 ( 0.000 -2.392 -0.000) 2.392 5.925 ( 0.000 2.392 0.000) 2.392 6.213 ( 0.000 -10.478 0.000) 10.478 6.213 ( 0.000 10.478 0.000) 10.478 6.593 ( 0.000 -2.653 0.000) 2.653 6.593 ( 0.000 2.653 0.000) 2.653 6.732 ( 0.000 -2.823 0.000) 2.823 6.732 ( 0.000 2.823 -0.000) 2.823 7.056 ( -0.000 -3.167 -0.000) 3.167 7.056 ( 0.000 3.167 -0.000) 3.167 7.124 ( 0.000 -13.551 0.000) 13.551 7.124 ( 0.000 13.551 0.000) 13.551 7.176 ( 0.000 -1.147 -0.000) 1.147 7.176 ( 0.000 1.147 -0.000) 1.147 7.523 ( 0.000 -0.217 0.000) 0.217 7.523 ( 0.000 0.217 0.000) 0.217 7.744 ( -0.000 -1.220 0.000) 1.220 7.744 ( 0.000 1.220 0.000) 1.220 8.089 ( 0.000 -2.545 0.000) 2.545 8.089 ( 0.000 2.545 0.000) 2.545 8.251 ( 0.000 -0.672 -0.000) 0.672 8.251 ( 0.000 0.672 0.000) 0.672 8.651 ( 0.000 -3.625 0.000) 3.625 8.651 ( 0.000 3.625 0.000) 3.625 8.776 ( 0.000 -4.605 0.000) 4.605 8.776 ( -0.000 4.605 0.000) 4.605 9.109 ( 0.000 -5.725 0.000) 5.725 9.109 ( 0.000 5.725 0.000) 5.725 9.331 ( 0.000 -1.822 0.000) 1.822 9.331 ( 0.000 1.822 0.000) 1.822 9.446 ( 0.000 -10.571 0.000) 10.571 9.446 ( 0.000 10.571 -0.000) 10.571 9.767 ( 0.000 -8.414 -0.000) 8.414 9.767 ( 0.000 8.414 -0.000) 8.414 10.406 ( 0.000 -7.369 0.000) 7.369 10.406 ( 0.000 7.369 0.000) 7.369 10.692 ( 0.000 -0.903 -0.000) 0.903 10.692 ( 0.000 0.903 0.000) 0.903 10.761 ( 0.000 -4.043 0.000) 4.043 10.761 ( 0.000 4.043 0.000) 4.043 10.821 ( 0.000 -3.923 -0.000) 3.923 10.821 ( 0.000 3.923 0.000) 3.923 11.434 ( 0.000 -0.680 0.000) 0.680 11.434 ( 0.000 0.680 -0.000) 0.680 11.660 ( 0.000 -10.350 0.000) 10.350 11.660 ( 0.000 10.350 0.000) 10.350 12.123 ( 0.000 -5.541 0.000) 5.541 12.123 ( 0.000 5.541 0.000) 5.541 12.679 ( 0.000 -3.217 -0.000) 3.217 12.679 ( 0.000 3.217 0.000) 3.217 12.988 ( 0.000 -2.983 0.000) 2.983 12.988 ( 0.000 2.983 0.000) 2.983 13.507 ( 0.000 -9.352 0.000) 9.352 13.507 ( 0.000 9.352 0.000) 9.352 13.658 ( 0.000 -7.090 0.000) 7.090 13.658 ( 0.000 7.090 0.000) 7.090 13.906 ( 0.000 -1.327 0.000) 1.327 13.906 ( 0.000 1.327 0.000) 1.327 14.293 ( 0.000 -8.807 -0.000) 8.807 14.293 ( 0.000 8.807 0.000) 8.807 14.675 ( 0.000 -4.813 0.000) 4.813 14.675 ( 0.000 4.813 0.000) 4.813 15.174 ( 0.000 -1.996 0.000) 1.996 15.174 ( 0.000 1.996 0.000) 1.996 15.437 ( 0.000 -1.622 0.000) 1.622 15.437 ( 0.000 1.622 0.000) 1.622 15.703 ( 0.000 -7.427 0.000) 7.427 15.703 ( 0.000 7.427 0.000) 7.427 16.126 ( 0.000 -6.975 0.000) 6.975 16.126 ( 0.000 6.975 -0.000) 6.975 17.095 ( 0.000 -9.951 -0.000) 9.951 17.095 ( 0.000 9.951 0.000) 9.951 17.744 ( 0.000 -15.503 0.000) 15.503 17.744 ( 0.000 15.503 0.000) 15.503 20.958 ( 0.000 -5.140 -0.000) 5.140 20.958 ( 0.000 5.140 -0.000) 5.140 21.120 ( 0.000 -9.092 0.000) 9.092 21.120 ( 0.000 9.092 0.000) 9.092 23.725 ( 0.000 -1.177 -0.000) 1.177 23.725 ( -0.000 1.177 0.000) 1.177 23.784 ( 0.000 -0.726 0.000) 0.726 23.784 ( 0.000 0.726 0.000) 0.726 24.028 ( 0.000 -3.401 0.000) 3.401 24.028 ( 0.000 3.401 0.000) 3.401 24.334 ( 0.000 -0.857 -0.000) 0.857 24.334 ( 0.000 0.857 0.000) 0.857 24.725 ( 0.000 -6.642 0.000) 6.642 24.725 ( -0.000 6.642 0.000) 6.642 24.878 ( 0.000 -0.452 0.000) 0.452 24.878 ( 0.000 0.452 0.000) 0.452 25.508 ( 0.000 -0.821 0.000) 0.821 25.508 ( 0.000 0.821 0.000) 0.821 25.710 ( 0.000 -3.808 -0.000) 3.808 25.710 ( 0.000 3.808 0.000) 3.808 26.002 ( 0.000 -0.192 0.000) 0.192 26.002 ( 0.000 0.192 0.000) 0.192 26.448 ( 0.000 -2.237 0.000) 2.237 26.448 ( 0.000 2.237 -0.000) 2.237 27.395 ( 0.000 -8.583 0.000) 8.583 27.395 ( 0.000 8.583 0.000) 8.583 27.735 ( 0.000 -4.054 0.000) 4.054 27.735 ( 0.000 4.054 0.000) 4.054 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 8.720 0.000 33.656) 34.767 0.830 ( 5.385 0.000 37.354) 37.740 1.571 ( 7.764 0.000 68.396) 68.835 2.532 ( 4.549 0.000 -6.021) 7.547 2.806 ( -10.691 0.000 -2.277) 10.931 2.812 ( -4.877 0.000 -12.471) 13.391 3.003 ( -1.464 0.000 3.308) 3.618 3.052 ( -5.749 0.000 2.990) 6.480 3.149 ( 1.888 0.000 -4.437) 4.821 3.317 ( 2.945 0.000 -5.961) 6.649 3.505 ( 0.669 0.000 -0.718) 0.981 3.684 ( -2.663 0.000 -3.622) 4.496 3.716 ( 0.224 0.000 -8.524) 8.527 4.017 ( 1.177 0.000 4.197) 4.359 4.246 ( 2.708 0.000 1.379) 3.039 4.369 ( -0.915 0.000 3.654) 3.767 4.449 ( -0.214 0.000 -0.909) 0.934 4.683 ( 0.639 0.000 -0.897) 1.102 4.736 ( -6.288 0.000 4.729) 7.868 4.795 ( -7.102 0.000 -1.077) 7.184 4.853 ( -11.023 0.000 -13.888) 17.731 4.988 ( 11.888 0.000 7.446) 14.027 5.102 ( -11.073 0.000 11.213) 15.759 5.330 ( 9.044 0.000 2.485) 9.379 5.352 ( -0.684 0.000 -0.423) 0.805 5.466 ( -0.830 0.000 3.211) 3.317 5.478 ( 6.900 0.000 2.911) 7.489 5.509 ( -2.862 0.000 -0.537) 2.912 5.628 ( -0.413 0.000 6.884) 6.896 5.825 ( -8.309 0.000 -7.414) 11.136 5.898 ( 4.867 0.000 -0.383) 4.882 6.099 ( 7.631 0.000 1.604) 7.798 6.244 ( 3.152 0.000 -5.216) 6.094 6.297 ( -4.323 0.000 -5.297) 6.837 6.304 ( -1.443 0.000 -10.307) 10.408 6.562 ( 3.710 0.000 -15.393) 15.833 6.613 ( 5.532 0.000 -2.172) 5.943 6.670 ( -3.835 0.000 0.524) 3.871 6.808 ( -0.356 0.000 -2.347) 2.373 6.927 ( -0.946 0.000 -5.745) 5.823 7.059 ( 0.795 0.000 -3.645) 3.731 7.063 ( 1.042 0.000 0.482) 1.148 7.115 ( 0.890 0.000 1.430) 1.684 7.229 ( -8.242 0.000 12.042) 14.592 7.511 ( -11.381 0.000 -9.212) 14.642 7.512 ( 2.138 0.000 2.231) 3.090 7.814 ( 6.197 0.000 -0.348) 6.207 7.934 ( 2.465 0.000 5.412) 5.947 8.035 ( -2.426 0.000 1.800) 3.021 8.038 ( -6.828 0.000 2.498) 7.270 8.136 ( -9.233 0.000 -0.552) 9.249 8.222 ( -3.052 0.000 5.974) 6.708 8.604 ( 4.029 0.000 2.601) 4.796 8.604 ( 7.491 0.000 7.150) 10.356 8.810 ( -4.939 0.000 -10.912) 11.978 8.815 ( -2.083 0.000 -0.744) 2.212 9.016 ( 10.440 0.000 -5.566) 11.832 9.125 ( -3.401 0.000 3.370) 4.788 9.194 ( 4.696 0.000 2.735) 5.434 9.366 ( -20.083 0.000 5.471) 20.815 9.759 ( 6.287 0.000 17.320) 18.425 9.799 ( 24.403 0.000 -6.549) 25.266 9.877 ( -3.240 0.000 4.780) 5.775 10.106 ( -3.261 0.000 -9.945) 10.466 10.147 ( -1.161 0.000 2.696) 2.935 10.387 ( 9.254 0.000 11.024) 14.393 10.490 ( -7.163 0.000 -3.993) 8.201 10.671 ( -3.153 0.000 -3.567) 4.761 10.808 ( 11.642 0.000 -3.821) 12.253 11.024 ( 5.480 0.000 -12.105) 13.287 11.121 ( -0.003 0.000 -11.232) 11.232 11.125 ( 4.521 0.000 -7.089) 8.408 11.159 ( 0.839 0.000 1.141) 1.417 11.376 ( 1.356 0.000 3.347) 3.611 11.588 ( -6.535 0.000 6.302) 9.079 11.737 ( -9.492 0.000 3.986) 10.295 11.925 ( -6.467 0.000 6.402) 9.100 12.362 ( 1.319 0.000 -6.863) 6.989 12.563 ( -2.089 0.000 2.117) 2.974 12.625 ( -1.424 0.000 0.845) 1.656 13.071 ( -10.082 0.000 -13.055) 16.495 13.083 ( -5.149 0.000 2.321) 5.648 13.191 ( 3.106 0.000 -0.572) 3.159 13.211 ( -1.968 0.000 -10.469) 10.652 13.498 ( 2.926 0.000 5.242) 6.004 13.767 ( 31.022 0.000 7.289) 31.867 13.961 ( -1.444 0.000 12.596) 12.679 14.167 ( -0.471 0.000 -1.644) 1.710 14.243 ( -4.191 0.000 -0.914) 4.290 14.581 ( 3.363 0.000 2.951) 4.474 14.637 ( -11.620 0.000 -3.773) 12.217 14.710 ( -7.049 0.000 -5.512) 8.948 15.085 ( 23.335 0.000 -3.969) 23.670 15.348 ( 1.229 0.000 1.022) 1.599 15.400 ( 1.114 0.000 -2.944) 3.148 15.484 ( -3.798 0.000 -3.725) 5.320 15.620 ( 27.646 0.000 10.919) 29.724 15.780 ( 5.981 0.000 3.379) 6.870 15.974 ( -3.252 0.000 0.244) 3.262 16.207 ( -8.011 0.000 -2.200) 8.307 16.575 ( 1.799 0.000 2.177) 2.824 16.592 ( -30.007 0.000 0.199) 30.008 17.195 ( -0.127 0.000 4.551) 4.552 17.610 ( -0.699 0.000 -4.280) 4.337 20.485 ( 1.448 0.000 -0.581) 1.560 20.705 ( -4.391 0.000 6.529) 7.868 20.709 ( -4.854 0.000 -5.377) 7.244 21.009 ( 3.846 0.000 0.554) 3.885 23.617 ( 1.057 0.000 2.214) 2.454 23.624 ( 0.073 0.000 -0.025) 0.077 23.706 ( 0.172 0.000 1.537) 1.546 23.915 ( -1.143 0.000 4.338) 4.486 23.935 ( 1.033 0.000 -2.196) 2.427 24.117 ( 1.599 0.000 -2.790) 3.216 24.329 ( -0.674 0.000 0.993) 1.200 24.456 ( 1.079 0.000 4.340) 4.472 24.646 ( 1.657 0.000 -5.418) 5.666 24.869 ( -1.117 0.000 3.795) 3.956 24.904 ( -19.101 0.000 -0.938) 19.124 25.127 ( -3.081 0.000 -5.292) 6.124 25.579 ( -2.150 0.000 -0.347) 2.178 25.656 ( 8.137 0.000 -2.737) 8.586 25.692 ( 0.212 0.000 1.482) 1.497 25.795 ( -3.532 0.000 2.578) 4.373 25.849 ( 0.985 0.000 -1.506) 1.799 25.937 ( 0.839 0.000 -0.201) 0.862 26.541 ( -0.977 0.000 -0.952) 1.364 26.597 ( 4.173 0.000 -2.694) 4.967 27.075 ( 13.844 0.000 5.947) 15.067 27.437 ( 2.589 0.000 -2.732) 3.764 27.954 ( -1.273 0.000 4.791) 4.958 28.388 ( 0.293 0.000 -4.358) 4.368 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 21.954 0.000 30.292) 37.411 1.270 ( 18.552 0.000 31.840) 36.851 2.242 ( 23.678 0.000 45.019) 50.866 2.560 ( 1.585 0.000 -4.605) 4.871 2.643 ( -2.539 0.000 -10.709) 11.006 2.683 ( -1.278 0.000 4.184) 4.374 2.952 ( 1.252 0.000 -9.116) 9.201 3.088 ( 1.679 0.000 3.911) 4.256 3.203 ( 4.583 0.000 -0.161) 4.586 3.352 ( 4.759 0.000 -5.413) 7.208 3.444 ( -4.634 0.000 -0.547) 4.667 3.635 ( -1.797 0.000 2.278) 2.902 3.704 ( 0.890 0.000 -6.586) 6.646 4.025 ( -2.049 0.000 6.376) 6.697 4.224 ( -6.365 0.000 -3.770) 7.398 4.256 ( -10.178 0.000 -2.782) 10.551 4.346 ( -8.917 0.000 -0.651) 8.941 4.545 ( -1.583 0.000 -7.045) 7.221 4.626 ( -7.710 0.000 3.689) 8.547 4.685 ( -8.530 0.000 6.479) 10.712 4.729 ( -4.353 0.000 -2.371) 4.957 4.913 ( -13.888 0.000 9.722) 16.953 5.019 ( -10.756 0.000 -4.148) 11.528 5.324 ( -7.549 0.000 -0.487) 7.565 5.349 ( -1.985 0.000 2.238) 2.991 5.461 ( -6.547 0.000 1.939) 6.829 5.466 ( 2.667 0.000 -2.186) 3.448 5.620 ( 11.660 0.000 8.611) 14.494 5.770 ( 4.873 0.000 -4.467) 6.610 5.824 ( 7.354 0.000 7.179) 10.277 6.022 ( 11.506 0.000 -6.832) 13.382 6.164 ( -4.718 0.000 -7.088) 8.515 6.243 ( 1.170 0.000 -4.609) 4.755 6.268 ( 8.655 0.000 -3.097) 9.192 6.417 ( 9.299 0.000 -1.694) 9.452 6.472 ( 1.026 0.000 -12.810) 12.851 6.557 ( -2.154 0.000 0.876) 2.326 6.715 ( 5.175 0.000 0.071) 5.176 6.801 ( -1.327 0.000 -2.099) 2.483 6.819 ( -4.282 0.000 -5.029) 6.605 7.017 ( -7.073 0.000 -2.379) 7.462 7.063 ( 2.159 0.000 -4.430) 4.928 7.127 ( -4.021 0.000 11.439) 12.125 7.197 ( 5.720 0.000 1.938) 6.039 7.296 ( -8.142 0.000 -7.448) 11.035 7.596 ( 5.632 0.000 1.726) 5.890 7.792 ( -10.616 0.000 1.012) 10.664 7.857 ( -5.528 0.000 4.412) 7.073 7.944 ( -4.798 0.000 8.965) 10.169 7.990 ( -1.950 0.000 1.692) 2.581 8.186 ( 5.950 0.000 -0.463) 5.968 8.190 ( -2.786 0.000 5.679) 6.325 8.630 ( -7.357 0.000 -9.947) 12.372 8.674 ( -4.261 0.000 0.515) 4.292 8.754 ( 4.421 0.000 5.784) 7.280 8.912 ( 4.974 0.000 3.341) 5.991 8.983 ( -2.894 0.000 0.615) 2.958 9.075 ( -3.116 0.000 1.991) 3.698 9.320 ( 13.793 0.000 -2.902) 14.095 9.433 ( 9.881 0.000 9.336) 13.594 9.845 ( -4.042 0.000 9.028) 9.891 9.954 ( -0.144 0.000 -4.973) 4.975 9.955 ( 7.104 0.000 5.806) 9.174 10.142 ( -2.710 0.000 5.380) 6.024 10.157 ( 14.588 0.000 -10.762) 18.129 10.274 ( -7.176 0.000 -14.146) 15.862 10.572 ( 4.552 0.000 8.355) 9.515 10.649 ( -0.748 0.000 1.094) 1.325 10.938 ( 0.801 0.000 -1.029) 1.304 11.011 ( -4.318 0.000 -17.152) 17.687 11.037 ( 3.099 0.000 -10.873) 11.306 11.043 ( -2.235 0.000 -9.485) 9.744 11.280 ( 3.254 0.000 4.955) 5.928 11.301 ( 0.045 0.000 5.875) 5.875 11.550 ( -0.647 0.000 5.957) 5.992 11.725 ( 2.790 0.000 4.397) 5.207 11.969 ( 2.612 0.000 1.046) 2.814 12.322 ( -7.208 0.000 -0.964) 7.272 12.535 ( 4.283 0.000 3.892) 5.787 12.584 ( -3.534 0.000 1.156) 3.718 12.820 ( -10.013 0.000 -11.409) 15.180 13.039 ( -1.142 0.000 0.172) 1.155 13.103 ( -1.850 0.000 -12.254) 12.393 13.142 ( -9.450 0.000 4.494) 10.464 13.598 ( 4.036 0.000 4.520) 6.060 13.959 ( -13.834 0.000 4.757) 14.629 13.993 ( -2.388 0.000 10.750) 11.012 14.111 ( 5.911 0.000 1.482) 6.094 14.139 ( -1.191 0.000 -1.994) 2.323 14.518 ( 3.997 0.000 1.655) 4.326 14.624 ( -1.643 0.000 4.567) 4.854 14.716 ( 3.296 0.000 -7.510) 8.201 15.241 ( 2.183 0.000 1.739) 2.791 15.344 ( -4.450 0.000 -0.439) 4.472 15.399 ( 2.721 0.000 -0.466) 2.761 15.522 ( 10.068 0.000 -8.047) 12.889 15.856 ( -3.431 0.000 -4.566) 5.711 15.874 ( -9.474 0.000 4.331) 10.417 15.997 ( 8.094 0.000 11.071) 13.714 16.144 ( -1.904 0.000 -1.682) 2.541 16.517 ( 16.337 0.000 -5.012) 17.089 16.580 ( -3.039 0.000 1.446) 3.366 17.550 ( 26.753 0.000 -13.416) 29.928 17.577 ( -0.005 0.000 -3.743) 3.743 20.538 ( 4.507 0.000 0.117) 4.508 20.693 ( -0.954 0.000 5.920) 5.997 20.843 ( 17.197 0.000 -18.051) 24.931 21.178 ( 13.312 0.000 -2.250) 13.501 23.635 ( 1.009 0.000 0.202) 1.029 23.664 ( 2.680 0.000 1.789) 3.223 23.722 ( 0.524 0.000 2.028) 2.095 23.910 ( -2.033 0.000 3.723) 4.242 23.958 ( 3.017 0.000 -3.062) 4.299 24.134 ( 1.472 0.000 -1.081) 1.826 24.331 ( -0.048 0.000 1.043) 1.044 24.482 ( -0.755 0.000 2.273) 2.395 24.542 ( -18.487 0.000 9.283) 20.687 24.675 ( 3.386 0.000 -0.332) 3.402 24.882 ( 0.501 0.000 3.352) 3.389 25.088 ( -1.285 0.000 -4.948) 5.113 25.531 ( -2.337 0.000 -1.639) 2.855 25.688 ( -1.929 0.000 1.497) 2.441 25.731 ( -2.054 0.000 0.456) 2.104 25.776 ( 4.922 0.000 -1.560) 5.163 25.864 ( 1.389 0.000 -0.798) 1.602 25.979 ( 3.865 0.000 0.475) 3.894 26.505 ( -2.055 0.000 -1.796) 2.729 26.617 ( 0.383 0.000 -1.664) 1.707 27.118 ( -5.826 0.000 5.478) 7.997 27.451 ( 0.755 0.000 -3.512) 3.592 27.927 ( -4.792 0.000 5.356) 7.187 28.211 ( -12.249 0.000 0.907) 12.282 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 18.456 0.000 24.711) 30.842 1.785 ( 15.881 0.000 28.269) 32.424 2.458 ( -1.021 0.000 -4.216) 4.337 2.560 ( 3.050 0.000 -13.612) 13.950 2.589 ( 1.959 0.000 0.885) 2.149 2.932 ( 6.932 0.000 -16.844) 18.215 3.054 ( 4.206 0.000 3.358) 5.383 3.259 ( 22.877 0.000 30.682) 38.272 3.265 ( -0.073 0.000 -0.465) 0.471 3.388 ( 0.299 0.000 -3.410) 3.423 3.407 ( 3.488 0.000 -1.357) 3.743 3.630 ( -4.924 0.000 -3.192) 5.868 3.671 ( 4.490 0.000 6.945) 8.270 3.927 ( -14.375 0.000 3.681) 14.839 4.027 ( -8.666 0.000 0.331) 8.672 4.136 ( 1.346 0.000 0.317) 1.383 4.264 ( -2.069 0.000 -5.384) 5.768 4.403 ( -13.481 0.000 -9.963) 16.763 4.456 ( -10.376 0.000 2.495) 10.672 4.545 ( -12.196 0.000 3.512) 12.692 4.636 ( -1.635 0.000 -1.810) 2.439 4.787 ( -8.124 0.000 14.597) 16.705 4.858 ( 0.077 0.000 -0.083) 0.113 5.170 ( -7.038 0.000 -1.551) 7.207 5.275 ( -5.768 0.000 -3.922) 6.975 5.372 ( -5.228 0.000 5.893) 7.877 5.532 ( 3.989 0.000 -0.535) 4.024 5.651 ( -10.762 0.000 -8.006) 13.413 5.856 ( 7.137 0.000 5.940) 9.286 5.979 ( 5.854 0.000 1.133) 5.962 6.023 ( -1.577 0.000 -8.130) 8.282 6.228 ( 7.014 0.000 -8.619) 11.113 6.273 ( 0.546 0.000 2.384) 2.446 6.277 ( -1.455 0.000 -11.660) 11.750 6.361 ( 3.544 0.000 0.736) 3.620 6.680 ( 9.971 0.000 -1.162) 10.039 6.681 ( 12.161 0.000 -7.904) 14.504 6.718 ( -4.293 0.000 -3.157) 5.329 6.734 ( 1.130 0.000 1.286) 1.712 6.862 ( 5.968 0.000 6.413) 8.761 6.871 ( -5.505 0.000 0.294) 5.512 7.087 ( 3.018 0.000 -2.614) 3.993 7.140 ( -5.849 0.000 -2.997) 6.572 7.179 ( 2.337 0.000 6.419) 6.831 7.309 ( 5.855 0.000 -2.139) 6.234 7.642 ( -4.979 0.000 -2.833) 5.728 7.683 ( -3.102 0.000 6.269) 6.994 7.751 ( -1.697 0.000 -1.337) 2.160 7.922 ( -3.775 0.000 7.794) 8.660 7.951 ( -2.884 0.000 4.532) 5.372 8.192 ( -2.992 0.000 5.875) 6.593 8.257 ( 1.284 0.000 1.907) 2.299 8.434 ( -7.161 0.000 -6.282) 9.526 8.502 ( -10.203 0.000 -3.691) 10.850 8.699 ( -8.544 0.000 2.425) 8.881 8.964 ( -0.731 0.000 1.251) 1.449 9.086 ( 3.967 0.000 -3.596) 5.354 9.151 ( 13.796 0.000 3.417) 14.213 9.600 ( 16.153 0.000 -0.835) 16.174 9.621 ( 4.990 0.000 10.822) 11.917 9.787 ( -6.674 0.000 0.618) 6.703 9.939 ( -1.532 0.000 2.424) 2.868 10.026 ( -6.153 0.000 -3.330) 6.996 10.067 ( 1.570 0.000 0.411) 1.623 10.223 ( 2.150 0.000 1.523) 2.635 10.326 ( 9.912 0.000 -9.696) 13.866 10.636 ( -1.940 0.000 3.116) 3.671 10.646 ( 1.389 0.000 0.318) 1.425 10.807 ( -5.768 0.000 -17.399) 18.330 10.838 ( -8.438 0.000 9.006) 12.341 11.016 ( 6.301 0.000 -16.369) 17.540 11.062 ( 4.502 0.000 -4.420) 6.309 11.319 ( 0.380 0.000 1.346) 1.399 11.445 ( 10.038 0.000 2.248) 10.287 11.577 ( -1.869 0.000 1.449) 2.365 11.746 ( -1.017 0.000 -5.787) 5.876 12.047 ( 4.456 0.000 6.052) 7.516 12.196 ( -6.411 0.000 11.687) 13.330 12.527 ( -5.802 0.000 0.905) 5.872 12.580 ( -8.365 0.000 -3.312) 8.997 12.749 ( 12.689 0.000 6.374) 14.200 12.976 ( -2.255 0.000 -7.442) 7.776 12.980 ( -11.057 0.000 8.511) 13.953 13.082 ( 4.457 0.000 -4.589) 6.397 13.670 ( 1.689 0.000 1.517) 2.270 13.865 ( -0.574 0.000 -0.474) 0.744 13.984 ( -4.405 0.000 6.400) 7.770 14.121 ( 0.751 0.000 -1.108) 1.339 14.126 ( -2.361 0.000 0.297) 2.380 14.565 ( -7.065 0.000 3.043) 7.692 14.638 ( 7.765 0.000 -5.526) 9.530 14.729 ( 3.112 0.000 -7.450) 8.074 15.287 ( 0.996 0.000 6.303) 6.381 15.300 ( -0.268 0.000 -0.190) 0.328 15.431 ( 0.291 0.000 1.946) 1.968 15.618 ( 1.874 0.000 -7.970) 8.188 15.744 ( -7.276 0.000 3.555) 8.098 15.804 ( 3.776 0.000 -1.898) 4.226 16.040 ( -7.971 0.000 3.061) 8.539 16.208 ( 4.659 0.000 11.397) 12.312 16.509 ( -1.871 0.000 -2.551) 3.164 16.751 ( 12.213 0.000 -5.554) 13.417 17.569 ( -0.178 0.000 0.453) 0.487 17.850 ( 15.990 0.000 -14.388) 21.511 20.623 ( 3.767 0.000 -1.143) 3.937 20.745 ( 2.625 0.000 8.927) 9.305 21.013 ( 13.636 0.000 -21.556) 25.507 21.410 ( 13.672 0.000 -2.069) 13.827 23.658 ( 1.166 0.000 0.424) 1.241 23.724 ( 3.008 0.000 0.237) 3.018 23.747 ( 0.734 0.000 2.519) 2.623 23.883 ( -2.843 0.000 2.158) 3.570 23.999 ( 3.779 0.000 -5.470) 6.648 24.161 ( 1.610 0.000 1.314) 2.078 24.272 ( -10.099 0.000 7.331) 12.479 24.403 ( -1.058 0.000 3.493) 3.649 24.454 ( -2.571 0.000 -0.710) 2.668 24.747 ( 2.867 0.000 3.615) 4.613 24.926 ( 1.872 0.000 4.033) 4.446 25.029 ( -2.102 0.000 -3.280) 3.895 25.483 ( -1.573 0.000 -1.769) 2.367 25.642 ( -3.548 0.000 1.037) 3.696 25.689 ( -2.071 0.000 0.049) 2.072 25.851 ( 2.474 0.000 0.760) 2.588 25.896 ( 3.424 0.000 -2.055) 3.993 26.076 ( 5.896 0.000 0.879) 5.961 26.448 ( -2.861 0.000 -2.540) 3.825 26.599 ( -1.288 0.000 -1.260) 1.802 27.052 ( -4.441 0.000 5.898) 7.382 27.421 ( -0.863 0.000 -6.458) 6.515 27.857 ( -5.942 0.000 6.003) 8.446 28.026 ( -8.631 0.000 0.557) 8.649 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.120 0.000 20.416) 20.416 2.147 ( 7.982 0.000 14.445) 16.504 2.431 ( 1.466 0.000 0.546) 1.565 2.537 ( 5.092 0.000 -13.262) 14.206 2.733 ( 7.160 0.000 9.635) 12.004 2.932 ( 3.359 0.000 -18.777) 19.075 3.114 ( 9.317 0.000 -6.802) 11.535 3.156 ( -9.703 0.000 -0.576) 9.720 3.356 ( -2.280 0.000 -6.016) 6.433 3.368 ( 0.263 0.000 -6.389) 6.394 3.558 ( -3.544 0.000 0.083) 3.545 3.648 ( -0.436 0.000 10.613) 10.622 3.674 ( -8.527 0.000 0.040) 8.527 3.959 ( -1.297 0.000 2.484) 2.802 3.991 ( 13.004 0.000 6.819) 14.684 4.064 ( -6.448 0.000 -15.256) 16.563 4.214 ( -3.183 0.000 0.343) 3.202 4.265 ( 1.438 0.000 4.968) 5.172 4.286 ( -13.816 0.000 7.092) 15.530 4.368 ( 3.385 0.000 13.757) 14.167 4.672 ( 3.802 0.000 1.206) 3.989 4.731 ( -7.739 0.000 12.540) 14.736 4.947 ( 7.472 0.000 -0.721) 7.507 5.085 ( -2.884 0.000 5.875) 6.544 5.100 ( -9.242 0.000 -8.389) 12.481 5.326 ( -5.914 0.000 -2.350) 6.364 5.450 ( -3.779 0.000 9.266) 10.007 5.576 ( 2.062 0.000 -2.555) 3.283 5.879 ( -1.863 0.000 -3.129) 3.642 6.016 ( 0.637 0.000 -9.179) 9.201 6.039 ( 1.471 0.000 -4.163) 4.415 6.142 ( 0.774 0.000 1.362) 1.566 6.272 ( -0.595 0.000 4.925) 4.961 6.361 ( -4.418 0.000 -0.617) 4.461 6.397 ( 8.992 0.000 -7.830) 11.923 6.660 ( -0.340 0.000 0.737) 0.811 6.698 ( 3.264 0.000 -7.348) 8.041 6.797 ( 2.834 0.000 1.684) 3.297 6.864 ( 2.316 0.000 -1.741) 2.898 6.900 ( 7.479 0.000 -1.279) 7.587 6.977 ( 1.809 0.000 5.527) 5.816 7.040 ( -2.854 0.000 -2.780) 3.985 7.142 ( 4.816 0.000 -4.851) 6.835 7.233 ( -0.093 0.000 1.993) 1.995 7.342 ( 0.143 0.000 -6.523) 6.525 7.606 ( -6.256 0.000 11.317) 12.931 7.621 ( 4.523 0.000 -1.502) 4.766 7.722 ( -4.396 0.000 -3.636) 5.705 7.880 ( -4.666 0.000 3.404) 5.776 7.988 ( 4.143 0.000 1.317) 4.347 8.141 ( -3.605 0.000 1.436) 3.881 8.235 ( -5.892 0.000 6.165) 8.528 8.311 ( -4.649 0.000 0.401) 4.666 8.370 ( -0.553 0.000 -4.879) 4.910 8.604 ( -3.628 0.000 9.277) 9.961 8.918 ( -2.989 0.000 -2.505) 3.899 9.152 ( 5.034 0.000 -3.587) 6.181 9.376 ( 7.643 0.000 -0.264) 7.648 9.612 ( -4.858 0.000 -7.095) 8.599 9.788 ( 2.532 0.000 7.719) 8.124 9.848 ( 11.123 0.000 -2.254) 11.349 9.877 ( -9.546 0.000 -1.986) 9.751 9.896 ( -4.783 0.000 4.554) 6.604 10.032 ( -1.127 0.000 -2.508) 2.750 10.303 ( 3.903 0.000 5.143) 6.457 10.390 ( 2.646 0.000 -10.982) 11.296 10.535 ( -7.079 0.000 -3.427) 7.865 10.640 ( -2.407 0.000 -6.644) 7.067 10.764 ( 9.187 0.000 1.591) 9.324 10.775 ( -2.452 0.000 1.407) 2.827 11.061 ( 6.459 0.000 -11.374) 13.080 11.183 ( 8.031 0.000 7.969) 11.314 11.307 ( -2.112 0.000 -5.452) 5.847 11.511 ( -3.084 0.000 1.865) 3.604 11.583 ( -1.462 0.000 -7.767) 7.903 11.673 ( 3.998 0.000 -6.621) 7.734 12.181 ( 4.654 0.000 9.791) 10.841 12.217 ( -2.833 0.000 18.623) 18.838 12.338 ( -6.681 0.000 -4.597) 8.110 12.590 ( 0.336 0.000 14.338) 14.342 12.849 ( -7.927 0.000 6.289) 10.119 12.873 ( -0.069 0.000 -6.976) 6.976 13.018 ( 5.703 0.000 10.089) 11.589 13.193 ( 9.994 0.000 -2.891) 10.404 13.676 ( -0.726 0.000 -1.574) 1.733 13.875 ( 2.327 0.000 -3.073) 3.855 13.901 ( -6.807 0.000 -0.061) 6.807 14.080 ( -2.815 0.000 1.253) 3.082 14.155 ( 3.106 0.000 -0.228) 3.114 14.430 ( -8.260 0.000 1.359) 8.371 14.681 ( 2.563 0.000 -9.770) 10.101 14.748 ( 4.081 0.000 -13.047) 13.671 15.313 ( 0.813 0.000 0.760) 1.113 15.361 ( 1.951 0.000 9.314) 9.516 15.434 ( -0.787 0.000 2.238) 2.372 15.558 ( -1.507 0.000 -4.744) 4.978 15.646 ( -4.814 0.000 1.055) 4.928 15.906 ( -9.539 0.000 5.914) 11.223 15.910 ( 5.527 0.000 -1.374) 5.695 16.223 ( -3.253 0.000 -0.196) 3.259 16.561 ( 4.658 0.000 3.569) 5.868 16.907 ( 8.169 0.000 -3.869) 9.039 17.563 ( -2.007 0.000 4.076) 4.544 18.003 ( 9.631 0.000 -10.539) 14.277 20.645 ( 0.192 0.000 -2.127) 2.136 20.873 ( 3.541 0.000 12.225) 12.728 21.081 ( 7.751 0.000 -21.667) 23.011 21.666 ( 14.521 0.000 3.249) 14.880 23.678 ( 0.627 0.000 0.895) 1.093 23.767 ( 1.829 0.000 -1.385) 2.294 23.774 ( 0.380 0.000 2.576) 2.604 23.836 ( -2.961 0.000 0.859) 3.083 24.015 ( 1.971 0.000 -7.871) 8.114 24.140 ( -8.733 0.000 8.065) 11.887 24.208 ( 2.185 0.000 1.815) 2.841 24.395 ( -3.072 0.000 -0.636) 3.137 24.425 ( 0.844 0.000 1.326) 1.572 24.801 ( 1.182 0.000 1.642) 2.024 24.977 ( 0.024 0.000 5.516) 5.517 24.992 ( -0.287 0.000 -0.849) 0.896 25.465 ( 0.494 0.000 0.003) 0.494 25.589 ( -2.547 0.000 0.883) 2.696 25.660 ( -1.166 0.000 -0.080) 1.169 25.878 ( 0.363 0.000 1.155) 1.210 25.949 ( 3.017 0.000 -2.071) 3.659 26.177 ( 4.149 0.000 -0.640) 4.198 26.385 ( -1.798 0.000 -1.938) 2.644 26.561 ( -1.847 0.000 -1.600) 2.443 27.012 ( -3.218 0.000 2.257) 3.931 27.358 ( -0.651 0.000 -9.265) 9.288 27.799 ( -4.259 0.000 6.564) 7.824 27.913 ( -4.073 0.000 0.909) 4.174 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -19.013 0.000 10.555) 21.747 2.181 ( -12.977 0.000 5.913) 14.260 2.488 ( 0.510 0.000 0.038) 0.512 2.561 ( -0.472 0.000 -4.631) 4.655 2.868 ( 8.523 0.000 0.448) 8.535 2.876 ( 0.170 0.000 -10.504) 10.506 3.043 ( -2.261 0.000 6.869) 7.231 3.218 ( 1.973 0.000 -8.060) 8.298 3.340 ( 8.375 0.000 -4.930) 9.718 3.380 ( 3.530 0.000 -2.290) 4.208 3.485 ( 1.366 0.000 -6.963) 7.096 3.575 ( -0.949 0.000 2.206) 2.401 3.686 ( -0.073 0.000 0.195) 0.209 3.910 ( -18.037 0.000 -4.111) 18.500 3.925 ( -1.446 0.000 -1.342) 1.973 4.051 ( 2.963 0.000 -5.655) 6.385 4.093 ( -4.715 0.000 -0.998) 4.820 4.201 ( 2.414 0.000 0.872) 2.567 4.309 ( 3.202 0.000 4.331) 5.386 4.573 ( -2.825 0.000 18.432) 18.647 4.727 ( -2.886 0.000 19.506) 19.718 4.761 ( 4.192 0.000 5.921) 7.255 4.867 ( -6.322 0.000 -12.589) 14.087 5.101 ( 6.930 0.000 3.075) 7.582 5.124 ( -0.379 0.000 8.784) 8.792 5.192 ( -0.657 0.000 0.933) 1.142 5.591 ( 1.976 0.000 -5.201) 5.564 5.667 ( 13.256 0.000 16.963) 21.528 5.858 ( 2.773 0.000 -3.667) 4.598 5.923 ( -4.891 0.000 -5.670) 7.489 6.036 ( 2.193 0.000 -0.641) 2.285 6.207 ( -9.851 0.000 -3.524) 10.462 6.241 ( 6.727 0.000 1.429) 6.877 6.335 ( 3.322 0.000 1.458) 3.628 6.471 ( 4.226 0.000 -7.646) 8.736 6.677 ( 1.140 0.000 -1.350) 1.767 6.751 ( 6.061 0.000 -8.723) 10.622 6.805 ( -0.549 0.000 2.774) 2.827 6.889 ( -0.079 0.000 1.120) 1.122 6.908 ( -6.921 0.000 2.487) 7.354 6.989 ( -1.390 0.000 0.524) 1.486 7.038 ( 3.096 0.000 -0.083) 3.097 7.161 ( 0.713 0.000 -8.054) 8.086 7.223 ( -0.805 0.000 0.921) 1.223 7.284 ( -2.928 0.000 -4.432) 5.312 7.564 ( -7.449 0.000 -5.293) 9.138 7.622 ( 2.332 0.000 2.910) 3.729 7.699 ( -1.351 0.000 2.123) 2.516 7.808 ( -0.275 0.000 -2.328) 2.344 7.970 ( -5.683 0.000 -4.696) 7.373 8.139 ( 7.120 0.000 -3.434) 7.905 8.202 ( -1.319 0.000 7.808) 7.918 8.334 ( -0.727 0.000 13.473) 13.492 8.375 ( 3.297 0.000 -3.666) 4.930 8.681 ( 4.089 0.000 15.752) 16.274 8.854 ( -2.183 0.000 -2.436) 3.271 9.209 ( 2.999 0.000 -3.529) 4.631 9.352 ( -3.927 0.000 -7.999) 8.911 9.557 ( -15.921 0.000 -4.391) 16.516 9.598 ( 2.725 0.000 -2.957) 4.021 9.829 ( -3.849 0.000 2.750) 4.730 9.948 ( 5.501 0.000 2.588) 6.080 9.963 ( 2.040 0.000 -2.469) 3.203 10.000 ( -0.940 0.000 -3.011) 3.154 10.226 ( -9.333 0.000 -16.508) 18.963 10.400 ( 3.321 0.000 5.486) 6.413 10.474 ( 1.564 0.000 -2.503) 2.952 10.643 ( 2.479 0.000 5.226) 5.784 10.770 ( 1.476 0.000 0.132) 1.482 10.994 ( 13.130 0.000 3.729) 13.649 11.105 ( 5.247 0.000 -11.276) 12.437 11.184 ( -5.387 0.000 -4.022) 6.722 11.363 ( -7.522 0.000 0.583) 7.545 11.389 ( 4.234 0.000 -6.918) 8.111 11.520 ( 1.079 0.000 1.674) 1.992 11.711 ( -0.526 0.000 -5.534) 5.559 12.263 ( -3.340 0.000 16.182) 16.524 12.288 ( -1.307 0.000 9.768) 9.855 12.325 ( 6.769 0.000 6.565) 9.430 12.654 ( -2.922 0.000 5.948) 6.627 12.826 ( -2.210 0.000 -2.009) 2.987 12.843 ( 3.732 0.000 15.264) 15.713 13.124 ( 1.658 0.000 2.231) 2.779 13.351 ( 5.214 0.000 5.281) 7.421 13.647 ( -0.047 0.000 -3.264) 3.264 13.753 ( -7.284 0.000 -3.976) 8.299 13.912 ( 3.398 0.000 -2.395) 4.157 14.032 ( -3.570 0.000 0.911) 3.685 14.212 ( 2.566 0.000 -2.137) 3.339 14.318 ( -3.453 0.000 1.160) 3.643 14.635 ( -0.582 0.000 -16.607) 16.617 14.714 ( 1.671 0.000 -11.934) 12.051 15.323 ( 0.047 0.000 0.786) 0.788 15.382 ( -2.743 0.000 1.261) 3.019 15.472 ( -0.620 0.000 7.351) 7.377 15.547 ( 2.177 0.000 -1.625) 2.717 15.610 ( 1.598 0.000 0.758) 1.769 15.779 ( -7.244 0.000 6.271) 9.581 15.934 ( -1.359 0.000 -1.921) 2.353 16.196 ( 1.219 0.000 -3.719) 3.913 16.626 ( -0.913 0.000 5.176) 5.256 16.996 ( 3.331 0.000 -2.192) 3.988 17.549 ( -1.924 0.000 4.562) 4.951 18.096 ( 6.682 0.000 -7.583) 10.107 20.617 ( -1.682 0.000 -2.218) 2.784 20.975 ( -0.979 0.000 13.518) 13.553 21.062 ( 3.096 0.000 -18.017) 18.282 21.958 ( 15.027 0.000 3.171) 15.358 23.690 ( -0.192 0.000 1.675) 1.686 23.755 ( -2.533 0.000 -1.996) 3.225 23.766 ( -0.783 0.000 -2.801) 2.908 23.823 ( -0.763 0.000 6.437) 6.482 23.990 ( 0.856 0.000 -7.843) 7.890 24.054 ( -5.795 0.000 8.139) 9.991 24.232 ( -0.728 0.000 -0.090) 0.734 24.359 ( -0.514 0.000 1.028) 1.149 24.434 ( -0.560 0.000 0.783) 0.963 24.805 ( -0.395 0.000 -2.600) 2.630 24.975 ( -3.217 0.000 4.509) 5.539 25.015 ( 2.569 0.000 1.506) 2.978 25.503 ( 2.177 0.000 3.187) 3.860 25.573 ( 0.216 0.000 1.392) 1.409 25.646 ( -0.206 0.000 -0.207) 0.292 25.883 ( -0.532 0.000 1.267) 1.375 25.970 ( 0.732 0.000 -2.736) 2.833 26.172 ( -2.743 0.000 -4.093) 4.928 26.401 ( 3.420 0.000 1.060) 3.580 26.516 ( -1.790 0.000 -3.247) 3.707 26.944 ( -4.936 0.000 -0.824) 5.004 27.310 ( 1.535 0.000 -9.453) 9.577 27.781 ( -1.620 0.000 5.920) 6.137 27.896 ( 1.164 0.000 2.137) 2.433 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -27.307 0.000 10.987) 29.434 1.765 ( -31.171 0.000 1.669) 31.216 2.370 ( -13.268 0.000 -8.914) 15.984 2.500 ( -4.131 0.000 2.726) 4.949 2.798 ( -5.480 0.000 3.343) 6.420 3.080 ( 7.387 0.000 0.329) 7.394 3.127 ( 10.768 0.000 1.128) 10.827 3.193 ( -0.706 0.000 -5.894) 5.936 3.438 ( 2.633 0.000 -4.100) 4.873 3.477 ( 5.745 0.000 0.931) 5.819 3.513 ( -17.151 0.000 -2.498) 17.332 3.558 ( 11.404 0.000 -4.905) 12.414 3.590 ( -0.004 0.000 -0.327) 0.327 3.746 ( 5.980 0.000 -0.033) 5.980 3.824 ( -8.507 0.000 -0.101) 8.508 4.014 ( -0.799 0.000 -8.084) 8.124 4.069 ( 5.246 0.000 -1.219) 5.386 4.304 ( 7.663 0.000 -1.947) 7.906 4.431 ( 4.920 0.000 7.269) 8.778 4.641 ( 0.824 0.000 16.070) 16.091 4.719 ( -0.593 0.000 -12.143) 12.158 4.731 ( -5.244 0.000 14.662) 15.571 4.965 ( 9.573 0.000 13.182) 16.292 5.107 ( -3.040 0.000 6.287) 6.983 5.233 ( 5.012 0.000 4.834) 6.963 5.339 ( 8.278 0.000 6.410) 10.469 5.575 ( -1.024 0.000 -3.727) 3.865 5.799 ( -4.759 0.000 -4.875) 6.813 5.908 ( 4.062 0.000 3.706) 5.499 5.947 ( 8.395 0.000 -1.918) 8.611 5.965 ( -7.746 0.000 -6.936) 10.398 6.188 ( 5.456 0.000 3.479) 6.470 6.298 ( -1.955 0.000 -6.764) 7.040 6.381 ( 2.903 0.000 4.319) 5.204 6.533 ( 8.051 0.000 -3.445) 8.757 6.620 ( -12.794 0.000 -8.121) 15.154 6.651 ( -2.021 0.000 -4.820) 5.226 6.847 ( -1.375 0.000 1.629) 2.132 6.874 ( 0.380 0.000 -0.812) 0.896 6.936 ( 4.551 0.000 11.470) 12.340 6.941 ( -3.344 0.000 -1.557) 3.688 7.094 ( -3.466 0.000 -5.865) 6.813 7.126 ( 4.978 0.000 1.639) 5.241 7.202 ( 0.157 0.000 -4.389) 4.392 7.204 ( -1.018 0.000 3.870) 4.002 7.378 ( -7.396 0.000 -9.287) 11.872 7.619 ( -3.089 0.000 -0.091) 3.090 7.723 ( 7.059 0.000 -4.429) 8.333 7.845 ( 1.586 0.000 1.922) 2.492 7.931 ( 2.576 0.000 1.768) 3.124 8.229 ( 2.921 0.000 -1.252) 3.178 8.232 ( -0.772 0.000 4.927) 4.987 8.366 ( -1.084 0.000 7.093) 7.175 8.473 ( 9.691 0.000 -2.428) 9.991 8.811 ( -1.954 0.000 -0.819) 2.119 8.899 ( 7.765 0.000 17.366) 19.023 9.203 ( -1.974 0.000 -2.450) 3.146 9.221 ( -9.096 0.000 -5.795) 10.785 9.298 ( -7.342 0.000 0.872) 7.394 9.568 ( -2.843 0.000 -6.488) 7.084 9.784 ( -1.002 0.000 -4.601) 4.709 9.846 ( -12.784 0.000 -5.424) 13.887 9.975 ( -0.315 0.000 -1.197) 1.237 10.053 ( 4.320 0.000 1.647) 4.623 10.056 ( 2.350 0.000 -9.412) 9.700 10.499 ( 4.479 0.000 6.586) 7.965 10.499 ( 1.580 0.000 -2.774) 3.192 10.706 ( -1.119 0.000 5.309) 5.426 10.824 ( 3.968 0.000 0.778) 4.043 11.033 ( -1.486 0.000 -5.600) 5.794 11.034 ( -6.104 0.000 -19.751) 20.673 11.195 ( -0.116 0.000 -4.005) 4.007 11.348 ( 13.367 0.000 12.051) 17.997 11.483 ( 2.297 0.000 -1.070) 2.534 11.523 ( -1.219 0.000 -0.256) 1.245 11.600 ( -5.989 0.000 -6.951) 9.175 12.285 ( -2.098 0.000 9.374) 9.606 12.302 ( -4.999 0.000 13.664) 14.550 12.533 ( 8.211 0.000 8.418) 11.759 12.643 ( 3.036 0.000 2.842) 4.158 12.740 ( -7.381 0.000 -0.579) 7.403 13.067 ( 7.482 0.000 18.932) 20.357 13.114 ( -1.047 0.000 -1.540) 1.862 13.416 ( -1.465 0.000 4.115) 4.368 13.623 ( -3.442 0.000 -6.126) 7.027 13.675 ( 2.838 0.000 5.020) 5.767 13.920 ( -5.173 0.000 -1.602) 5.415 13.984 ( 0.979 0.000 -0.990) 1.392 14.190 ( -1.356 0.000 -2.622) 2.952 14.346 ( 4.085 0.000 -0.672) 4.140 14.472 ( -4.102 0.000 -19.437) 19.865 14.700 ( 2.861 0.000 -8.615) 9.078 15.325 ( -2.890 0.000 -2.254) 3.665 15.338 ( 0.949 0.000 1.769) 2.007 15.450 ( -3.422 0.000 2.882) 4.474 15.601 ( 3.922 0.000 -0.479) 3.952 15.610 ( -5.612 0.000 6.130) 8.311 15.820 ( 8.685 0.000 2.738) 9.106 15.879 ( -2.500 0.000 -3.723) 4.485 16.166 ( -3.941 0.000 -1.221) 4.126 16.596 ( -4.471 0.000 4.076) 6.051 16.998 ( -2.050 0.000 -0.799) 2.200 17.558 ( 0.822 0.000 2.581) 2.709 18.161 ( 4.837 0.000 -6.754) 8.307 20.566 ( -2.413 0.000 -1.828) 3.027 20.982 ( -6.482 0.000 12.640) 14.205 21.003 ( 0.676 0.000 -13.410) 13.427 22.203 ( 11.803 0.000 -8.231) 14.389 23.691 ( -1.552 0.000 3.183) 3.541 23.699 ( -1.252 0.000 -2.673) 2.951 23.710 ( -3.008 0.000 -3.171) 4.371 23.851 ( -1.774 0.000 10.776) 10.921 23.970 ( 1.226 0.000 -5.868) 5.995 24.041 ( -1.417 0.000 13.742) 13.815 24.190 ( -3.047 0.000 -0.624) 3.110 24.373 ( 0.920 0.000 0.514) 1.054 24.417 ( -1.714 0.000 0.926) 1.948 24.765 ( -0.987 0.000 -5.865) 5.948 24.931 ( -3.728 0.000 3.609) 5.189 25.096 ( 4.702 0.000 3.299) 5.744 25.557 ( 1.570 0.000 3.140) 3.510 25.609 ( 1.935 0.000 3.050) 3.612 25.651 ( 0.861 0.000 -0.275) 0.904 25.873 ( -1.454 0.000 1.559) 2.132 25.941 ( -1.585 0.000 -5.045) 5.288 26.080 ( -4.301 0.000 -3.645) 5.637 26.451 ( -2.613 0.000 -6.540) 7.043 26.475 ( 3.392 0.000 1.209) 3.601 26.837 ( -5.862 0.000 -0.447) 5.879 27.308 ( 3.599 0.000 -7.831) 8.619 27.806 ( 0.940 0.000 4.595) 4.690 27.965 ( 4.396 0.000 2.649) 5.133 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -27.405 0.000 19.699) 33.750 1.197 ( -32.150 0.000 7.023) 32.908 1.862 ( -37.904 0.000 4.068) 38.122 2.461 ( -2.302 0.000 5.280) 5.760 2.787 ( 1.138 0.000 6.874) 6.968 3.117 ( -4.204 0.000 -3.536) 5.493 3.186 ( -3.872 0.000 -2.721) 4.733 3.221 ( 8.178 0.000 -1.222) 8.269 3.269 ( -7.262 0.000 -1.881) 7.502 3.403 ( -3.151 0.000 -3.454) 4.675 3.433 ( -7.987 0.000 -8.029) 11.325 3.659 ( 5.065 0.000 1.524) 5.289 3.825 ( 12.634 0.000 6.240) 14.091 3.832 ( 2.935 0.000 -1.837) 3.462 3.893 ( 17.175 0.000 -0.855) 17.196 3.951 ( 1.433 0.000 -4.823) 5.031 4.233 ( 9.768 0.000 1.097) 9.829 4.454 ( 10.135 0.000 -0.938) 10.178 4.550 ( 5.353 0.000 5.708) 7.825 4.657 ( 0.795 0.000 -11.884) 11.910 4.735 ( 1.249 0.000 10.766) 10.838 4.821 ( 6.440 0.000 14.746) 16.090 5.108 ( -1.043 0.000 6.060) 6.150 5.175 ( 4.665 0.000 6.979) 8.394 5.336 ( 2.502 0.000 7.901) 8.287 5.467 ( 2.249 0.000 0.136) 2.253 5.546 ( -0.643 0.000 0.034) 0.644 5.692 ( -5.256 0.000 -2.617) 5.872 5.759 ( -6.257 0.000 -4.133) 7.499 5.981 ( -1.659 0.000 -0.382) 1.703 6.036 ( -6.906 0.000 -11.360) 13.295 6.181 ( 5.085 0.000 0.416) 5.102 6.237 ( 5.418 0.000 -1.850) 5.725 6.389 ( -5.877 0.000 -2.551) 6.406 6.482 ( -12.615 0.000 -6.959) 14.408 6.538 ( 5.826 0.000 8.561) 10.355 6.616 ( -1.416 0.000 -9.339) 9.446 6.809 ( -2.285 0.000 -13.758) 13.946 6.858 ( -0.046 0.000 3.093) 3.093 6.875 ( 0.209 0.000 1.507) 1.522 7.003 ( -1.715 0.000 -4.539) 4.853 7.007 ( -3.824 0.000 6.298) 7.368 7.102 ( 1.018 0.000 4.431) 4.546 7.233 ( -4.219 0.000 -1.723) 4.557 7.299 ( 9.947 0.000 -3.703) 10.614 7.457 ( 15.420 0.000 10.664) 18.749 7.624 ( 2.180 0.000 4.439) 4.946 7.765 ( 2.443 0.000 -10.381) 10.665 7.879 ( 1.062 0.000 2.749) 2.947 8.015 ( 1.213 0.000 6.328) 6.443 8.227 ( -2.332 0.000 4.065) 4.686 8.232 ( -2.873 0.000 8.065) 8.561 8.430 ( 7.908 0.000 -5.531) 9.651 8.645 ( 7.464 0.000 -3.923) 8.432 8.748 ( -2.650 0.000 -2.594) 3.708 9.016 ( -8.228 0.000 0.549) 8.246 9.060 ( 0.771 0.000 -2.663) 2.772 9.139 ( -2.755 0.000 1.687) 3.231 9.306 ( 2.830 0.000 17.793) 18.017 9.464 ( -5.049 0.000 -3.042) 5.894 9.553 ( -12.510 0.000 -6.391) 14.048 9.782 ( 4.252 0.000 -10.097) 10.955 9.949 ( -2.582 0.000 1.176) 2.837 10.122 ( 6.146 0.000 0.169) 6.149 10.123 ( 2.278 0.000 1.360) 2.653 10.456 ( -5.069 0.000 -4.708) 6.918 10.636 ( 1.598 0.000 6.386) 6.582 10.661 ( -0.309 0.000 2.111) 2.133 10.803 ( -6.154 0.000 -16.208) 17.337 10.908 ( 5.000 0.000 -1.064) 5.112 11.011 ( 0.656 0.000 -3.222) 3.288 11.190 ( 0.946 0.000 -4.845) 4.936 11.394 ( -4.799 0.000 -13.806) 14.616 11.403 ( -6.527 0.000 -2.608) 7.028 11.557 ( 1.982 0.000 3.376) 3.915 11.647 ( 5.097 0.000 11.895) 12.941 12.282 ( -5.050 0.000 12.646) 13.617 12.314 ( 3.077 0.000 1.450) 3.401 12.580 ( -7.102 0.000 -3.670) 7.994 12.604 ( 1.310 0.000 0.033) 1.310 12.866 ( 10.762 0.000 13.706) 17.427 13.120 ( 0.399 0.000 5.116) 5.131 13.253 ( 2.087 0.000 8.761) 9.006 13.365 ( -3.150 0.000 -3.947) 5.050 13.540 ( -2.904 0.000 -4.096) 5.021 13.720 ( -14.108 0.000 -7.792) 16.117 13.786 ( 2.945 0.000 12.131) 12.484 13.994 ( 0.873 0.000 1.775) 1.978 14.169 ( 0.525 0.000 -2.426) 2.482 14.366 ( 3.161 0.000 -8.951) 9.493 14.418 ( 4.479 0.000 -1.316) 4.668 14.709 ( 2.994 0.000 -7.057) 7.665 15.257 ( -2.645 0.000 -4.169) 4.937 15.377 ( 1.641 0.000 3.270) 3.658 15.410 ( -1.849 0.000 0.830) 2.026 15.531 ( -6.130 0.000 3.669) 7.144 15.646 ( 0.682 0.000 -4.347) 4.400 15.806 ( -3.457 0.000 -0.865) 3.563 16.022 ( 10.531 0.000 3.680) 11.156 16.058 ( -6.120 0.000 0.600) 6.150 16.540 ( -2.959 0.000 2.034) 3.591 16.924 ( -5.284 0.000 -0.432) 5.301 17.600 ( 2.474 0.000 0.141) 2.478 18.172 ( 0.810 0.000 -12.083) 12.110 20.517 ( -1.973 0.000 -1.281) 2.352 20.897 ( -9.594 0.000 10.434) 14.175 20.944 ( 0.183 0.000 -9.408) 9.410 22.183 ( -3.737 0.000 -37.455) 37.641 23.642 ( -2.706 0.000 -1.305) 3.005 23.659 ( -1.374 0.000 -0.791) 1.585 23.696 ( -0.332 0.000 1.469) 1.506 23.881 ( -1.155 0.000 8.708) 8.784 23.960 ( 0.480 0.000 -3.780) 3.811 24.135 ( -1.725 0.000 -2.090) 2.710 24.227 ( 8.773 0.000 32.964) 34.112 24.391 ( 0.737 0.000 0.720) 1.030 24.395 ( -1.201 0.000 4.977) 5.120 24.712 ( -0.701 0.000 -6.992) 7.027 24.893 ( -2.723 0.000 3.848) 4.714 25.221 ( 6.611 0.000 5.586) 8.655 25.594 ( 0.821 0.000 2.060) 2.218 25.655 ( 0.943 0.000 2.767) 2.923 25.669 ( 0.735 0.000 -0.923) 1.180 25.849 ( -2.899 0.000 -10.559) 10.950 25.852 ( -2.914 0.000 3.312) 4.411 25.992 ( -3.249 0.000 -2.055) 3.845 26.345 ( -4.044 0.000 -7.105) 8.175 26.529 ( 1.872 0.000 0.651) 1.982 26.749 ( -4.323 0.000 3.384) 5.490 27.344 ( 4.416 0.000 -5.653) 7.173 27.862 ( 2.369 0.000 3.734) 4.422 28.071 ( 5.414 0.000 3.169) 6.273 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -20.757 0.000 25.192) 32.641 0.836 ( -27.558 0.000 20.110) 34.115 1.341 ( -25.392 0.000 50.784) 56.778 2.481 ( 1.922 0.000 1.840) 2.661 2.872 ( 3.821 0.000 -0.725) 3.889 3.013 ( -4.407 0.000 -0.988) 4.516 3.023 ( -11.318 0.000 -1.090) 11.370 3.194 ( -4.695 0.000 2.162) 5.169 3.207 ( -3.940 0.000 -8.645) 9.501 3.318 ( -1.322 0.000 -6.055) 6.197 3.420 ( 7.974 0.000 -2.571) 8.378 3.736 ( 1.257 0.000 -3.397) 3.622 3.803 ( -2.926 0.000 -9.287) 9.737 3.878 ( 6.372 0.000 2.651) 6.902 4.118 ( 7.704 0.000 9.086) 11.913 4.315 ( 20.891 0.000 -0.489) 20.897 4.342 ( 0.027 0.000 6.424) 6.424 4.580 ( 4.251 0.000 -7.814) 8.895 4.696 ( 10.334 0.000 3.944) 11.061 4.697 ( 5.050 0.000 6.058) 7.886 4.862 ( 5.863 0.000 0.703) 5.905 5.070 ( 11.173 0.000 12.396) 16.688 5.128 ( 1.067 0.000 6.216) 6.307 5.179 ( -6.964 0.000 -6.014) 9.201 5.399 ( -4.012 0.000 8.298) 9.217 5.417 ( -3.429 0.000 -4.595) 5.733 5.454 ( -2.310 0.000 -6.013) 6.442 5.603 ( -5.568 0.000 0.752) 5.618 5.673 ( -5.121 0.000 3.863) 6.414 5.842 ( -1.752 0.000 -1.300) 2.182 5.952 ( 0.458 0.000 1.472) 1.542 6.159 ( -15.676 0.000 -6.632) 17.021 6.326 ( -2.040 0.000 -3.796) 4.310 6.342 ( 4.990 0.000 -6.425) 8.134 6.393 ( 11.400 0.000 3.706) 11.987 6.424 ( -7.608 0.000 -11.445) 13.743 6.644 ( 2.307 0.000 3.808) 4.452 6.678 ( -0.727 0.000 -18.802) 18.816 6.842 ( -1.417 0.000 -0.441) 1.484 6.922 ( 2.790 0.000 -3.428) 4.420 7.011 ( 1.426 0.000 4.987) 5.187 7.016 ( 3.106 0.000 1.449) 3.428 7.164 ( -2.628 0.000 -2.972) 3.968 7.189 ( 1.934 0.000 10.516) 10.692 7.451 ( 5.584 0.000 1.169) 5.705 7.700 ( 0.745 0.000 1.584) 1.750 7.727 ( 7.348 0.000 5.612) 9.246 7.743 ( 3.173 0.000 -8.774) 9.330 8.003 ( 12.169 0.000 12.213) 17.241 8.033 ( -0.939 0.000 4.735) 4.827 8.175 ( -7.243 0.000 3.793) 8.176 8.234 ( -2.660 0.000 7.724) 8.169 8.545 ( 5.330 0.000 -2.704) 5.977 8.555 ( -4.942 0.000 -2.213) 5.414 8.841 ( 8.792 0.000 -4.795) 10.015 8.942 ( -0.359 0.000 -9.159) 9.166 8.991 ( -0.552 0.000 1.069) 1.203 9.101 ( -6.176 0.000 -10.635) 12.298 9.338 ( -8.235 0.000 -0.868) 8.280 9.422 ( 5.489 0.000 6.561) 8.555 9.528 ( 6.332 0.000 22.588) 23.458 9.754 ( -8.874 0.000 -6.850) 11.210 9.910 ( -3.027 0.000 3.710) 4.788 10.149 ( -0.128 0.000 1.485) 1.491 10.202 ( 0.158 0.000 -4.632) 4.634 10.279 ( -6.544 0.000 0.184) 6.546 10.569 ( -4.623 0.000 3.739) 5.945 10.686 ( 3.042 0.000 -8.791) 9.303 10.759 ( 0.923 0.000 -2.299) 2.477 10.980 ( 6.223 0.000 -9.852) 11.653 11.013 ( 2.861 0.000 -0.253) 2.872 11.187 ( 1.041 0.000 -6.158) 6.246 11.255 ( -5.870 0.000 -5.263) 7.884 11.270 ( -0.152 0.000 -2.515) 2.520 11.659 ( 6.847 0.000 3.547) 7.711 11.675 ( -6.212 0.000 7.646) 9.852 12.230 ( -10.772 0.000 5.055) 11.899 12.390 ( 2.094 0.000 -5.397) 5.789 12.511 ( 3.085 0.000 -0.021) 3.085 12.625 ( 0.722 0.000 0.811) 1.086 13.107 ( 6.131 0.000 7.029) 9.327 13.148 ( -2.587 0.000 6.161) 6.682 13.232 ( -1.433 0.000 4.278) 4.512 13.285 ( -1.736 0.000 -6.747) 6.966 13.395 ( -10.481 0.000 -8.486) 13.486 13.475 ( -2.059 0.000 -0.526) 2.125 13.895 ( 0.579 0.000 13.714) 13.727 14.117 ( 8.423 0.000 9.689) 12.838 14.172 ( 0.868 0.000 -1.891) 2.080 14.465 ( 10.357 0.000 1.054) 10.411 14.496 ( 4.644 0.000 -0.010) 4.644 14.730 ( 3.235 0.000 -3.534) 4.792 15.154 ( -7.355 0.000 -8.043) 10.899 15.391 ( -2.293 0.000 -0.731) 2.407 15.413 ( -0.206 0.000 1.057) 1.077 15.436 ( -4.339 0.000 5.923) 7.342 15.568 ( -3.439 0.000 -4.522) 5.682 15.750 ( -3.029 0.000 0.635) 3.094 16.002 ( -1.234 0.000 1.521) 1.959 16.205 ( 5.869 0.000 3.962) 7.081 16.531 ( 1.168 0.000 0.801) 1.416 16.833 ( -3.105 0.000 -2.046) 3.719 17.629 ( 1.003 0.000 -2.163) 2.384 17.898 ( -26.208 0.000 -31.513) 40.987 20.485 ( -0.717 0.000 -0.952) 1.192 20.781 ( -8.458 0.000 8.193) 11.775 20.908 ( 0.863 0.000 -7.482) 7.532 21.509 ( -41.536 0.000 -48.085) 63.540 23.607 ( -1.005 0.000 1.023) 1.434 23.634 ( -0.912 0.000 -0.520) 1.050 23.698 ( -0.181 0.000 1.189) 1.203 23.904 ( -0.673 0.000 5.154) 5.198 23.943 ( -0.235 0.000 -2.360) 2.372 24.112 ( 0.758 0.000 -3.294) 3.380 24.344 ( -1.343 0.000 1.031) 1.693 24.415 ( 1.041 0.000 2.492) 2.701 24.667 ( 0.162 0.000 -6.769) 6.770 24.784 ( 20.414 0.000 23.415) 31.065 24.874 ( -1.929 0.000 4.055) 4.490 25.419 ( 7.523 0.000 0.366) 7.531 25.519 ( -10.235 0.000 -10.965) 15.000 25.605 ( -0.853 0.000 1.239) 1.504 25.677 ( 0.455 0.000 1.399) 1.471 25.812 ( 2.152 0.000 3.498) 4.107 25.831 ( -1.074 0.000 1.400) 1.765 25.944 ( -1.223 0.000 -0.759) 1.439 26.357 ( 12.009 0.000 9.950) 15.596 26.550 ( 0.335 0.000 -0.113) 0.353 26.744 ( 1.334 0.000 11.960) 12.034 27.395 ( 3.955 0.000 -3.722) 5.431 27.923 ( 1.669 0.000 3.966) 4.303 28.216 ( 9.424 0.000 4.948) 10.644 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 2.662 18.997 24.885) 31.420 1.152 ( -2.109 24.488 27.801) 37.109 1.939 ( 10.274 32.163 49.912) 60.260 2.524 ( 6.599 -3.437 -9.727) 12.246 2.703 ( -11.068 -1.728 2.645) 11.510 2.900 ( -6.316 1.282 -6.100) 8.874 2.957 ( 2.557 -4.718 1.441) 5.556 3.015 ( -2.786 -3.022 3.028) 5.105 3.163 ( -1.404 1.933 -5.349) 5.858 3.247 ( 1.839 -3.734 -2.616) 4.916 3.513 ( 3.977 -0.437 -4.565) 6.070 3.713 ( -3.976 2.624 -2.243) 5.265 3.732 ( 1.766 -0.612 -5.707) 6.006 3.910 ( 0.284 -7.046 3.367) 7.814 4.109 ( -0.865 -9.867 3.959) 10.666 4.337 ( -3.440 -3.393 3.324) 5.865 4.507 ( 0.660 2.896 1.102) 3.168 4.572 ( -0.223 -5.034 -3.185) 5.961 4.675 ( -4.162 -4.123 4.896) 7.635 4.745 ( -1.109 -2.990 -4.464) 5.486 4.895 ( -1.939 -0.329 3.121) 3.689 5.061 ( -2.939 5.532 -4.020) 7.443 5.224 ( -5.864 7.484 2.662) 9.873 5.307 ( 8.701 0.198 2.718) 9.118 5.365 ( -0.780 0.853 11.753) 11.810 5.435 ( 0.183 4.996 -3.326) 6.005 5.528 ( -5.198 3.117 -2.346) 6.499 5.626 ( 5.182 4.058 4.869) 8.187 5.713 ( -2.924 7.795 2.242) 8.622 5.828 ( 2.181 1.037 -0.331) 2.437 5.987 ( 2.228 -2.421 -1.969) 3.835 6.058 ( -3.078 -5.226 -10.628) 12.237 6.085 ( 3.121 2.146 -0.112) 3.790 6.232 ( 1.993 -0.634 -0.457) 2.140 6.403 ( 0.162 1.553 -5.843) 6.048 6.518 ( 3.996 -6.173 -3.542) 8.162 6.594 ( 5.758 1.018 -3.691) 6.914 6.715 ( -3.358 0.080 -0.949) 3.490 6.813 ( 0.710 0.519 -3.505) 3.614 6.926 ( -0.253 -5.293 4.275) 6.808 7.007 ( 2.228 0.651 -6.854) 7.236 7.089 ( -0.089 1.009 -1.342) 1.682 7.133 ( 1.643 0.349 0.947) 1.928 7.249 ( -4.480 1.992 8.658) 9.950 7.433 ( 0.300 -5.478 4.635) 7.182 7.541 ( -7.275 3.640 -10.812) 13.530 7.771 ( 2.850 -8.123 -0.496) 8.623 7.849 ( 0.616 -1.910 2.036) 2.858 7.987 ( 0.487 -1.193 1.542) 2.009 8.033 ( -6.354 -3.099 1.208) 7.172 8.132 ( -0.151 -4.376 8.249) 9.339 8.280 ( -8.088 7.865 -3.127) 11.707 8.571 ( 3.061 -3.729 1.067) 4.941 8.705 ( 1.548 -0.461 1.552) 2.240 8.790 ( -4.629 3.322 -2.039) 6.052 8.837 ( 1.391 2.679 -6.888) 7.520 9.005 ( 1.160 4.156 -5.514) 7.002 9.152 ( 1.885 -1.122 3.031) 3.742 9.273 ( -1.047 7.940 -1.380) 8.127 9.373 ( -9.053 0.176 5.302) 10.493 9.614 ( 11.408 -5.961 -0.685) 12.890 9.799 ( 6.687 -4.531 -1.152) 8.159 9.950 ( -4.427 5.056 4.592) 8.140 10.108 ( -2.779 2.481 -4.131) 5.563 10.185 ( 1.205 2.501 3.774) 4.685 10.344 ( 4.333 -4.406 6.867) 9.238 10.514 ( -4.448 1.296 -4.176) 6.238 10.636 ( 3.450 -2.171 4.333) 5.949 10.719 ( 6.923 -6.647 -4.465) 10.585 10.786 ( 5.013 -12.791 0.655) 13.754 10.966 ( 0.767 -10.483 -9.635) 14.259 11.142 ( -3.315 -0.778 -5.156) 6.178 11.271 ( 5.038 7.233 1.754) 8.987 11.345 ( 1.797 0.607 2.910) 3.474 11.552 ( -8.716 -2.823 5.454) 10.662 11.689 ( 4.381 -0.385 2.877) 5.256 11.949 ( -5.893 1.773 6.876) 9.228 12.334 ( -1.274 -9.276 -1.170) 9.436 12.565 ( 2.415 2.411 -2.284) 4.107 12.782 ( -3.960 -0.444 -2.548) 4.730 12.888 ( -5.652 -1.703 -12.378) 13.714 13.032 ( -3.611 -3.483 3.123) 5.910 13.164 ( 3.654 -3.689 6.732) 8.502 13.340 ( 2.269 -1.733 7.171) 7.719 13.411 ( -0.392 7.266 -3.670) 8.150 13.576 ( 7.758 -4.894 13.160) 16.041 13.999 ( -2.783 -4.496 6.490) 8.371 14.114 ( -2.160 0.807 5.700) 6.148 14.403 ( 2.929 6.163 -10.717) 12.705 14.517 ( 0.749 -0.738 2.842) 3.031 14.679 ( -4.135 0.810 -3.901) 5.742 14.734 ( -1.777 1.728 -6.997) 7.423 15.056 ( 11.364 -1.059 0.597) 11.429 15.269 ( 2.973 -5.363 -1.493) 6.311 15.386 ( -2.550 2.300 3.258) 4.733 15.519 ( -5.688 2.442 -2.141) 6.550 15.645 ( 9.540 0.945 0.502) 9.599 15.748 ( 5.810 -2.048 3.082) 6.888 15.953 ( -4.355 -1.403 1.845) 4.933 16.238 ( -4.887 0.803 -3.568) 6.105 16.544 ( 2.516 10.319 6.700) 12.558 17.198 ( 11.940 2.558 0.340) 12.216 17.214 ( -22.391 19.823 -17.551) 34.675 17.617 ( 1.884 0.536 -4.409) 4.825 20.543 ( 1.405 3.560 -0.452) 3.854 20.733 ( -4.038 2.026 -5.622) 7.212 20.852 ( 0.363 8.958 -5.859) 10.710 20.992 ( 0.133 -1.030 0.324) 1.088 23.613 ( 0.920 0.447 0.980) 1.417 23.656 ( -0.175 1.960 0.111) 1.971 23.722 ( 0.254 1.527 0.905) 1.793 23.883 ( -0.348 -1.842 2.027) 2.761 23.956 ( 0.354 0.833 0.186) 0.924 24.120 ( 1.510 0.405 -2.324) 2.801 24.273 ( -0.346 -4.663 2.006) 5.088 24.469 ( -3.886 -12.244 8.298) 15.292 24.501 ( 0.464 1.710 1.462) 2.297 24.815 ( 0.122 -3.311 5.558) 6.470 24.932 ( -9.678 1.578 -1.736) 9.958 25.088 ( 1.651 -2.557 -1.210) 3.275 25.552 ( 0.333 -2.583 0.326) 2.624 25.604 ( 4.714 -2.402 -0.645) 5.330 25.665 ( 0.985 -2.176 1.400) 2.768 25.751 ( -0.180 -5.055 2.095) 5.475 25.840 ( -0.372 1.538 2.966) 3.362 25.980 ( -0.538 -0.077 6.672) 6.694 26.339 ( 6.404 -11.615 6.333) 14.697 26.521 ( -0.766 -1.940 -1.502) 2.570 26.772 ( 0.826 1.795 8.404) 8.633 27.597 ( -0.169 -6.515 -11.006) 12.791 28.140 ( 0.689 11.442 -1.610) 11.576 28.407 ( 0.559 0.797 -3.896) 4.016 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 21.428 10.250 25.408) 34.782 1.411 ( 10.005 12.711 30.832) 34.818 2.418 ( 11.358 6.753 8.368) 15.640 2.562 ( -5.181 0.445 13.801) 14.748 2.644 ( 9.739 8.793 -5.121) 14.085 2.797 ( 0.931 6.568 10.610) 12.513 2.974 ( 2.652 0.950 -8.172) 8.644 3.050 ( 1.268 -2.046 2.277) 3.314 3.161 ( 5.039 -3.380 -0.909) 6.136 3.277 ( 3.375 -2.830 -4.063) 5.992 3.541 ( 2.496 4.721 -2.409) 5.859 3.641 ( -3.221 0.388 1.164) 3.447 3.730 ( -0.169 2.074 -4.311) 4.787 3.916 ( -1.215 -9.277 3.330) 9.931 4.081 ( -3.177 -10.501 -0.182) 10.973 4.191 ( -10.556 -3.094 -1.957) 11.173 4.437 ( -9.980 3.537 2.348) 10.846 4.506 ( -4.834 -2.561 -1.931) 5.801 4.573 ( -7.412 -4.493 2.552) 9.035 4.671 ( -3.555 -0.489 -5.519) 6.583 4.746 ( -8.567 2.599 5.736) 10.633 4.981 ( -9.295 -1.256 -2.920) 9.824 5.050 ( -14.066 9.964 2.915) 17.482 5.314 ( -6.525 -5.553 0.815) 8.606 5.410 ( -1.854 6.996 3.523) 8.049 5.478 ( 3.035 6.125 3.542) 7.699 5.583 ( 8.408 -3.511 4.876) 10.334 5.628 ( -5.226 8.304 -0.239) 9.814 5.731 ( -2.647 -0.584 -6.700) 7.227 5.831 ( 8.534 2.049 2.829) 9.221 5.992 ( 1.802 -4.148 -6.950) 8.292 6.144 ( 9.666 2.184 -1.686) 10.052 6.234 ( 9.429 -0.084 -1.020) 9.484 6.323 ( 5.666 -2.488 0.897) 6.253 6.370 ( 2.356 -1.400 -2.913) 4.000 6.504 ( -0.626 1.870 -8.863) 9.079 6.633 ( -0.746 4.713 -3.829) 6.118 6.658 ( 0.108 -4.696 2.473) 5.308 6.777 ( -0.862 -0.899 -2.926) 3.180 6.916 ( -2.043 5.599 -0.189) 5.963 6.961 ( -3.835 -1.327 -3.229) 5.186 7.105 ( 1.478 0.980 -3.836) 4.227 7.144 ( -1.167 1.101 4.354) 4.640 7.233 ( 1.214 4.264 3.667) 5.754 7.344 ( -4.830 4.964 -7.935) 10.532 7.528 ( 5.825 -5.384 4.913) 9.331 7.767 ( -8.617 -7.065 2.990) 11.537 7.818 ( -1.963 -4.007 0.722) 4.520 7.905 ( -4.075 2.665 1.915) 5.232 7.974 ( -1.929 -3.680 2.894) 5.063 8.155 ( -2.805 -0.013 6.231) 6.834 8.242 ( 3.481 3.787 3.387) 6.159 8.594 ( -3.547 -3.464 -10.566) 11.671 8.663 ( -3.535 3.067 -2.676) 5.391 8.835 ( 10.076 -6.760 4.583) 12.970 8.929 ( -4.789 4.081 1.188) 6.403 8.937 ( 2.924 5.107 2.386) 6.350 9.106 ( -4.542 1.865 2.103) 5.342 9.339 ( 9.033 0.771 -3.232) 9.624 9.427 ( 5.483 -1.288 8.106) 9.870 9.686 ( -1.577 -12.140 -3.996) 12.878 9.905 ( 0.623 3.147 2.015) 3.788 9.943 ( 10.700 -13.046 -8.419) 18.857 10.077 ( -1.454 2.077 1.481) 2.936 10.244 ( 2.984 3.049 0.733) 4.329 10.294 ( -7.886 -0.578 -4.755) 9.227 10.494 ( 5.081 -3.474 4.362) 7.544 10.655 ( -1.004 -3.080 -4.524) 5.564 10.777 ( -4.962 -4.855 -3.829) 7.928 10.878 ( 7.147 -8.678 -5.694) 12.602 11.040 ( -3.311 -0.968 -7.425) 8.187 11.080 ( 13.169 -2.761 -0.360) 13.460 11.250 ( -2.753 3.493 -2.408) 5.057 11.432 ( -3.908 1.601 5.426) 6.875 11.524 ( 6.938 1.773 4.713) 8.573 11.757 ( 0.105 0.974 3.412) 3.550 11.907 ( -0.867 -2.744 4.140) 5.042 12.287 ( -5.213 -4.113 1.798) 6.880 12.596 ( 2.143 1.004 -1.482) 2.792 12.667 ( -1.828 -2.996 -4.728) 5.888 12.737 ( -5.011 8.635 -1.519) 10.099 12.982 ( -5.961 -2.702 3.844) 7.590 13.177 ( -2.066 3.745 3.110) 5.288 13.316 ( -2.745 13.213 -9.711) 16.626 13.516 ( 5.747 -7.961 7.424) 12.310 13.798 ( 6.902 -7.634 10.664) 14.821 13.932 ( -7.315 -2.700 5.771) 9.701 14.089 ( -3.598 -0.063 3.943) 5.338 14.271 ( -5.756 3.623 -5.704) 8.877 14.537 ( 3.225 2.000 0.063) 3.795 14.612 ( -1.339 -1.510 -0.982) 2.245 14.738 ( 2.167 1.254 -5.361) 5.917 15.209 ( 3.752 -5.085 -0.090) 6.320 15.311 ( -3.687 -1.632 -0.690) 4.091 15.346 ( 4.385 -2.380 -0.521) 5.017 15.495 ( 2.375 0.313 -1.596) 2.878 15.794 ( 2.896 -1.701 -0.078) 3.359 15.875 ( 2.438 -3.343 -2.769) 4.979 15.933 ( 0.797 -1.312 8.730) 8.864 16.193 ( 2.993 -3.146 -3.632) 5.661 16.553 ( -3.164 14.862 7.369) 16.888 16.937 ( -2.561 18.150 -5.881) 19.250 17.422 ( 9.576 -6.125 -6.369) 13.030 17.684 ( 10.972 3.263 -9.183) 14.675 20.576 ( 3.289 3.309 -0.098) 4.667 20.708 ( 1.272 1.668 2.376) 3.169 20.901 ( 9.839 3.849 -14.150) 17.660 21.139 ( 12.023 -3.526 -2.052) 12.696 23.640 ( 1.408 0.518 0.304) 1.530 23.672 ( 1.509 0.714 1.254) 2.088 23.737 ( 0.631 1.256 1.391) 1.977 23.884 ( -0.725 -1.787 1.273) 2.311 23.977 ( 2.156 1.062 -1.084) 2.637 24.138 ( 1.366 0.505 -0.535) 1.552 24.281 ( -0.815 -4.460 2.686) 5.270 24.381 ( -7.628 -8.633 6.002) 12.990 24.547 ( -0.238 4.051 6.535) 7.692 24.763 ( -2.675 4.346 -1.382) 5.287 24.869 ( 0.256 -1.023 3.546) 3.699 25.083 ( -0.963 -0.819 -4.618) 4.788 25.525 ( -1.837 -0.582 -1.167) 2.252 25.648 ( -0.767 -2.747 0.132) 2.855 25.719 ( 0.376 -1.291 0.620) 1.480 25.728 ( 2.318 -3.967 -0.521) 4.624 25.872 ( 2.073 1.181 0.977) 2.578 26.023 ( 1.688 1.636 4.171) 4.788 26.450 ( 0.777 -8.754 0.955) 8.840 26.506 ( 1.181 -6.248 -0.389) 6.371 26.875 ( 3.642 -2.951 11.329) 12.260 27.508 ( -2.029 -4.963 -11.593) 12.772 28.076 ( -6.879 10.042 1.248) 12.236 28.254 ( -11.949 3.030 -0.029) 12.327 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 11.778 4.760 26.682) 29.552 1.906 ( 22.065 7.099 23.042) 32.684 2.463 ( -0.506 -1.558 -1.242) 2.056 2.554 ( -2.282 -0.538 8.044) 8.379 2.623 ( 2.477 4.781 -18.652) 19.414 2.970 ( 1.898 0.805 -14.511) 14.657 3.005 ( 5.971 -0.888 -9.181) 10.988 3.220 ( 6.971 -1.134 13.912) 15.602 3.303 ( 3.080 -2.240 -3.953) 5.489 3.374 ( 14.143 4.176 16.109) 21.839 3.548 ( -2.871 6.092 -3.137) 7.429 3.624 ( -2.035 -0.073 1.618) 2.601 3.714 ( 4.801 5.479 4.808) 8.729 3.877 ( -8.103 -5.093 2.599) 9.918 3.987 ( -1.327 -3.583 0.722) 3.888 4.081 ( -2.936 -3.890 2.648) 5.546 4.261 ( -6.126 1.251 -5.422) 8.276 4.353 ( -11.309 -2.429 1.856) 11.715 4.444 ( -6.414 -3.293 -0.749) 7.249 4.562 ( -10.940 2.375 3.640) 11.771 4.656 ( -1.784 0.229 -0.799) 1.968 4.800 ( -10.477 6.190 3.291) 12.606 4.865 ( -3.864 -2.806 4.081) 6.282 5.181 ( -7.683 -5.430 -0.894) 9.450 5.313 ( -5.808 9.960 -3.466) 12.039 5.514 ( -4.894 10.817 3.932) 12.506 5.519 ( -3.238 0.150 -0.786) 3.336 5.675 ( -2.260 3.057 -2.359) 4.474 5.781 ( 8.273 -6.918 6.109) 12.394 5.891 ( -1.418 -4.310 -2.226) 5.054 6.027 ( 3.769 -1.287 -3.381) 5.224 6.232 ( 1.909 -3.287 -8.115) 8.961 6.320 ( 1.272 4.743 -5.537) 7.401 6.338 ( 0.201 4.428 -3.040) 5.375 6.378 ( 2.686 1.153 -2.065) 3.579 6.587 ( -4.010 -6.551 -3.267) 8.347 6.636 ( 10.828 -4.620 0.626) 11.789 6.687 ( 4.290 -2.518 -2.387) 5.518 6.800 ( 0.742 -0.281 -3.014) 3.117 6.842 ( -2.640 5.337 0.667) 5.992 6.930 ( 4.335 5.145 4.559) 8.127 7.096 ( 1.065 0.501 -3.645) 3.831 7.158 ( 0.471 -0.750 -0.234) 0.916 7.225 ( 1.368 4.942 0.375) 5.141 7.400 ( 6.513 8.063 -0.245) 10.367 7.613 ( -7.321 -4.335 2.715) 8.931 7.639 ( -1.601 -3.776 3.592) 5.452 7.753 ( 2.490 2.664 -2.253) 4.286 7.930 ( 0.532 0.846 6.115) 6.196 7.976 ( -1.185 -3.462 4.859) 6.083 8.112 ( -3.880 0.498 2.043) 4.414 8.299 ( -1.605 2.467 5.028) 5.826 8.417 ( -6.623 0.211 -9.230) 11.362 8.581 ( -4.287 3.278 1.315) 5.554 8.749 ( -10.031 5.123 -4.100) 11.986 8.967 ( 0.482 0.731 0.581) 1.051 9.068 ( 3.422 -1.759 -1.793) 4.245 9.134 ( 9.378 -1.674 5.871) 11.191 9.529 ( 10.879 -4.740 0.738) 11.889 9.539 ( 1.422 -7.417 7.277) 10.488 9.634 ( -1.289 -12.457 -2.853) 12.844 9.889 ( -3.073 -4.359 -2.332) 5.821 10.032 ( -0.498 1.788 2.450) 3.074 10.092 ( 6.493 -10.477 -2.326) 12.544 10.225 ( -0.858 2.844 0.887) 3.100 10.285 ( 2.565 -0.369 -4.907) 5.549 10.519 ( -2.185 -5.108 -9.729) 11.204 10.646 ( 2.586 -1.428 -0.033) 2.954 10.673 ( -2.320 -2.357 0.682) 3.377 10.895 ( -4.268 -2.286 -1.601) 5.099 10.969 ( 3.837 -4.819 -9.683) 11.476 11.150 ( -2.395 6.929 -2.203) 7.656 11.326 ( 8.240 -1.996 -0.480) 8.492 11.433 ( 2.156 -1.823 4.977) 5.722 11.628 ( -1.090 5.668 1.219) 5.899 11.717 ( -0.322 -1.973 -7.276) 7.546 11.976 ( 3.991 -3.124 8.088) 9.544 12.224 ( -3.706 1.037 9.643) 10.382 12.484 ( -5.532 -5.002 -10.127) 12.577 12.685 ( -1.222 11.388 4.743) 12.397 12.839 ( 7.233 -1.434 4.213) 8.492 12.883 ( -2.587 3.607 9.947) 10.892 13.159 ( -2.232 7.361 -5.354) 9.372 13.197 ( -1.893 14.459 -3.496) 14.995 13.629 ( 3.389 -4.280 2.751) 6.114 13.855 ( -4.200 -3.184 4.207) 6.744 13.898 ( 0.154 -3.547 1.907) 4.030 14.050 ( -1.534 -2.828 1.265) 3.457 14.197 ( -1.454 1.828 -1.285) 2.666 14.526 ( -6.355 -3.015 -0.673) 7.066 14.643 ( 7.446 -0.355 -5.188) 9.082 14.747 ( 2.092 0.539 -3.383) 4.014 15.247 ( 0.507 -4.401 3.576) 5.693 15.264 ( -0.251 -1.612 -1.668) 2.333 15.410 ( 1.411 -1.148 2.267) 2.907 15.522 ( 0.928 -3.949 -1.798) 4.437 15.768 ( -7.595 0.501 -1.861) 7.835 15.842 ( 3.828 1.740 -1.151) 4.360 16.012 ( -0.656 -2.402 4.559) 5.195 16.217 ( -0.803 -3.950 2.160) 4.573 16.590 ( 2.745 13.500 6.076) 15.057 16.936 ( 5.085 13.500 -6.170) 15.690 17.493 ( 1.754 -6.262 0.224) 6.507 17.848 ( 12.138 -1.349 -12.017) 17.133 20.647 ( 3.793 2.420 -1.567) 4.764 20.773 ( 2.929 2.694 8.061) 8.990 21.004 ( 10.631 -1.040 -18.043) 20.967 21.345 ( 12.014 -5.903 -1.212) 13.440 23.665 ( 1.136 0.655 0.369) 1.362 23.715 ( 2.186 -0.585 0.807) 2.403 23.759 ( 0.646 0.913 1.878) 2.186 23.869 ( -1.243 -1.114 0.157) 1.677 24.013 ( 2.761 0.786 -3.686) 4.672 24.166 ( 1.402 0.550 1.300) 1.990 24.221 ( -7.863 -4.147 7.638) 11.720 24.347 ( 0.849 -3.006 1.073) 3.303 24.538 ( -2.897 5.759 1.316) 6.579 24.767 ( 1.532 1.474 2.067) 2.965 24.911 ( 1.708 -1.291 4.195) 4.710 25.024 ( -2.384 -0.670 -3.302) 4.128 25.487 ( -1.334 0.324 -1.283) 1.879 25.613 ( -2.822 -2.229 0.469) 3.627 25.683 ( -1.693 -0.721 -0.353) 1.873 25.811 ( 4.011 -3.548 -0.090) 5.356 25.915 ( 2.390 1.529 -0.501) 2.881 26.087 ( 2.894 0.477 3.303) 4.417 26.417 ( -1.999 -2.485 -2.608) 4.120 26.531 ( 0.725 -6.009 -0.285) 6.059 26.999 ( 3.117 -0.750 8.423) 9.012 27.414 ( -0.833 -2.744 -10.586) 10.967 27.939 ( -9.080 6.284 4.048) 11.761 28.051 ( -10.268 1.994 0.504) 10.472 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 2.694 1.766 18.829) 19.103 2.323 ( 7.206 10.631 15.372) 20.031 2.421 ( -1.900 -0.894 2.210) 3.049 2.594 ( 4.305 4.694 -11.891) 13.489 2.645 ( 7.869 -6.815 7.845) 13.035 2.885 ( -1.142 -1.061 -11.254) 11.362 3.126 ( 13.546 2.541 -11.848) 18.175 3.244 ( -3.979 0.590 1.728) 4.377 3.314 ( -0.956 -1.912 -8.476) 8.742 3.436 ( -5.466 5.107 0.134) 7.482 3.481 ( -6.661 -2.808 -1.654) 7.415 3.673 ( 1.977 2.015 2.623) 3.854 3.717 ( -4.280 1.564 0.325) 4.568 3.837 ( 3.817 -6.502 1.395) 7.668 3.970 ( -4.929 1.242 -2.476) 5.654 4.166 ( 2.629 -3.242 13.598) 14.224 4.193 ( 2.061 3.156 -2.626) 4.594 4.220 ( -4.475 -1.417 -0.731) 4.751 4.360 ( -9.486 5.090 7.208) 12.956 4.437 ( 3.841 4.048 6.670) 8.696 4.590 ( -4.049 -3.554 -1.736) 5.660 4.746 ( -1.122 0.655 10.853) 10.931 4.890 ( 1.552 -8.225 4.190) 9.360 5.047 ( -6.708 -3.575 1.403) 7.730 5.185 ( -5.045 9.499 -5.888) 12.262 5.430 ( -5.881 5.893 0.714) 8.356 5.486 ( 0.485 7.612 5.628) 9.479 5.624 ( -0.449 3.535 -3.699) 5.137 5.836 ( -1.661 -4.032 -0.993) 4.473 5.939 ( 4.219 -8.190 3.237) 9.765 5.998 ( -1.972 -1.044 -10.350) 10.588 6.173 ( 1.068 -0.821 -0.752) 1.542 6.296 ( -5.434 3.623 1.661) 6.739 6.334 ( -1.971 -1.261 -2.924) 3.745 6.408 ( 4.415 -0.450 -6.092) 7.537 6.555 ( 1.581 -7.131 0.457) 7.318 6.661 ( -0.186 -2.319 -9.735) 10.009 6.721 ( 1.588 -6.001 4.609) 7.732 6.772 ( 1.404 -2.680 -3.097) 4.330 6.999 ( 4.283 6.928 3.687) 8.940 7.038 ( 5.738 5.835 1.901) 8.402 7.112 ( 2.965 -2.983 -4.811) 6.391 7.176 ( 3.193 5.246 -5.827) 8.466 7.262 ( 0.269 1.758 3.300) 3.749 7.421 ( -1.835 4.607 -3.214) 5.909 7.573 ( 2.680 4.368 0.739) 5.178 7.629 ( -0.634 -2.459 3.985) 4.725 7.800 ( 0.336 5.136 -2.579) 5.757 7.936 ( -5.002 1.785 3.030) 6.115 8.016 ( 4.389 2.983 2.908) 6.051 8.043 ( -3.867 -4.862 0.732) 6.255 8.230 ( -5.783 2.713 -1.552) 6.574 8.333 ( -1.108 2.400 7.248) 7.715 8.529 ( -5.185 9.979 -7.818) 13.696 8.595 ( -0.975 0.047 8.703) 8.757 8.935 ( -2.341 1.727 -1.210) 3.151 9.111 ( 3.196 -3.846 -2.285) 5.498 9.328 ( 6.804 -5.565 4.128) 9.711 9.521 ( -4.212 -10.076 -5.506) 12.230 9.574 ( -2.009 -10.274 1.936) 10.646 9.711 ( 4.781 -4.586 1.782) 6.861 9.857 ( 0.000 -7.712 -0.343) 7.720 9.998 ( -3.232 -1.528 -6.611) 7.516 10.128 ( -1.502 4.662 -0.682) 4.945 10.211 ( -3.659 -5.659 6.876) 9.628 10.344 ( 9.682 -7.705 -5.601) 13.582 10.437 ( 0.164 3.145 -7.313) 7.963 10.675 ( 3.822 -1.869 1.663) 4.568 10.718 ( 0.954 1.024 2.204) 2.610 10.813 ( -3.682 0.327 1.380) 3.946 11.005 ( 5.976 -7.418 -10.440) 14.133 11.137 ( 1.241 1.353 4.337) 4.710 11.402 ( -0.207 0.578 -0.366) 0.714 11.461 ( -3.969 -1.852 2.703) 5.147 11.586 ( 2.065 -4.255 0.924) 4.819 11.688 ( 1.603 8.499 -16.646) 18.759 12.108 ( 2.685 -5.726 12.801) 14.278 12.249 ( -0.692 1.400 10.839) 10.951 12.344 ( -2.994 -0.269 -7.636) 8.206 12.712 ( -1.009 13.265 8.538) 15.807 12.786 ( -4.795 -3.603 6.914) 9.153 12.978 ( -1.138 8.296 -6.501) 10.602 13.160 ( 4.051 -1.547 -3.187) 5.382 13.262 ( 8.070 16.778 12.075) 22.190 13.664 ( -0.067 -2.417 -1.703) 2.957 13.788 ( -5.938 -5.391 1.988) 8.263 13.886 ( 1.121 -0.309 -3.457) 3.647 14.047 ( 0.145 -2.499 0.767) 2.618 14.175 ( -0.820 -0.651 -1.916) 2.184 14.390 ( -6.551 -2.534 -1.400) 7.162 14.692 ( 2.187 0.165 -6.683) 7.034 14.797 ( 4.994 3.161 -7.174) 9.295 15.278 ( 1.311 -3.105 0.759) 3.454 15.289 ( 1.517 -6.418 6.056) 8.953 15.419 ( -1.507 1.131 2.248) 2.933 15.517 ( 0.635 -3.841 -1.785) 4.283 15.624 ( -6.532 -1.127 -1.728) 6.850 15.902 ( 0.037 1.924 2.983) 3.550 15.972 ( -3.830 0.507 2.648) 4.684 16.202 ( -0.060 -1.378 -1.953) 2.390 16.683 ( 2.454 11.322 6.233) 13.155 17.021 ( 6.897 10.302 -4.984) 13.361 17.504 ( -1.803 -5.354 4.492) 7.218 17.974 ( 8.973 -3.267 -10.111) 13.908 20.672 ( 0.586 2.644 -2.739) 3.852 20.895 ( 3.328 2.297 11.626) 12.309 21.054 ( 6.402 -2.667 -18.909) 20.141 21.574 ( 12.562 -8.391 3.700) 15.553 23.684 ( 0.561 0.551 0.917) 1.208 23.745 ( 0.532 -1.346 -0.538) 1.544 23.780 ( 0.428 0.472 2.487) 2.567 23.850 ( -0.329 0.510 -0.993) 1.164 24.014 ( -0.795 -0.122 -3.608) 3.697 24.121 ( -5.303 -1.534 5.067) 7.493 24.219 ( 2.074 1.177 0.748) 2.499 24.364 ( 0.054 -1.595 0.077) 1.598 24.486 ( -2.406 4.518 -0.144) 5.121 24.799 ( 0.659 -0.320 0.390) 0.830 24.963 ( 0.013 -1.250 5.285) 5.431 24.980 ( -0.436 -1.182 -0.242) 1.283 25.472 ( 0.319 0.658 -0.037) 0.732 25.568 ( -2.004 -1.655 0.694) 2.690 25.658 ( -0.882 -0.193 -0.369) 0.975 25.861 ( 1.666 -3.022 -0.531) 3.491 25.947 ( 1.558 0.823 -1.548) 2.345 26.147 ( 1.292 -2.181 2.117) 3.302 26.377 ( -0.340 -0.354 -1.867) 1.930 26.528 ( -0.327 -2.914 -1.478) 3.284 27.068 ( 0.422 4.850 3.347) 5.908 27.365 ( 1.499 0.294 -9.308) 9.432 27.818 ( -6.445 1.619 4.606) 8.086 27.904 ( -6.092 -0.799 1.186) 6.258 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -16.763 4.680 11.601) 20.916 2.320 ( -16.540 3.869 2.155) 17.123 2.408 ( 2.108 2.780 4.097) 5.381 2.615 ( 0.118 2.186 -4.248) 4.779 2.799 ( 1.778 -5.377 -1.149) 5.778 2.918 ( 10.285 4.694 2.659) 11.614 3.142 ( -4.489 5.927 -3.409) 8.179 3.220 ( -0.977 -5.014 -2.070) 5.511 3.301 ( 5.983 2.297 -4.339) 7.740 3.394 ( 6.072 2.508 -2.264) 6.949 3.453 ( 5.688 -0.831 -7.481) 9.435 3.645 ( -2.712 4.051 -2.199) 5.348 3.686 ( 0.675 -0.569 -1.779) 1.986 3.834 ( -4.414 -2.432 -1.777) 5.344 3.986 ( 2.599 -1.557 -0.399) 3.055 4.028 ( -9.785 1.356 -1.586) 10.005 4.210 ( -3.769 8.766 0.444) 9.552 4.247 ( 3.374 3.711 1.793) 5.327 4.338 ( 0.604 -1.324 7.680) 7.817 4.474 ( -4.116 -7.951 6.638) 11.146 4.567 ( -2.465 -2.066 11.152) 11.606 4.836 ( 1.113 1.930 10.149) 10.390 4.889 ( -2.191 -3.872 -0.340) 4.462 5.038 ( 6.194 -4.627 5.675) 9.591 5.105 ( -0.930 1.625 -1.853) 2.634 5.350 ( -2.000 11.425 2.169) 11.799 5.555 ( 3.885 -4.117 -0.761) 5.711 5.641 ( 1.284 1.165 -1.104) 2.055 5.832 ( -0.032 -2.201 0.272) 2.217 5.882 ( -2.660 -2.414 -1.466) 3.880 6.044 ( 4.285 -6.559 -0.792) 7.874 6.194 ( -0.492 2.836 -3.502) 4.533 6.228 ( -0.541 -3.636 -0.130) 3.679 6.305 ( 2.404 -2.699 3.423) 4.979 6.447 ( 2.929 -3.396 -8.413) 9.534 6.608 ( 1.966 -5.456 -9.726) 11.324 6.645 ( 5.585 -3.169 4.953) 8.109 6.735 ( -0.845 -1.315 0.596) 1.673 6.798 ( -0.006 -3.305 1.521) 3.638 6.983 ( -2.996 4.189 -1.718) 5.429 7.073 ( -2.268 2.358 1.337) 3.534 7.129 ( 0.281 2.317 -2.802) 3.647 7.212 ( 1.963 3.053 -3.111) 4.780 7.287 ( 2.186 6.463 0.019) 6.823 7.358 ( -4.327 7.671 -3.601) 9.515 7.582 ( -4.663 1.242 -2.607) 5.485 7.669 ( 4.139 5.357 1.469) 6.927 7.801 ( -0.487 2.916 -2.379) 3.795 7.817 ( -4.775 1.721 -1.756) 5.371 7.948 ( -1.718 -0.248 -2.490) 3.035 8.102 ( 0.473 1.164 0.501) 1.352 8.164 ( -1.557 -2.453 3.730) 4.728 8.335 ( -1.699 1.991 4.089) 4.855 8.534 ( 6.493 9.972 2.953) 12.260 8.700 ( 5.006 2.311 12.003) 13.209 8.906 ( 0.036 4.406 -0.202) 4.411 9.148 ( 1.877 -5.680 -1.788) 6.243 9.349 ( -3.553 -0.852 -4.521) 5.813 9.446 ( -5.327 -11.519 -0.573) 12.704 9.523 ( -3.813 -6.038 -0.272) 7.146 9.716 ( 1.592 -5.131 0.545) 5.400 9.826 ( -3.465 -9.793 -8.785) 13.604 9.935 ( 2.114 -0.489 -3.244) 3.903 10.141 ( -2.153 6.541 1.859) 7.133 10.168 ( -0.608 -9.492 5.027) 10.758 10.377 ( -1.418 3.851 -8.941) 9.838 10.499 ( 6.931 2.206 -3.178) 7.937 10.727 ( -0.823 1.186 3.957) 4.212 10.752 ( 0.825 -1.014 -0.724) 1.494 10.873 ( 9.991 -5.136 9.676) 14.826 11.055 ( 4.589 -6.734 -7.888) 11.342 11.197 ( 0.914 1.049 2.556) 2.910 11.307 ( -6.334 -1.249 2.839) 7.053 11.487 ( 1.809 -2.898 0.037) 3.417 11.539 ( -3.479 6.467 -8.572) 11.288 11.634 ( 0.778 -2.301 -9.569) 9.872 12.171 ( -4.329 -8.635 15.691) 18.426 12.273 ( -0.917 -1.764 2.517) 3.208 12.374 ( 6.491 3.908 4.811) 8.975 12.695 ( -2.761 7.915 -0.761) 8.417 12.791 ( -0.298 -1.013 7.742) 7.813 12.950 ( 0.080 5.655 2.639) 6.241 13.162 ( -1.349 -1.593 -4.106) 4.606 13.460 ( 4.033 8.502 5.710) 11.006 13.596 ( -4.663 -7.195 -2.901) 9.051 13.725 ( -1.518 4.867 4.196) 6.602 13.908 ( 2.266 0.191 -1.574) 2.765 14.054 ( -0.158 0.517 0.229) 0.587 14.121 ( -1.492 -7.605 -6.357) 10.023 14.330 ( 0.275 2.318 1.148) 2.601 14.689 ( 1.901 1.740 -6.040) 6.567 14.782 ( -0.824 6.500 -11.707) 13.415 15.293 ( -1.081 -3.677 2.423) 4.534 15.335 ( -0.369 -8.020 2.045) 8.285 15.402 ( -1.678 0.641 1.451) 2.309 15.529 ( -1.079 -1.116 -2.011) 2.541 15.582 ( 5.857 -2.879 3.849) 7.577 15.845 ( -6.250 5.510 5.072) 9.754 15.943 ( -1.555 -0.625 -0.969) 1.936 16.216 ( 2.725 1.143 -3.428) 4.526 16.716 ( -2.987 8.591 5.465) 10.611 17.097 ( 3.333 9.412 -2.806) 10.371 17.492 ( -1.907 -5.191 4.946) 7.420 18.061 ( 6.347 -3.730 -7.595) 10.577 20.647 ( -1.428 2.843 -2.686) 4.163 20.992 ( -0.978 1.719 12.387) 12.544 21.030 ( 2.559 -2.772 -15.698) 16.145 21.824 ( 11.809 -11.985 4.009) 17.297 23.694 ( -0.540 0.326 1.828) 1.933 23.724 ( -1.369 -0.924 -2.465) 2.967 23.801 ( 0.280 0.596 1.491) 1.630 23.847 ( -0.494 2.432 1.699) 3.008 23.955 ( -3.288 -2.113 -0.181) 3.912 24.080 ( -1.610 1.443 0.708) 2.275 24.228 ( -1.364 -0.020 -1.437) 1.981 24.357 ( -0.396 -0.245 0.818) 0.941 24.459 ( -0.988 2.374 0.325) 2.592 24.787 ( -0.687 -1.858 -4.034) 4.494 24.958 ( -2.198 -1.056 4.188) 4.846 25.017 ( 2.429 -0.354 2.781) 3.710 25.496 ( 1.265 -0.447 1.998) 2.406 25.561 ( 0.663 -0.976 1.551) 1.949 25.647 ( -0.097 -0.006 -0.524) 0.533 25.864 ( -0.472 -4.280 -2.262) 4.864 25.948 ( -0.579 0.714 -1.239) 1.543 26.143 ( -2.090 -2.024 0.174) 2.915 26.395 ( 2.227 -0.270 0.369) 2.274 26.505 ( -0.839 -1.142 -2.801) 3.139 27.040 ( -4.637 8.101 -0.157) 9.335 27.363 ( 4.589 4.460 -9.002) 11.045 27.762 ( -3.778 -1.856 5.716) 7.099 27.869 ( 1.941 -2.475 1.683) 3.567 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -24.561 9.781 10.833) 28.571 1.908 ( -27.683 9.047 4.290) 29.438 2.423 ( -4.243 5.780 -0.255) 7.175 2.519 ( -6.987 1.742 -2.100) 7.501 2.794 ( -2.834 -0.219 1.880) 3.408 3.093 ( 1.574 -2.105 0.762) 2.737 3.129 ( 7.120 3.696 1.629) 8.186 3.211 ( 0.409 1.539 -7.168) 7.343 3.310 ( -0.859 -7.282 -2.423) 7.723 3.495 ( -3.095 2.340 -2.698) 4.726 3.554 ( 6.942 0.378 -2.221) 7.298 3.626 ( 8.705 5.264 -3.090) 10.632 3.681 ( -2.615 5.522 0.263) 6.116 3.776 ( 3.030 1.458 -0.439) 3.391 3.823 ( -7.643 1.427 -3.879) 8.689 3.998 ( -1.582 -1.145 -3.108) 3.670 4.146 ( 0.448 5.601 0.674) 5.659 4.303 ( 3.956 -0.080 -0.407) 3.978 4.426 ( 2.858 -1.105 3.803) 4.884 4.478 ( 0.214 -12.701 9.645) 15.949 4.658 ( 3.221 1.874 16.759) 17.168 4.834 ( -1.643 4.047 -1.990) 4.799 4.944 ( 5.883 1.337 7.148) 9.354 5.112 ( 1.737 -3.803 4.790) 6.358 5.252 ( 10.063 -2.525 5.145) 11.581 5.376 ( 1.243 7.513 3.273) 8.289 5.596 ( 0.455 1.491 -5.466) 5.684 5.652 ( 2.287 -12.810 -0.719) 13.032 5.752 ( -2.433 -3.929 -1.020) 4.732 5.940 ( 4.066 -0.040 4.073) 5.755 6.016 ( -1.986 -3.136 -6.448) 7.440 6.177 ( -0.058 -3.931 -4.854) 6.246 6.300 ( 4.318 -4.664 1.338) 6.495 6.349 ( 0.225 2.913 -4.072) 5.012 6.443 ( 0.693 -11.680 -2.413) 11.947 6.560 ( -0.187 0.296 -6.548) 6.557 6.679 ( -4.153 -0.888 -5.120) 6.652 6.766 ( -1.477 -4.851 1.663) 5.337 6.814 ( 1.162 -5.966 0.706) 6.119 6.946 ( -0.016 7.858 4.283) 8.949 7.028 ( -4.813 1.600 -0.559) 5.102 7.137 ( 2.731 3.731 1.399) 4.831 7.180 ( -3.634 4.981 -2.304) 6.582 7.273 ( 1.714 5.452 2.347) 6.178 7.313 ( 1.727 7.355 -2.775) 8.049 7.442 ( -6.520 6.189 -6.114) 10.872 7.642 ( -6.311 2.803 -2.155) 7.234 7.729 ( 1.476 -0.485 -0.866) 1.778 7.846 ( 5.634 1.707 -2.412) 6.362 8.012 ( 0.784 1.300 3.580) 3.889 8.077 ( -2.283 -5.964 2.684) 6.927 8.207 ( 4.390 -0.428 3.406) 5.573 8.361 ( 2.981 1.894 1.750) 3.941 8.678 ( 7.878 13.434 0.927) 15.601 8.850 ( 1.687 -0.959 3.390) 3.906 8.934 ( 2.694 5.515 3.755) 7.196 9.131 ( -4.999 -5.803 -0.502) 7.676 9.224 ( -6.074 -3.835 -5.616) 9.118 9.322 ( -3.157 3.247 8.158) 9.330 9.480 ( -2.252 -3.892 -1.380) 4.704 9.731 ( 0.887 -3.701 -11.564) 12.175 9.803 ( 2.888 -9.157 3.694) 10.287 9.919 ( -3.154 3.659 -1.538) 5.069 10.063 ( -2.991 1.643 -1.404) 3.690 10.212 ( 2.336 3.295 -4.533) 6.072 10.324 ( 0.122 -5.360 0.527) 5.387 10.579 ( 4.197 2.724 -2.815) 5.741 10.728 ( -2.179 -1.967 5.794) 6.495 10.768 ( -0.049 -2.112 0.276) 2.131 11.020 ( -1.658 -2.355 -14.335) 14.622 11.059 ( 1.681 -0.186 0.848) 1.892 11.190 ( -3.794 1.724 -2.643) 4.935 11.310 ( 9.469 -3.535 12.745) 16.266 11.454 ( -3.588 -1.983 -8.429) 9.373 11.497 ( -0.111 -3.151 1.138) 3.352 11.578 ( -1.214 -0.465 -6.493) 6.622 12.171 ( -4.549 -9.343 14.020) 17.451 12.288 ( -0.988 -2.417 6.899) 7.377 12.516 ( 3.485 0.250 3.565) 4.992 12.661 ( 2.519 4.342 -0.942) 5.107 12.793 ( -3.662 1.251 0.762) 3.944 13.001 ( 1.873 -4.245 7.724) 9.011 13.101 ( -0.812 -3.520 -0.192) 3.617 13.442 ( -3.566 -2.911 -8.689) 9.834 13.524 ( -2.833 -2.929 0.019) 4.075 13.750 ( -1.928 4.489 8.069) 9.433 13.914 ( -0.626 -0.550 -1.095) 1.376 14.041 ( -1.485 4.795 2.799) 5.747 14.130 ( 5.393 0.386 -2.282) 5.868 14.379 ( 3.738 3.005 0.227) 4.802 14.643 ( -4.422 10.517 -11.102) 15.919 14.711 ( 2.787 1.031 -6.794) 7.415 15.266 ( -2.522 -6.336 1.276) 6.937 15.333 ( 0.059 -0.503 -0.020) 0.507 15.358 ( -2.795 -5.637 -0.893) 6.355 15.542 ( 1.687 -0.588 2.153) 2.798 15.695 ( -1.678 3.354 5.489) 6.648 15.824 ( 3.718 -1.527 -0.647) 4.071 15.921 ( 3.179 4.490 -1.681) 5.753 16.218 ( -2.094 3.043 -0.667) 3.754 16.642 ( -7.580 5.787 4.112) 10.385 17.097 ( -1.942 8.283 -0.756) 8.542 17.510 ( 1.559 -4.079 2.660) 5.113 18.112 ( 3.469 -4.851 -6.573) 8.875 20.599 ( -2.204 2.990 -2.051) 4.243 20.962 ( -1.797 -2.866 -6.683) 7.490 21.009 ( -3.944 1.956 6.271) 7.662 22.003 ( 6.342 -17.023 -3.870) 18.574 23.667 ( -2.366 -0.447 -0.685) 2.503 23.703 ( -0.177 0.545 -0.137) 0.589 23.787 ( -1.612 4.037 -2.678) 5.106 23.844 ( -2.556 0.219 7.998) 8.400 23.941 ( 0.921 -2.582 3.790) 4.677 24.065 ( -0.626 2.160 2.042) 3.038 24.173 ( -3.320 -1.501 -0.485) 3.676 24.354 ( -0.713 -1.379 0.618) 1.671 24.446 ( -0.621 2.232 0.161) 2.322 24.738 ( -1.049 -2.673 -6.600) 7.197 24.938 ( -2.262 0.860 4.029) 4.700 25.097 ( 4.327 -0.278 3.141) 5.354 25.530 ( 1.071 -2.009 2.495) 3.377 25.599 ( 1.826 -0.945 2.044) 2.899 25.649 ( 0.648 -0.396 -0.693) 1.028 25.813 ( -2.884 -7.308 -5.855) 9.799 25.916 ( -2.766 1.820 1.371) 3.584 26.094 ( -3.082 0.185 0.151) 3.091 26.414 ( -1.293 -1.494 -2.594) 3.261 26.485 ( 1.232 -0.301 -1.239) 1.773 26.921 ( -7.212 7.436 -0.634) 10.378 27.440 ( 9.155 9.894 -8.152) 15.753 27.743 ( -1.328 -5.065 5.034) 7.263 27.969 ( 6.743 -0.175 2.403) 7.160 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -22.818 16.634 11.611) 30.531 1.471 ( -25.084 16.978 17.270) 34.867 2.097 ( -28.445 22.220 0.620) 36.100 2.441 ( -2.286 -2.409 4.109) 5.283 2.796 ( 1.483 0.693 5.184) 5.437 3.104 ( -2.697 -5.726 -1.098) 6.424 3.115 ( -4.259 -1.292 -2.575) 5.142 3.166 ( -5.278 -4.735 -0.834) 7.140 3.295 ( 2.748 1.666 -6.004) 6.810 3.375 ( -6.447 0.450 -0.450) 6.478 3.504 ( -7.556 3.252 -7.033) 10.822 3.662 ( 3.261 -1.177 -2.812) 4.464 3.816 ( 4.580 0.266 1.188) 4.739 3.872 ( 5.703 -0.584 4.096) 7.045 3.919 ( 19.681 3.593 0.445) 20.011 3.944 ( -1.573 1.390 -1.325) 2.482 4.238 ( 5.932 -1.228 1.493) 6.239 4.415 ( 8.544 -3.223 1.880) 9.323 4.480 ( 1.996 -4.923 1.613) 5.552 4.609 ( 9.811 -2.953 4.532) 11.203 4.746 ( -0.052 2.372 1.314) 2.712 4.889 ( 6.475 5.611 8.040) 11.749 5.060 ( 3.016 -1.206 3.723) 4.941 5.249 ( 6.233 1.662 10.675) 12.473 5.351 ( -4.559 0.024 -1.439) 4.781 5.412 ( 4.435 -0.839 3.119) 5.487 5.563 ( 0.401 1.806 -1.756) 2.551 5.657 ( -1.179 -1.544 1.567) 2.496 5.795 ( 3.655 -2.242 -1.853) 4.671 5.982 ( -1.014 -2.912 -4.871) 5.765 6.026 ( 2.229 1.963 2.598) 3.946 6.130 ( -0.624 -2.188 -3.317) 4.023 6.232 ( -3.288 -1.666 -7.859) 8.680 6.350 ( -2.627 -4.581 -1.621) 5.524 6.415 ( -7.855 -4.955 -3.704) 9.999 6.451 ( -2.091 -2.014 -1.670) 3.350 6.629 ( 1.093 -3.274 -3.920) 5.222 6.710 ( -2.703 -5.871 -3.778) 7.486 6.801 ( 1.136 -5.035 -1.674) 5.426 6.939 ( -0.857 2.458 -1.109) 2.830 6.964 ( -2.135 -0.099 1.832) 2.815 7.080 ( -4.019 5.600 -2.648) 7.384 7.167 ( -1.216 2.387 3.213) 4.183 7.280 ( -5.345 4.940 -2.863) 7.821 7.350 ( 6.047 4.939 -1.903) 8.036 7.530 ( 10.815 2.903 3.125) 11.626 7.617 ( 5.359 1.133 6.440) 8.454 7.766 ( 3.121 -1.118 -4.835) 5.862 7.916 ( 2.242 1.788 -2.987) 4.141 8.002 ( -1.211 1.088 7.686) 7.856 8.048 ( -3.140 -7.333 6.715) 10.427 8.284 ( -0.736 -0.665 5.778) 5.863 8.493 ( 10.564 6.434 -3.636) 12.892 8.731 ( -6.186 0.469 -6.767) 9.180 8.854 ( 7.529 10.188 -2.829) 12.980 8.967 ( -2.815 -3.783 1.237) 4.875 9.011 ( -5.065 -0.123 4.285) 6.635 9.142 ( -1.999 -1.102 -4.816) 5.329 9.400 ( -1.364 4.037 7.488) 8.616 9.446 ( 1.873 5.362 9.286) 10.885 9.678 ( -4.958 0.553 -1.493) 5.207 9.740 ( -1.258 4.212 -12.917) 13.644 9.958 ( 5.067 -1.981 1.904) 5.764 10.033 ( 0.143 0.308 -0.850) 0.915 10.234 ( 2.962 3.619 -1.640) 4.956 10.348 ( -0.539 -8.903 0.521) 8.934 10.591 ( -3.418 -2.991 -3.368) 5.654 10.682 ( -7.197 1.218 -0.757) 7.338 10.719 ( -2.597 -8.482 3.714) 9.616 10.907 ( 0.185 3.696 -10.950) 11.559 11.047 ( -0.844 -2.793 -0.831) 3.034 11.144 ( -1.041 -0.383 -6.333) 6.430 11.315 ( -4.114 -3.596 -8.238) 9.885 11.478 ( -3.284 2.525 -3.712) 5.563 11.514 ( 2.303 -2.831 -0.101) 3.651 11.574 ( 4.365 -6.217 13.507) 15.497 12.132 ( -7.994 -11.570 8.247) 16.303 12.315 ( 1.137 -1.315 4.156) 4.505 12.508 ( -0.976 0.937 -1.223) 1.824 12.722 ( -0.256 1.995 -3.727) 4.235 12.825 ( 8.863 -2.537 9.306) 13.100 13.077 ( 1.291 -3.831 6.438) 7.602 13.167 ( 3.799 -9.084 9.496) 13.679 13.279 ( -6.364 -11.143 -13.898) 18.917 13.467 ( -3.915 2.334 0.647) 4.604 13.675 ( -8.889 2.474 -0.124) 9.228 13.923 ( 1.063 1.881 3.068) 3.753 14.052 ( -0.041 5.948 6.650) 8.922 14.239 ( 5.863 6.762 0.745) 8.981 14.431 ( 2.167 3.016 -5.191) 6.382 14.538 ( 0.974 10.032 -4.947) 11.228 14.736 ( 3.353 2.599 -5.512) 6.955 15.225 ( -2.255 -5.804 -2.215) 6.609 15.288 ( -2.992 -5.556 -2.030) 6.629 15.352 ( 0.375 -1.035 2.665) 2.884 15.576 ( -1.080 3.221 4.905) 5.967 15.667 ( -0.316 2.097 -1.758) 2.755 15.796 ( -3.282 -1.194 -4.137) 5.414 16.082 ( 2.890 3.828 3.853) 6.153 16.167 ( 4.065 6.225 0.263) 7.439 16.511 ( -8.704 2.105 2.694) 9.351 17.044 ( -2.757 8.266 -0.186) 8.715 17.566 ( 3.143 -2.752 0.383) 4.195 18.087 ( -2.473 -7.575 -9.957) 12.753 20.552 ( -1.693 3.241 -1.225) 3.856 20.889 ( -4.249 -1.796 0.604) 4.653 20.943 ( -4.616 1.432 -0.008) 4.833 21.929 ( -8.977 -20.080 -21.616) 30.839 23.625 ( -1.709 0.093 -0.524) 1.790 23.696 ( -0.618 0.925 -0.431) 1.193 23.740 ( -1.588 4.306 -1.762) 4.916 23.854 ( -1.064 -1.652 6.533) 6.822 23.983 ( 0.153 0.945 0.694) 1.183 24.111 ( 0.455 -2.209 3.174) 3.894 24.144 ( 1.501 -4.671 14.991) 15.773 24.347 ( -0.739 -3.019 4.090) 5.137 24.441 ( 0.139 2.598 0.379) 2.629 24.686 ( -0.220 -2.353 -6.270) 6.701 24.929 ( -1.132 2.907 3.837) 4.945 25.197 ( 4.073 -2.191 3.509) 5.805 25.561 ( 0.775 -2.810 1.991) 3.530 25.629 ( -0.316 -1.912 0.032) 1.938 25.657 ( -0.381 -1.540 -1.873) 2.455 25.692 ( -4.189 -8.030 -6.550) 11.177 25.875 ( -3.258 2.119 4.339) 5.825 26.040 ( -3.291 1.211 1.043) 3.659 26.331 ( -4.156 0.584 -5.046) 6.563 26.516 ( 1.556 -1.283 0.145) 2.021 26.805 ( -5.406 5.974 1.724) 8.240 27.573 ( 9.639 8.988 -9.955) 16.516 27.799 ( 5.749 -0.049 6.012) 8.318 28.112 ( 7.204 2.388 2.400) 7.960 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -18.131 18.976 16.546) 31.026 1.218 ( -17.472 26.464 19.970) 37.476 1.704 ( -16.523 34.849 34.939) 52.040 2.462 ( 2.768 -3.026 0.255) 4.109 2.860 ( 1.242 -1.457 -0.996) 2.158 2.951 ( -9.937 -4.986 1.092) 11.171 3.022 ( -3.880 -0.831 -3.684) 5.415 3.096 ( -4.996 -6.992 2.823) 9.045 3.211 ( -2.586 -0.393 -5.031) 5.670 3.290 ( -4.851 0.894 -1.387) 5.124 3.454 ( 4.938 1.289 -7.392) 8.982 3.718 ( 4.212 -6.795 -3.419) 8.695 3.796 ( -3.503 2.479 -3.003) 5.238 3.889 ( -0.231 2.172 -0.523) 2.246 4.048 ( 4.130 -6.740 7.425) 10.845 4.309 ( 11.496 -1.466 2.805) 11.923 4.324 ( 9.962 -1.962 3.634) 10.784 4.524 ( 2.774 -2.333 1.601) 3.963 4.616 ( 9.576 -0.610 -0.462) 9.606 4.761 ( 1.964 -2.720 0.340) 3.372 4.810 ( 6.278 -2.770 1.592) 7.045 5.079 ( 10.915 2.201 -0.659) 11.154 5.105 ( -0.384 0.192 7.161) 7.174 5.256 ( -2.388 2.671 5.326) 6.419 5.371 ( 0.324 8.166 5.028) 9.595 5.477 ( 0.738 2.750 -2.716) 3.935 5.573 ( -1.334 3.322 -0.013) 3.580 5.651 ( -1.183 4.361 2.372) 5.103 5.708 ( -7.366 2.426 -0.543) 7.775 5.864 ( -4.075 3.484 -2.694) 6.000 6.021 ( -6.700 -1.738 -0.386) 6.933 6.106 ( -2.647 -6.121 -7.551) 10.074 6.149 ( -0.230 -0.345 -1.071) 1.148 6.306 ( 0.498 -7.105 2.667) 7.605 6.388 ( 3.556 -1.750 -2.306) 4.585 6.411 ( 0.123 0.362 -7.982) 7.992 6.559 ( 1.556 -3.345 -7.939) 8.754 6.735 ( 2.524 -2.781 0.462) 3.784 6.806 ( 0.312 -3.813 -3.982) 5.522 6.913 ( -0.250 -1.643 1.477) 2.223 6.991 ( 1.754 -0.065 -1.033) 2.037 7.043 ( 1.834 3.616 2.565) 4.798 7.153 ( -2.120 -2.728 -1.562) 3.792 7.224 ( -0.483 4.692 5.287) 7.085 7.421 ( 1.213 -1.872 1.106) 2.490 7.672 ( 2.004 -0.127 -0.088) 2.009 7.735 ( 4.642 0.875 -3.737) 6.023 7.766 ( 1.554 -3.927 -6.316) 7.598 7.942 ( 1.289 -3.486 5.832) 6.915 8.053 ( 0.596 -4.636 9.786) 10.845 8.155 ( 3.870 2.989 7.702) 9.123 8.238 ( -0.919 2.062 1.354) 2.633 8.553 ( -0.870 2.701 -3.230) 4.299 8.672 ( 2.680 2.956 -1.779) 4.368 8.877 ( -0.663 1.650 -0.577) 1.869 8.938 ( -1.579 -0.218 -10.646) 10.765 8.994 ( -0.663 0.505 3.968) 4.055 9.134 ( 4.556 5.995 -7.157) 10.389 9.324 ( -4.084 3.685 1.571) 5.721 9.496 ( -5.325 5.273 -2.523) 7.907 9.646 ( -9.627 -5.107 -3.037) 11.313 9.662 ( 5.498 6.341 8.858) 12.202 9.979 ( -3.732 5.864 4.619) 8.346 10.092 ( 3.998 -2.721 1.670) 5.116 10.231 ( -4.951 0.063 -2.094) 5.376 10.320 ( 0.229 3.372 2.561) 4.240 10.422 ( -2.395 -10.638 -5.204) 12.083 10.660 ( 0.473 -1.130 5.875) 6.001 10.682 ( -1.479 -10.421 -0.194) 10.527 10.829 ( -4.591 -4.897 -8.992) 11.221 11.020 ( -0.359 -6.852 -8.582) 10.987 11.127 ( 3.573 5.411 2.475) 6.941 11.229 ( -1.700 -3.804 -5.182) 6.649 11.379 ( -3.455 5.459 -3.434) 7.316 11.585 ( 4.780 -3.419 1.622) 6.097 11.648 ( -4.245 -4.078 9.315) 11.019 12.024 ( -7.021 -7.082 5.838) 11.556 12.352 ( 0.616 -6.734 0.622) 6.790 12.517 ( 2.519 1.150 -1.691) 3.244 12.760 ( 4.882 3.131 0.371) 5.811 13.017 ( 4.370 -5.385 9.891) 12.080 13.067 ( -5.052 -11.304 -14.317) 18.928 13.098 ( -3.726 -4.595 4.572) 7.476 13.302 ( 2.303 -2.131 6.286) 7.026 13.411 ( -1.286 1.949 4.547) 5.111 13.505 ( -6.489 7.063 -0.165) 9.593 13.970 ( 0.996 -0.404 5.942) 6.039 14.098 ( -0.121 2.063 7.357) 7.641 14.333 ( 7.035 9.696 -6.279) 13.525 14.453 ( 4.004 1.372 -1.614) 4.530 14.604 ( 6.626 6.160 -1.584) 9.185 14.768 ( 3.109 2.859 -2.976) 5.167 15.107 ( -8.537 -4.030 -5.516) 10.934 15.253 ( -0.040 -6.984 -0.914) 7.044 15.378 ( 0.001 2.421 4.476) 5.089 15.571 ( -0.813 6.417 2.791) 7.045 15.658 ( -0.983 3.642 -5.300) 6.506 15.691 ( -3.951 -3.546 -0.947) 5.393 16.027 ( -4.701 0.862 2.551) 5.417 16.365 ( -5.812 -6.672 0.163) 8.850 16.382 ( 8.874 13.541 4.154) 16.714 17.038 ( 3.624 9.869 -0.504) 10.526 17.609 ( 1.769 -1.696 -1.793) 3.037 17.820 ( -20.666 -5.779 -19.768) 29.176 20.530 ( -0.049 3.625 -0.694) 3.691 20.815 ( -5.772 3.383 5.627) 8.742 20.880 ( 0.355 -2.603 -6.592) 7.097 21.408 ( -29.128 -7.708 -26.980) 40.445 23.604 ( -0.507 0.498 0.537) 0.891 23.673 ( -1.156 2.234 -1.080) 2.737 23.719 ( -0.353 2.203 0.243) 2.244 23.873 ( -0.307 -1.869 3.855) 4.295 23.965 ( -1.136 0.973 -0.451) 1.563 24.110 ( 1.269 0.000 -3.041) 3.295 24.265 ( -0.003 -6.844 4.971) 8.458 24.429 ( 0.282 -6.939 12.586) 14.375 24.483 ( 3.109 -5.499 6.084) 8.770 24.705 ( 5.567 -2.532 4.012) 7.315 24.950 ( 1.789 3.531 3.462) 5.259 25.219 ( -7.012 -9.797 -0.159) 12.049 25.505 ( -1.699 -0.349 -2.771) 3.269 25.583 ( -0.085 -1.820 0.997) 2.077 25.644 ( 0.490 -2.558 0.547) 2.661 25.708 ( 2.028 -4.609 2.344) 5.554 25.850 ( -2.602 1.866 4.990) 5.928 25.989 ( -3.527 0.403 3.585) 5.045 26.259 ( -0.359 0.764 -0.881) 1.221 26.532 ( 0.265 -1.655 -0.537) 1.760 26.752 ( -2.420 4.514 4.519) 6.830 27.629 ( 3.384 -3.428 -10.128) 11.215 28.026 ( 13.264 12.935 0.217) 18.528 28.266 ( 9.364 3.171 2.632) 10.230 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 1.035 23.168 16.399) 28.403 1.723 ( -5.578 29.815 14.944) 33.814 2.292 ( 0.843 -14.883 -4.160) 15.476 2.649 ( 1.368 17.423 17.931) 25.039 2.742 ( -1.464 3.128 0.871) 3.562 2.804 ( 1.478 -0.158 8.645) 8.772 2.910 ( -1.156 2.977 5.644) 6.484 2.965 ( -1.670 -2.805 0.131) 3.267 3.164 ( -2.583 -5.868 -5.868) 8.691 3.237 ( 1.629 3.880 -2.389) 4.839 3.459 ( 7.329 -3.402 -4.520) 9.258 3.633 ( 7.145 -4.654 -3.295) 9.142 3.756 ( -7.177 0.509 0.507) 7.213 3.861 ( -2.900 -1.834 1.699) 3.829 3.964 ( -1.260 -0.533 0.563) 1.480 4.253 ( -4.662 -4.675 2.322) 6.999 4.463 ( 0.125 -3.102 2.691) 4.108 4.517 ( -2.088 -5.864 5.702) 8.442 4.649 ( -2.961 2.469 -5.160) 6.442 4.750 ( 1.262 1.973 0.932) 2.521 4.819 ( 2.547 -4.227 1.373) 5.122 5.062 ( -3.426 -6.394 -4.651) 8.617 5.332 ( -1.136 3.490 -1.106) 3.833 5.365 ( 6.723 3.725 2.755) 8.165 5.450 ( -3.471 5.946 6.544) 9.499 5.544 ( -8.833 4.183 -2.779) 10.161 5.628 ( 1.954 4.054 0.909) 4.591 5.682 ( -2.331 2.754 2.713) 4.514 5.794 ( 4.160 -1.197 -6.615) 7.905 5.863 ( 3.498 5.968 4.115) 8.048 5.910 ( -1.593 -2.662 -3.538) 4.706 6.047 ( 1.585 6.578 -0.076) 6.767 6.172 ( 3.727 0.339 2.286) 4.386 6.308 ( -5.879 3.988 -3.289) 7.829 6.379 ( 8.035 -4.264 3.179) 9.636 6.424 ( -0.211 1.144 -4.629) 4.773 6.572 ( -0.140 -3.181 1.107) 3.371 6.627 ( 5.555 -7.441 5.031) 10.561 6.768 ( 0.431 -2.465 -2.308) 3.405 6.834 ( 0.268 -3.244 4.021) 5.173 7.010 ( 1.971 -1.695 -3.954) 4.732 7.076 ( 3.301 -3.367 -1.815) 5.053 7.170 ( 0.547 4.064 4.511) 6.096 7.333 ( -2.051 -3.861 5.808) 7.270 7.365 ( 0.038 9.524 2.991) 9.983 7.510 ( -4.733 -4.412 -7.318) 9.769 7.658 ( 0.988 -6.372 2.354) 6.864 7.816 ( 0.838 3.443 -6.586) 7.479 7.964 ( -0.594 -2.070 -8.276) 8.551 7.972 ( -0.578 -8.793 6.710) 11.076 8.093 ( 1.512 4.668 4.427) 6.608 8.338 ( -1.225 -2.822 -0.131) 3.079 8.507 ( -5.348 -0.669 0.566) 5.419 8.597 ( -2.662 -4.600 0.600) 5.348 8.900 ( 2.036 3.135 3.605) 5.193 8.926 ( 0.699 3.642 -6.158) 7.189 9.079 ( 3.718 2.255 -1.006) 4.463 9.234 ( -7.697 8.932 -9.956) 15.432 9.282 ( -1.245 -4.546 -1.106) 4.842 9.461 ( -5.544 6.716 -5.950) 10.547 9.606 ( 3.626 3.792 -2.071) 5.640 9.704 ( -1.862 -4.489 -11.935) 12.887 10.026 ( -3.632 3.915 -2.382) 5.848 10.145 ( -2.007 -1.518 2.506) 3.552 10.235 ( -5.029 0.265 1.358) 5.215 10.286 ( 2.127 2.906 1.371) 3.854 10.502 ( -2.049 -1.159 -3.641) 4.336 10.549 ( 10.802 -7.971 -3.408) 13.851 10.594 ( 2.828 -6.347 -1.055) 7.028 10.624 ( 8.081 -7.607 2.334) 11.341 10.804 ( -1.296 0.263 0.617) 1.459 11.054 ( 0.489 -6.632 0.444) 6.665 11.409 ( 3.339 5.953 5.423) 8.717 11.425 ( 0.491 6.540 -2.880) 7.163 11.536 ( -6.502 0.006 1.450) 6.662 11.666 ( 6.070 -2.148 0.068) 6.439 11.968 ( -5.054 -0.250 6.766) 8.449 12.108 ( 0.636 -10.050 5.538) 11.493 12.594 ( 3.619 0.233 -5.268) 6.396 12.652 ( -2.856 -5.201 -8.134) 10.068 12.922 ( -2.236 0.716 5.100) 5.615 12.993 ( 1.655 0.274 8.050) 8.223 13.099 ( 1.569 -1.440 15.237) 15.385 13.368 ( 7.310 -6.464 13.647) 16.777 13.494 ( -3.171 4.656 1.903) 5.946 13.552 ( -2.171 4.338 0.185) 4.854 13.948 ( -1.242 -0.105 1.964) 2.326 14.087 ( -0.783 -3.698 1.443) 4.046 14.469 ( -0.970 3.095 -10.269) 10.769 14.575 ( 2.481 2.296 -4.923) 5.972 14.682 ( -4.743 1.208 -2.547) 5.518 14.764 ( 0.193 0.607 -5.780) 5.815 15.059 ( 2.835 1.449 2.223) 3.884 15.182 ( 3.731 -3.438 -0.350) 5.086 15.458 ( -4.711 3.327 -3.028) 6.514 15.563 ( -0.697 1.041 2.043) 2.397 15.635 ( 4.430 0.036 -8.988) 10.020 15.740 ( 1.297 -0.107 2.693) 2.991 15.951 ( -3.316 2.116 5.421) 6.698 16.177 ( -4.276 -5.601 -1.127) 7.137 16.827 ( 3.729 14.218 4.199) 15.287 17.182 ( 2.195 -2.765 3.255) 4.802 17.453 ( -8.134 5.991 -10.496) 14.568 17.614 ( 3.350 -1.444 -4.089) 5.480 20.622 ( 1.179 4.236 0.290) 4.406 20.762 ( -2.270 -0.273 -5.003) 5.501 20.927 ( 5.562 1.060 -0.487) 5.683 21.003 ( -5.560 0.492 -5.947) 8.156 23.634 ( 0.822 1.529 0.260) 1.756 23.684 ( -0.288 0.339 -0.038) 0.447 23.763 ( -0.055 2.377 -0.934) 2.554 23.851 ( -0.460 -1.369 0.781) 1.642 23.968 ( 0.323 0.829 2.077) 2.259 24.130 ( 0.022 -2.442 3.302) 4.106 24.152 ( 0.416 -3.546 3.275) 4.845 24.261 ( -1.471 -5.870 4.214) 7.374 24.574 ( 2.346 4.034 4.492) 6.478 24.743 ( 3.085 -3.812 5.616) 7.456 24.965 ( -5.541 1.687 -2.201) 6.197 25.042 ( 0.742 -2.034 -0.896) 2.343 25.522 ( 0.151 0.222 0.526) 0.591 25.580 ( 3.023 -0.237 -0.394) 3.058 25.619 ( 0.615 -2.532 0.941) 2.770 25.647 ( 1.516 -4.264 2.493) 5.167 25.873 ( -1.610 1.523 4.332) 4.866 25.939 ( -2.053 -2.189 7.572) 8.145 26.321 ( 1.374 3.936 -3.909) 5.715 26.472 ( -0.566 -2.820 -2.484) 3.801 26.895 ( 0.379 8.882 2.057) 9.125 27.377 ( -0.593 -12.807 -6.562) 14.403 28.300 ( 0.049 5.030 -1.458) 5.237 28.404 ( 0.412 -0.925 -2.197) 2.419 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 13.739 16.913 18.538) 28.609 1.788 ( 2.122 23.140 19.035) 30.038 2.311 ( 3.080 -11.468 -0.290) 11.878 2.599 ( -5.889 -5.040 2.065) 8.022 2.747 ( 0.224 2.428 -5.174) 5.720 2.919 ( 0.104 -3.486 -0.891) 3.600 2.962 ( 9.028 -0.939 -0.328) 9.083 3.096 ( 8.410 -2.426 -0.199) 8.755 3.174 ( 4.087 13.566 13.848) 19.812 3.271 ( 4.217 3.042 -3.866) 6.479 3.589 ( 7.180 0.647 2.066) 7.499 3.647 ( -3.893 0.900 0.985) 4.115 3.704 ( 1.812 -3.189 -1.537) 3.977 3.845 ( 0.203 1.702 3.559) 3.950 3.916 ( -2.744 -2.449 -1.045) 3.824 4.144 ( -7.199 -1.288 0.288) 7.319 4.402 ( -7.284 -3.891 2.075) 8.515 4.448 ( -7.135 -6.085 4.417) 10.365 4.546 ( -7.480 3.189 0.610) 8.154 4.708 ( -6.250 1.888 -7.922) 10.265 4.755 ( -5.977 -1.316 7.802) 9.916 4.961 ( -6.633 -2.292 -3.136) 7.686 5.236 ( -14.573 6.124 -2.545) 16.011 5.270 ( -10.015 2.970 -3.745) 11.097 5.448 ( 1.516 -4.237 6.346) 7.780 5.505 ( 2.014 0.306 1.542) 2.555 5.604 ( 2.205 2.433 0.820) 3.384 5.705 ( -0.160 1.405 6.700) 6.848 5.850 ( -1.079 6.764 -5.333) 8.681 5.892 ( -0.985 6.883 0.426) 6.966 6.033 ( 10.939 6.596 -5.776) 14.019 6.138 ( 3.950 -2.291 0.338) 4.579 6.176 ( 5.415 -3.574 0.557) 6.512 6.236 ( 0.400 -5.736 -1.221) 5.879 6.407 ( 0.420 3.046 -1.519) 3.430 6.490 ( 1.633 -1.172 1.037) 2.262 6.584 ( -0.573 -1.829 3.663) 4.134 6.645 ( -4.741 -3.823 -0.150) 6.092 6.754 ( 1.475 -0.933 -0.725) 1.890 6.927 ( 5.264 -3.984 5.690) 8.715 6.993 ( -0.915 0.900 -6.022) 6.158 7.123 ( 2.027 -1.588 -3.408) 4.271 7.168 ( -2.124 4.578 0.591) 5.082 7.360 ( -3.454 5.195 -3.155) 6.991 7.385 ( 3.500 -7.020 11.062) 13.561 7.480 ( 5.508 6.898 1.716) 8.993 7.628 ( -4.613 -3.730 0.365) 5.943 7.774 ( 0.279 2.760 -5.661) 6.304 7.877 ( -0.268 -2.285 -9.577) 9.850 8.015 ( -1.315 0.573 5.927) 6.098 8.138 ( -0.764 0.784 7.068) 7.152 8.305 ( -0.461 0.031 5.434) 5.453 8.508 ( 3.079 -3.180 -7.507) 8.715 8.649 ( 5.209 -7.869 3.041) 9.915 8.806 ( -4.963 8.603 -7.497) 12.444 8.956 ( 1.211 -0.193 0.750) 1.437 9.125 ( -2.302 3.557 -0.680) 4.291 9.132 ( -0.366 5.884 0.921) 5.967 9.315 ( 6.964 -3.706 -2.525) 8.283 9.367 ( -3.307 -2.592 -0.602) 4.245 9.526 ( -7.104 -3.192 -8.645) 11.635 9.687 ( 6.758 -10.069 -9.587) 15.459 9.942 ( -5.422 -1.022 -4.164) 6.912 10.123 ( -4.526 -9.741 2.150) 10.954 10.147 ( 0.075 6.836 2.615) 7.320 10.325 ( 2.581 2.249 -3.025) 4.569 10.512 ( 3.596 2.497 1.258) 4.555 10.543 ( 1.304 -5.608 -9.855) 11.413 10.682 ( 1.951 -9.584 -4.654) 10.831 10.736 ( 4.181 -4.442 -2.791) 6.708 10.974 ( 7.827 -0.130 2.506) 8.219 11.045 ( 1.449 -1.433 1.614) 2.600 11.361 ( -3.656 5.499 -3.521) 7.484 11.447 ( -2.966 0.898 0.929) 3.235 11.571 ( 9.945 2.589 4.642) 11.276 11.733 ( -0.363 -3.152 3.029) 4.386 11.900 ( -3.924 1.880 7.745) 8.884 12.167 ( 0.065 -7.846 5.428) 9.541 12.537 ( -3.811 -0.987 -6.084) 7.246 12.640 ( 3.752 -2.712 -3.745) 5.955 12.902 ( -2.254 6.430 8.424) 10.835 13.031 ( -3.043 5.014 8.305) 10.167 13.267 ( 5.801 1.031 14.101) 15.282 13.415 ( 1.013 4.855 -1.314) 5.131 13.526 ( 0.481 4.041 -4.691) 6.211 13.623 ( 3.323 -8.884 17.755) 20.130 13.937 ( 0.017 1.760 0.080) 1.762 14.083 ( -1.136 -1.933 1.593) 2.750 14.297 ( -9.368 1.940 -8.961) 13.108 14.543 ( -2.092 -4.763 -8.469) 9.939 14.606 ( -0.662 3.842 -1.701) 4.253 14.739 ( -0.209 -1.329 -4.216) 4.425 15.120 ( 2.224 -1.495 1.580) 3.111 15.230 ( 0.508 -4.544 0.743) 4.632 15.415 ( 3.205 6.412 -5.361) 8.951 15.549 ( -2.299 4.372 1.770) 5.247 15.737 ( 8.464 -5.613 -6.317) 11.960 15.781 ( 1.820 -4.004 0.822) 4.474 15.950 ( -1.700 2.186 6.513) 7.077 16.099 ( -1.502 -4.913 -1.187) 5.273 16.883 ( -0.502 14.613 6.383) 15.954 17.213 ( -1.121 4.588 4.414) 6.465 17.341 ( 2.295 2.735 -11.017) 11.581 17.675 ( 6.615 -4.065 -6.686) 10.246 20.658 ( 2.899 4.433 -0.167) 5.299 20.750 ( 3.363 1.685 -1.318) 3.985 20.950 ( 2.092 0.969 -6.280) 6.690 21.054 ( 8.449 -4.272 -2.513) 9.796 23.657 ( 1.430 1.124 0.190) 1.828 23.687 ( 0.446 0.427 0.685) 0.922 23.766 ( 0.633 1.540 -0.245) 1.683 23.847 ( -0.094 -1.876 -0.549) 1.957 23.995 ( 1.323 1.110 1.430) 2.242 24.152 ( -1.413 -4.938 6.378) 8.189 24.162 ( 0.102 -0.048 0.919) 0.926 24.261 ( 0.207 -3.595 1.689) 3.977 24.645 ( 1.327 5.047 6.809) 8.579 24.797 ( 0.105 -1.462 2.613) 2.996 24.876 ( -2.285 2.602 -0.755) 3.544 25.039 ( -0.460 -3.553 -3.550) 5.043 25.514 ( -1.005 0.076 0.074) 1.010 25.605 ( -1.013 -2.097 -0.495) 2.380 25.649 ( 2.825 -2.492 -0.301) 3.779 25.686 ( 1.433 -1.892 0.769) 2.495 25.897 ( 1.348 1.183 4.105) 4.480 25.988 ( 1.244 -3.707 10.286) 11.004 26.342 ( 3.005 0.550 -2.932) 4.235 26.442 ( -0.578 -2.524 -3.442) 4.307 26.945 ( 3.478 6.911 3.368) 8.438 27.332 ( 0.396 -10.418 -7.873) 13.065 28.225 ( -7.236 4.708 -1.017) 8.693 28.297 ( -9.952 0.809 -0.720) 10.010 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 6.349 11.543 20.308) 24.206 2.072 ( 18.048 9.498 16.889) 26.480 2.381 ( 1.346 -5.907 6.298) 8.739 2.521 ( -3.861 -5.539 5.008) 8.406 2.722 ( 3.267 4.881 -13.135) 14.388 2.900 ( 0.478 -3.668 -6.432) 7.420 3.097 ( 8.312 4.535 -14.772) 17.546 3.182 ( 3.740 -2.190 4.559) 6.290 3.307 ( 1.568 1.980 -2.889) 3.837 3.381 ( 10.120 -3.103 2.743) 10.935 3.599 ( -3.961 1.452 -4.059) 5.855 3.643 ( 0.621 2.228 6.044) 6.472 3.743 ( -0.808 -4.934 2.150) 5.442 3.888 ( -2.400 4.237 2.444) 5.449 3.946 ( 4.129 0.478 7.975) 8.993 4.039 ( -3.357 1.436 4.593) 5.867 4.265 ( -4.822 -0.047 -0.448) 4.843 4.362 ( -7.934 0.401 -2.496) 8.327 4.378 ( -6.711 -0.884 8.460) 10.835 4.573 ( -5.622 -2.375 -1.339) 6.249 4.679 ( -6.103 2.316 3.627) 7.468 4.807 ( -7.035 -2.159 -1.596) 7.530 4.947 ( -13.125 6.051 -2.367) 14.645 5.063 ( -10.735 -3.283 -0.589) 11.242 5.479 ( -1.221 -1.533 4.339) 4.760 5.546 ( -0.767 4.699 2.920) 5.585 5.670 ( 0.782 0.579 4.101) 4.214 5.737 ( -0.249 2.209 3.659) 4.281 5.768 ( -2.743 6.496 -4.601) 8.420 5.834 ( -3.849 5.894 -1.557) 7.210 6.029 ( -0.211 0.839 -3.843) 3.940 6.176 ( 1.858 -1.558 -3.320) 4.111 6.237 ( -0.001 -7.849 2.115) 8.129 6.363 ( -4.355 -5.311 -3.648) 7.776 6.444 ( -0.982 1.944 -1.420) 2.600 6.497 ( 9.865 -3.320 0.397) 10.416 6.568 ( 2.110 0.805 -0.169) 2.265 6.619 ( 4.827 -1.849 -4.322) 6.738 6.824 ( 0.897 3.238 -3.136) 4.597 6.950 ( 3.689 1.041 -1.098) 3.987 7.015 ( 1.362 1.921 4.402) 4.992 7.062 ( -0.460 -3.275 -6.286) 7.103 7.173 ( 0.419 3.417 0.104) 3.444 7.334 ( 0.260 5.248 -2.069) 5.647 7.446 ( -3.651 -4.899 3.064) 6.835 7.540 ( 2.956 -6.262 5.159) 8.635 7.686 ( 6.412 11.205 0.260) 12.912 7.770 ( 2.240 1.436 0.589) 2.725 7.853 ( 2.645 -2.863 -5.453) 6.703 8.039 ( 0.696 6.643 5.034) 8.364 8.148 ( -2.735 -0.111 7.416) 7.905 8.340 ( -1.303 -0.621 7.779) 7.912 8.465 ( 0.173 4.945 -15.019) 15.814 8.630 ( -3.960 2.060 -3.626) 5.751 8.796 ( 0.782 -0.892 0.794) 1.427 8.961 ( -0.678 -4.717 -0.867) 4.844 9.080 ( -2.377 3.383 0.238) 4.141 9.108 ( -1.224 1.319 -1.220) 2.174 9.360 ( 1.413 -9.674 3.022) 10.233 9.406 ( -1.656 -2.394 0.996) 3.076 9.475 ( 9.344 -4.057 2.187) 10.418 9.684 ( -3.628 -13.600 -10.325) 17.456 9.853 ( 2.018 -7.262 -1.270) 7.644 10.024 ( -7.739 -10.696 -0.582) 13.215 10.213 ( 2.367 8.156 4.352) 9.543 10.348 ( 2.845 2.512 -5.842) 6.967 10.549 ( 5.275 -1.719 -5.843) 8.057 10.612 ( 4.541 2.623 4.734) 7.065 10.652 ( -1.333 -1.386 -5.777) 6.089 10.769 ( 1.329 -4.941 -4.539) 6.840 10.899 ( -4.388 -2.651 -3.821) 6.394 11.133 ( -0.017 -8.196 -2.055) 8.449 11.368 ( 3.655 5.563 2.134) 6.990 11.428 ( 0.669 1.473 1.731) 2.369 11.667 ( -8.311 1.814 3.734) 9.290 11.764 ( 8.804 2.754 -1.243) 9.308 11.935 ( 1.740 -0.675 8.140) 8.351 12.183 ( -0.239 -6.633 2.744) 7.183 12.454 ( -1.303 3.247 -5.472) 6.495 12.691 ( 3.092 -5.629 -1.957) 6.714 12.963 ( 1.312 9.850 7.541) 12.475 13.012 ( -1.714 5.561 9.087) 10.791 13.358 ( -1.248 11.493 -0.495) 11.571 13.468 ( 0.820 3.763 -2.577) 4.634 13.535 ( 5.374 1.171 6.609) 8.599 13.713 ( -1.827 -5.938 9.351) 11.227 13.957 ( 1.285 6.180 -3.321) 7.133 14.011 ( -5.168 -0.076 0.028) 5.168 14.172 ( -1.536 -4.521 -1.914) 5.144 14.424 ( -4.446 -8.220 -7.492) 11.978 14.627 ( 3.811 0.022 -2.742) 4.694 14.722 ( 0.601 -2.737 -0.615) 2.869 15.164 ( 1.749 -2.033 1.771) 3.214 15.231 ( 0.224 -2.717 -1.636) 3.179 15.437 ( 0.343 4.684 -0.979) 4.798 15.522 ( -1.621 3.202 0.923) 3.706 15.726 ( -4.976 -4.218 -4.001) 7.652 15.824 ( 1.758 -5.194 1.025) 5.578 15.987 ( 2.251 1.731 3.796) 4.741 16.125 ( 2.706 -3.910 0.293) 4.764 16.911 ( -0.294 14.698 7.521) 16.513 17.226 ( 2.552 12.605 -1.711) 12.975 17.358 ( 2.374 -4.851 -2.624) 6.005 17.763 ( 7.769 -7.263 -8.888) 13.860 20.719 ( 3.904 4.471 -2.428) 6.413 20.840 ( 5.109 2.757 3.918) 7.004 20.973 ( 4.695 -0.965 -9.344) 10.502 21.195 ( 8.244 -8.145 0.252) 11.592 23.682 ( 1.073 0.960 0.305) 1.471 23.707 ( 1.111 -0.220 0.880) 1.435 23.779 ( 0.517 1.034 0.755) 1.381 23.841 ( 0.028 -1.655 -1.215) 2.053 24.023 ( 1.055 0.586 -0.028) 1.207 24.122 ( -4.298 -4.097 5.459) 8.066 24.202 ( 2.693 1.893 0.917) 3.417 24.293 ( 2.352 -2.368 0.338) 3.355 24.666 ( -2.463 6.309 1.698) 6.983 24.791 ( -0.064 0.517 -0.416) 0.667 24.887 ( 1.071 -0.543 4.412) 4.572 24.990 ( -2.525 -2.877 -2.457) 4.548 25.496 ( -0.776 0.679 -0.136) 1.041 25.571 ( -2.146 -1.980 -0.510) 2.964 25.663 ( 0.003 -0.799 -1.228) 1.465 25.731 ( 3.068 -3.670 -1.540) 5.026 25.950 ( 1.826 1.976 3.254) 4.223 26.066 ( 0.878 -2.721 8.100) 8.590 26.375 ( 1.503 -0.810 -2.766) 3.251 26.432 ( 1.975 -3.073 -2.480) 4.416 27.054 ( 5.939 5.088 3.994) 8.781 27.313 ( 2.840 -6.313 -7.698) 10.353 28.047 ( -11.356 3.715 0.159) 11.949 28.088 ( -12.228 1.254 0.651) 12.309 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 2.057 5.167 16.352) 17.272 2.348 ( -5.636 -4.438 3.745) 8.092 2.479 ( 11.892 1.358 15.333) 19.452 2.582 ( 5.478 2.190 8.014) 9.951 2.716 ( 2.428 6.332 -9.749) 11.876 2.882 ( 3.179 -0.866 -5.611) 6.507 3.149 ( -4.363 -3.000 4.263) 6.798 3.198 ( 9.312 2.340 -13.564) 16.618 3.332 ( 1.790 2.666 -6.206) 6.988 3.469 ( 0.059 2.011 -6.861) 7.150 3.546 ( -1.180 1.601 1.811) 2.690 3.694 ( 0.521 -3.005 -4.255) 5.235 3.737 ( -7.205 2.261 -0.067) 7.552 3.777 ( 3.074 2.819 7.654) 8.717 3.950 ( -7.432 -6.166 0.042) 9.657 4.032 ( -0.829 -3.549 6.133) 7.134 4.254 ( -1.234 4.657 2.489) 5.423 4.308 ( 3.805 4.886 6.231) 8.785 4.411 ( 2.188 -5.391 4.019) 7.071 4.449 ( -7.350 2.190 4.249) 8.768 4.580 ( -4.696 2.210 -5.363) 7.463 4.739 ( -0.165 -5.031 2.642) 5.685 4.785 ( -5.469 1.374 4.964) 7.513 4.904 ( -6.934 -6.586 4.673) 10.644 5.428 ( -8.580 4.063 -0.003) 9.493 5.476 ( -4.637 8.633 1.647) 9.937 5.652 ( -3.172 -3.757 -4.176) 6.451 5.728 ( -0.045 -2.712 -0.415) 2.743 5.770 ( 4.237 12.962 -2.953) 13.953 5.832 ( 1.423 0.300 6.421) 6.583 5.989 ( -2.998 1.510 -4.091) 5.292 6.119 ( -2.347 -3.932 1.693) 4.882 6.159 ( -8.744 -12.173 -2.998) 15.285 6.304 ( 0.656 -6.579 -6.274) 9.115 6.491 ( -3.569 5.143 -5.312) 8.210 6.531 ( 7.785 5.682 2.880) 10.059 6.573 ( 1.189 -1.018 -5.539) 5.756 6.743 ( -1.992 -0.010 0.609) 2.083 6.750 ( 5.288 4.402 -4.938) 8.469 7.025 ( 2.940 -3.465 -9.148) 10.215 7.078 ( 2.803 1.408 -0.354) 3.157 7.130 ( 2.646 -0.978 0.379) 2.846 7.249 ( 10.561 -0.006 7.242) 12.806 7.277 ( -1.235 2.200 2.836) 3.796 7.478 ( 1.822 1.991 2.183) 3.471 7.535 ( -2.979 -2.479 -2.154) 4.434 7.750 ( 2.610 1.022 -3.311) 4.339 7.822 ( -1.518 -4.285 -6.463) 7.902 7.881 ( 2.034 4.437 6.262) 7.939 8.068 ( -2.645 5.215 0.138) 5.849 8.145 ( 1.143 6.975 5.153) 8.747 8.356 ( -2.810 4.075 5.132) 7.130 8.390 ( 1.830 6.195 -7.631) 9.998 8.584 ( -1.461 0.709 1.056) 1.937 8.750 ( -0.517 9.226 -3.335) 9.824 8.922 ( -1.880 -6.024 0.341) 6.319 9.051 ( -1.572 -1.041 1.256) 2.266 9.154 ( 4.633 -7.834 4.199) 10.023 9.351 ( -0.356 -3.170 -0.001) 3.190 9.431 ( -3.975 -5.342 -4.508) 8.041 9.562 ( 1.080 -10.263 2.469) 10.611 9.662 ( 2.986 -8.383 5.875) 10.664 9.842 ( -3.718 -9.464 -5.210) 11.425 9.986 ( 5.742 -11.741 7.208) 14.925 10.225 ( -0.698 5.833 -3.763) 6.977 10.347 ( -0.275 3.667 -2.876) 4.668 10.600 ( 0.877 8.678 -3.324) 9.334 10.642 ( 3.430 -4.999 2.195) 6.447 10.718 ( 3.175 3.100 5.099) 6.760 10.759 ( 0.349 -4.702 -1.672) 5.003 10.843 ( 1.614 -5.827 -6.635) 8.977 11.123 ( 0.406 -5.952 1.204) 6.086 11.401 ( 0.690 0.767 -0.737) 1.267 11.476 ( -0.298 -3.507 0.620) 3.574 11.529 ( -6.350 8.067 3.980) 11.011 11.840 ( 1.544 1.583 -6.352) 6.726 12.016 ( 0.726 -1.472 9.337) 9.481 12.190 ( 1.109 -5.743 -2.982) 6.565 12.435 ( 2.235 8.026 -4.685) 9.558 12.720 ( 0.267 -2.931 2.746) 4.025 12.956 ( -2.706 6.286 2.126) 7.167 13.092 ( 1.734 0.628 2.407) 3.033 13.238 ( -5.689 11.922 -10.260) 16.726 13.494 ( 0.697 -0.125 -1.377) 1.548 13.635 ( -1.248 5.678 4.785) 7.529 13.731 ( 1.535 -1.939 7.675) 8.063 13.918 ( 2.190 1.375 -4.456) 5.152 14.025 ( -0.366 2.640 3.730) 4.585 14.083 ( -3.650 -5.729 -5.883) 8.986 14.363 ( -0.228 -1.290 0.916) 1.598 14.666 ( 1.946 -1.988 -2.207) 3.550 14.794 ( 5.878 -4.138 2.042) 7.473 15.189 ( -0.656 -2.489 1.394) 2.927 15.226 ( 0.629 -1.854 -1.556) 2.501 15.435 ( -0.273 -1.646 1.226) 2.070 15.482 ( -3.054 2.194 -0.031) 3.760 15.611 ( -4.102 1.087 -1.577) 4.527 15.862 ( 1.181 -6.254 2.105) 6.704 16.014 ( -1.577 4.482 3.214) 5.736 16.169 ( 2.680 -2.216 -1.663) 3.855 16.947 ( -1.022 12.754 7.007) 14.588 17.292 ( 6.304 14.600 -4.608) 16.557 17.367 ( -2.034 -7.043 3.769) 8.243 17.852 ( 7.672 -8.870 -8.904) 14.725 20.748 ( 1.308 4.646 -4.213) 6.406 20.951 ( 3.886 -1.110 -0.452) 4.067 21.000 ( 3.420 2.065 -2.909) 4.942 21.362 ( 8.544 -11.320 4.654) 14.927 23.699 ( 0.375 0.808 0.876) 1.249 23.725 ( 0.268 -0.643 0.002) 0.697 23.791 ( 0.121 0.640 1.774) 1.890 23.840 ( 0.681 -1.366 -1.028) 1.840 24.017 ( -2.406 0.741 1.247) 2.809 24.086 ( -1.413 -1.913 1.709) 2.928 24.255 ( 2.610 2.148 -1.245) 3.603 24.334 ( 1.676 -1.526 -0.171) 2.273 24.596 ( -3.805 5.947 -2.774) 7.586 24.780 ( -0.912 -1.879 -3.072) 3.715 24.935 ( 0.463 -1.214 5.398) 5.552 24.947 ( -0.991 -1.762 1.909) 2.780 25.490 ( 0.112 0.971 0.095) 0.982 25.535 ( -1.209 -1.392 0.025) 1.844 25.654 ( -0.069 0.067 -1.081) 1.085 25.760 ( 1.675 -5.469 -3.795) 6.864 25.990 ( 0.514 2.895 2.737) 4.017 26.105 ( -0.760 -2.168 5.266) 5.745 26.380 ( 1.318 0.714 -2.140) 2.612 26.462 ( 1.884 -3.174 -1.818) 4.115 27.183 ( 5.269 5.861 2.823) 8.372 27.353 ( 5.821 -1.732 -6.297) 8.749 27.851 ( -9.713 1.336 1.100) 9.866 27.886 ( -10.044 -0.800 1.216) 10.149 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -10.777 8.270 12.666) 18.573 2.266 ( -5.401 -1.859 3.939) 6.938 2.550 ( -7.252 -0.163 3.213) 7.934 2.663 ( -5.192 1.570 5.014) 7.387 2.745 ( 5.977 4.685 0.947) 7.653 3.015 ( 9.051 1.014 5.912) 10.858 3.139 ( 6.434 1.158 -4.686) 8.043 3.255 ( -4.773 7.151 -5.204) 10.050 3.349 ( 10.524 -3.194 -7.260) 13.178 3.401 ( -6.346 3.357 -2.881) 7.735 3.542 ( 4.327 6.466 -5.364) 9.451 3.622 ( 1.406 -4.314 -1.074) 4.663 3.730 ( 3.992 0.500 -3.004) 5.021 3.784 ( -7.947 -3.691 -3.631) 9.484 3.902 ( 0.246 -4.735 5.120) 6.978 4.013 ( -3.545 -1.438 6.411) 7.466 4.253 ( -3.906 0.917 6.312) 7.479 4.344 ( -4.517 4.176 4.964) 7.905 4.391 ( -1.717 5.130 -1.690) 5.667 4.460 ( -3.146 -1.101 0.780) 3.423 4.522 ( 6.430 0.709 5.225) 8.316 4.764 ( 1.812 -4.639 6.926) 8.531 4.843 ( 5.205 -2.803 6.939) 9.116 4.914 ( 3.683 -4.084 9.072) 10.608 5.247 ( -6.272 7.923 -6.594) 12.066 5.432 ( -1.741 -1.091 1.178) 2.368 5.551 ( -3.756 0.666 -5.446) 6.649 5.685 ( -0.752 1.072 -6.614) 6.742 5.831 ( -4.423 4.573 -1.740) 6.595 5.840 ( 0.529 -3.620 -3.899) 5.346 5.932 ( 0.291 -0.364 2.526) 2.568 6.048 ( -0.723 -11.846 -0.343) 11.873 6.133 ( 2.681 -4.458 -0.213) 5.206 6.271 ( 0.629 -3.948 -5.643) 6.916 6.396 ( -1.675 0.891 -6.193) 6.477 6.546 ( 0.357 -1.303 -8.709) 8.814 6.651 ( 2.031 1.059 0.078) 2.292 6.744 ( -1.480 -0.606 3.645) 3.980 6.813 ( 2.312 4.952 1.456) 5.656 7.023 ( 1.668 -3.699 -6.837) 7.950 7.100 ( 4.166 4.612 0.670) 6.251 7.135 ( -0.021 3.391 2.177) 4.029 7.307 ( -1.697 2.515 4.281) 5.246 7.410 ( -4.595 2.454 -2.141) 5.632 7.463 ( 0.376 4.642 -1.170) 4.802 7.570 ( 6.364 -4.521 7.502) 10.827 7.735 ( -0.873 -5.706 -5.585) 8.032 7.770 ( 1.107 0.269 -2.151) 2.434 7.859 ( -2.679 6.299 -4.951) 8.448 8.012 ( -3.268 3.410 -0.169) 4.726 8.207 ( 2.079 7.003 2.913) 7.864 8.228 ( -10.082 8.158 -3.674) 13.480 8.408 ( 1.507 5.905 0.527) 6.117 8.652 ( 6.793 -0.927 4.026) 7.951 8.812 ( 6.240 8.847 1.223) 10.895 8.934 ( 2.362 -5.211 2.328) 6.177 9.054 ( 0.155 -2.570 2.810) 3.811 9.196 ( -4.196 -6.672 -4.509) 9.080 9.323 ( 0.240 -3.390 1.627) 3.768 9.379 ( 0.416 -6.381 3.576) 7.326 9.550 ( -1.416 -7.330 0.579) 7.488 9.700 ( 1.094 -6.231 2.414) 6.771 9.886 ( 4.585 -3.908 9.242) 11.032 10.060 ( -1.859 2.147 -3.298) 4.352 10.221 ( 2.018 -1.210 -1.382) 2.728 10.343 ( 2.061 -3.168 -3.633) 5.242 10.617 ( 2.805 5.242 -3.388) 6.843 10.669 ( -2.458 -3.007 4.689) 6.089 10.755 ( -0.225 0.407 0.762) 0.892 10.823 ( 6.213 -0.467 8.305) 10.382 10.887 ( 4.422 -6.529 -1.684) 8.064 11.156 ( 0.142 -6.882 5.459) 8.785 11.356 ( -4.281 2.900 -1.677) 5.436 11.419 ( -1.143 -3.199 -3.717) 5.036 11.531 ( 0.020 4.333 2.657) 5.083 11.751 ( -4.551 3.484 -13.542) 14.705 12.049 ( -2.663 -1.812 9.805) 10.320 12.194 ( 0.929 -5.092 -3.074) 6.020 12.475 ( 3.849 6.284 -0.598) 7.393 12.750 ( -0.081 -0.946 7.200) 7.263 12.889 ( -3.128 1.964 -5.989) 7.036 13.055 ( -4.000 8.863 -11.761) 15.260 13.065 ( -7.025 -6.891 -4.493) 10.817 13.454 ( -2.333 -2.785 -6.373) 7.335 13.601 ( -2.845 2.894 -0.394) 4.077 13.783 ( -1.045 -0.399 6.592) 6.686 13.925 ( -2.312 -4.394 -4.813) 6.915 13.992 ( 5.756 -3.538 -2.769) 7.302 14.164 ( 4.964 14.122 11.553) 18.909 14.391 ( 1.493 2.914 3.470) 4.771 14.696 ( 2.215 -0.375 -0.230) 2.258 14.862 ( -0.348 -1.051 -1.101) 1.562 15.172 ( -1.677 -4.245 1.184) 4.715 15.226 ( -0.175 -4.287 -0.538) 4.324 15.397 ( -2.598 -0.756 -1.808) 3.254 15.494 ( 4.326 -4.357 0.134) 6.142 15.590 ( 1.155 6.305 3.810) 7.456 15.868 ( -1.989 -4.559 0.977) 5.069 15.997 ( -1.078 6.861 2.832) 7.500 16.208 ( 2.773 -2.215 -2.220) 4.187 16.932 ( -4.801 11.291 5.111) 13.292 17.306 ( -4.450 0.564 0.884) 4.571 17.401 ( 5.173 6.248 0.387) 8.121 17.930 ( 5.573 -9.371 -7.027) 12.971 20.726 ( -0.966 4.633 -3.977) 6.182 20.941 ( 0.438 -5.072 -10.089) 11.300 21.077 ( 0.618 6.227 9.059) 11.010 21.534 ( 6.439 -14.884 5.428) 17.102 23.701 ( -1.140 0.441 1.151) 1.679 23.716 ( -0.285 -0.056 -1.188) 1.223 23.805 ( -0.048 0.187 2.470) 2.478 23.854 ( 0.717 -1.844 1.569) 2.525 23.965 ( -3.498 3.031 0.980) 4.732 24.082 ( 0.237 -1.421 -0.339) 1.480 24.252 ( -1.623 2.396 -4.433) 5.294 24.344 ( -0.332 -1.153 -0.346) 1.248 24.527 ( -1.871 4.199 -2.082) 5.046 24.725 ( -1.579 -4.211 -6.535) 7.933 24.946 ( -0.666 0.067 4.760) 4.807 24.994 ( 2.359 -1.718 4.115) 5.045 25.495 ( 0.130 0.436 0.530) 0.698 25.538 ( 0.973 -1.256 1.152) 1.963 25.648 ( 0.071 0.320 -1.332) 1.372 25.747 ( -0.392 -5.379 -4.902) 7.288 25.997 ( -1.438 2.996 2.528) 4.176 26.102 ( -2.054 -2.082 3.526) 4.581 26.399 ( 1.459 0.795 -0.804) 1.846 26.471 ( 0.410 -2.086 -2.176) 3.042 27.225 ( -3.233 9.221 0.948) 9.817 27.443 ( 8.135 1.789 -6.118) 10.335 27.719 ( -6.962 -1.431 4.142) 8.226 27.806 ( 2.723 -3.419 0.368) 4.387 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -15.605 15.297 6.674) 22.849 2.083 ( -17.412 10.125 12.987) 23.966 2.430 ( -7.742 -3.500 2.894) 8.976 2.626 ( 0.255 1.019 6.752) 6.833 2.861 ( 2.920 9.617 -1.949) 10.238 3.042 ( -4.117 -2.045 -5.169) 6.917 3.168 ( -1.167 -2.011 1.886) 2.994 3.183 ( -8.916 -3.791 -7.435) 12.212 3.321 ( 6.428 8.298 -0.381) 10.504 3.484 ( 4.712 -1.451 -2.756) 5.648 3.545 ( -7.323 -4.986 -2.742) 9.273 3.668 ( 5.853 -0.631 -1.484) 6.071 3.752 ( 4.956 0.845 1.774) 5.332 3.779 ( 4.302 0.579 -8.935) 9.934 3.879 ( -2.146 1.644 4.160) 4.961 3.999 ( -3.021 1.138 4.879) 5.851 4.201 ( -6.652 -2.081 5.286) 8.748 4.262 ( 0.644 1.877 0.349) 2.015 4.361 ( 1.102 0.844 4.165) 4.390 4.431 ( -1.375 -1.977 2.867) 3.744 4.751 ( 10.002 6.534 10.070) 15.625 4.874 ( 4.937 -0.032 6.758) 8.370 4.984 ( 6.702 2.995 2.217) 7.668 5.059 ( 5.270 2.329 7.307) 9.305 5.223 ( 6.301 -1.048 0.894) 6.450 5.392 ( 0.651 -8.677 -7.460) 11.462 5.519 ( 0.390 0.893 0.345) 1.034 5.641 ( -2.265 1.450 -6.917) 7.421 5.671 ( -1.864 -3.756 -3.356) 5.371 5.865 ( 3.393 -5.831 -7.951) 10.427 5.991 ( 2.834 2.982 6.541) 7.727 6.063 ( 2.016 -6.261 -3.376) 7.394 6.199 ( 4.472 -6.196 -1.425) 7.773 6.253 ( -0.031 -2.813 -4.290) 5.130 6.366 ( -0.301 -2.136 -1.226) 2.481 6.506 ( 2.109 -4.407 -8.500) 9.805 6.657 ( -1.550 -1.473 -0.264) 2.154 6.683 ( -4.243 -3.988 3.008) 6.554 6.774 ( -6.870 3.962 -4.054) 8.906 6.996 ( -1.900 -3.611 -2.805) 4.951 7.083 ( -4.795 3.995 0.203) 6.244 7.189 ( -5.329 -1.561 -1.744) 5.820 7.243 ( -5.083 1.059 3.481) 6.251 7.398 ( 8.337 5.397 3.837) 10.647 7.471 ( 0.562 8.999 0.695) 9.044 7.578 ( -3.914 2.644 -1.256) 4.887 7.730 ( 0.900 4.460 -0.926) 4.643 7.774 ( -1.088 6.174 -5.265) 8.186 7.814 ( -3.647 -0.081 -1.152) 3.825 7.960 ( 3.013 -3.020 -0.266) 4.274 8.078 ( -4.120 1.950 -0.184) 4.561 8.255 ( 0.581 3.085 3.420) 4.643 8.480 ( 6.305 8.171 1.942) 10.502 8.726 ( -0.401 -8.094 -6.193) 10.199 8.930 ( 3.356 3.304 2.742) 5.450 8.992 ( 0.347 0.709 0.915) 1.209 9.048 ( 0.867 -6.490 0.507) 6.567 9.121 ( 0.173 6.580 1.197) 6.690 9.381 ( 2.784 -2.527 3.706) 5.279 9.416 ( 1.738 -3.565 5.412) 6.710 9.607 ( 4.399 -3.423 5.926) 8.136 9.754 ( 4.950 -0.461 -2.324) 5.488 9.996 ( -1.648 -0.966 3.062) 3.609 10.014 ( 2.505 4.205 5.432) 7.312 10.190 ( -2.745 -0.165 -5.534) 6.180 10.340 ( 0.925 -1.454 -7.207) 7.410 10.606 ( -4.703 -4.590 2.403) 6.997 10.657 ( 1.245 1.712 -3.433) 4.033 10.778 ( -0.412 1.655 4.049) 4.394 10.934 ( 1.704 -3.276 -0.789) 3.776 11.004 ( 2.718 -2.960 10.210) 10.972 11.183 ( 0.807 -10.095 8.020) 12.918 11.281 ( -2.716 4.659 -4.310) 6.903 11.389 ( 0.997 -2.808 -4.203) 5.152 11.478 ( -4.265 2.035 -7.210) 8.621 11.592 ( -3.691 0.805 -9.961) 10.654 12.039 ( -4.921 -1.883 8.556) 10.048 12.191 ( -0.110 -6.318 2.163) 6.679 12.551 ( 2.566 2.784 2.628) 4.609 12.756 ( -2.339 3.109 0.281) 3.901 12.816 ( -8.495 -4.833 -6.705) 11.852 12.857 ( 3.032 -2.145 -0.586) 3.760 13.013 ( -0.259 -2.981 -4.218) 5.172 13.286 ( -7.862 -9.583 -15.064) 19.508 13.593 ( -0.404 6.724 4.357) 8.023 13.783 ( -2.073 0.407 3.476) 4.068 13.903 ( 1.092 -0.271 -1.843) 2.159 14.064 ( 3.321 -3.160 -1.571) 4.846 14.314 ( 3.215 13.068 11.651) 17.800 14.452 ( 2.899 3.546 2.757) 5.346 14.733 ( 1.579 1.357 -2.625) 3.350 14.794 ( -3.670 3.184 -1.024) 4.965 15.141 ( -2.034 -4.391 0.364) 4.853 15.204 ( -1.891 -6.397 -1.500) 6.837 15.377 ( 1.692 2.980 -1.428) 3.712 15.572 ( 4.419 -0.289 -2.217) 4.953 15.684 ( 3.402 -0.829 8.065) 8.792 15.811 ( -3.513 -0.367 -1.352) 3.782 16.032 ( 4.186 6.004 1.089) 7.400 16.228 ( -0.717 -2.018 0.621) 2.230 16.834 ( -7.950 11.577 2.774) 14.316 17.214 ( -5.717 -1.598 1.329) 6.083 17.488 ( 4.189 6.358 -0.199) 7.617 17.960 ( 1.384 -9.977 -5.650) 11.549 20.678 ( -1.918 4.501 -2.766) 5.621 20.880 ( -1.390 -4.841 -7.250) 8.828 21.097 ( -3.735 6.941 7.419) 10.824 21.623 ( 0.205 -18.193 1.606) 18.265 23.673 ( -1.726 0.805 -0.544) 1.981 23.709 ( -0.405 -0.182 0.157) 0.471 23.813 ( -0.834 0.303 3.225) 3.345 23.879 ( -0.990 -2.202 4.456) 5.068 23.919 ( -0.841 4.484 0.627) 4.605 24.086 ( 0.377 -1.933 -0.776) 2.117 24.168 ( -4.087 2.674 -3.600) 6.068 24.316 ( -2.125 -2.558 -1.015) 3.477 24.500 ( -0.346 3.076 -1.440) 3.414 24.663 ( -0.882 -4.407 -6.698) 8.067 24.968 ( 0.119 2.005 4.342) 4.784 25.071 ( 3.529 -2.237 3.443) 5.414 25.503 ( 0.229 -0.265 1.114) 1.168 25.569 ( 1.462 -2.141 0.987) 2.774 25.637 ( -0.422 -0.458 -2.061) 2.153 25.688 ( -2.902 -4.102 -5.437) 7.403 25.969 ( -3.232 2.969 3.439) 5.575 26.077 ( -2.814 -1.754 3.048) 4.504 26.406 ( -0.445 0.610 -1.689) 1.850 26.465 ( 0.682 -1.476 -1.335) 2.103 27.110 ( -7.760 10.474 -0.356) 13.040 27.516 ( 0.238 -6.101 -3.163) 6.876 27.725 ( 8.371 6.231 1.335) 10.521 27.942 ( 9.837 -2.648 1.401) 10.283 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -18.396 17.212 5.244) 25.732 1.914 ( -12.891 26.613 21.583) 36.609 2.317 ( -6.169 -8.660 2.575) 10.939 2.612 ( -7.714 18.809 -0.087) 20.330 2.817 ( 0.479 1.847 1.494) 2.423 2.950 ( -6.898 -9.645 1.039) 11.903 3.074 ( -2.130 -0.947 -3.291) 4.033 3.110 ( -6.439 1.254 -0.866) 6.617 3.275 ( -5.184 -6.108 1.241) 8.107 3.427 ( -5.225 4.298 -2.822) 7.331 3.487 ( -2.568 -3.997 -5.212) 7.052 3.644 ( -7.345 1.194 -10.299) 12.706 3.777 ( 3.586 -5.235 6.160) 8.844 3.868 ( 6.030 3.100 0.914) 6.842 3.962 ( -0.105 0.288 4.281) 4.292 4.018 ( 9.390 1.054 1.699) 9.600 4.194 ( 3.470 -0.195 1.739) 3.886 4.340 ( 5.496 -3.553 3.191) 7.281 4.439 ( 4.254 0.769 6.524) 7.826 4.544 ( 10.606 -4.108 2.415) 11.628 4.856 ( 0.195 8.585 -3.442) 9.251 5.023 ( 6.068 6.235 5.710) 10.407 5.095 ( 5.220 5.123 -1.387) 7.444 5.243 ( 7.240 -0.104 10.779) 12.985 5.310 ( 2.148 -4.259 -3.565) 5.955 5.434 ( 6.987 1.356 3.242) 7.821 5.538 ( 4.723 -9.646 -1.520) 10.847 5.634 ( 0.905 3.680 -0.592) 3.836 5.709 ( 6.063 -4.746 3.129) 8.311 5.874 ( 2.016 -8.129 -9.278) 12.499 6.055 ( 0.758 -1.599 0.130) 1.775 6.107 ( 4.242 3.762 -1.235) 5.803 6.210 ( -2.566 -1.960 -3.416) 4.701 6.249 ( 2.516 -0.734 0.514) 2.671 6.345 ( -3.437 -2.714 -2.753) 5.173 6.493 ( -11.914 4.213 -0.773) 12.661 6.538 ( 2.777 -5.159 -2.435) 6.345 6.630 ( -3.018 -3.389 -0.045) 4.538 6.679 ( -0.348 -2.152 -1.142) 2.461 6.944 ( -0.063 -0.694 -3.460) 3.529 6.975 ( -4.697 -1.405 -3.414) 5.974 7.089 ( -4.313 -6.873 0.768) 8.150 7.189 ( -4.212 3.567 2.911) 6.240 7.391 ( -4.635 -2.249 0.387) 5.166 7.489 ( -0.192 3.753 -1.335) 3.988 7.537 ( -3.530 11.985 -5.118) 13.501 7.673 ( 2.564 -0.328 -0.092) 2.586 7.768 ( 2.162 0.452 -1.876) 2.897 7.921 ( -1.490 -1.596 1.880) 2.881 7.960 ( 6.541 4.613 -0.917) 8.056 8.078 ( 1.990 1.133 7.189) 7.544 8.246 ( -3.347 -4.683 1.069) 5.855 8.638 ( -2.529 -2.344 -2.240) 4.112 8.644 ( 9.271 5.719 -1.719) 11.028 8.882 ( -7.694 -4.264 4.577) 9.916 9.010 ( -1.255 -3.588 -5.246) 6.478 9.053 ( -0.297 5.895 2.279) 6.327 9.207 ( 7.185 10.817 -0.089) 12.986 9.422 ( 1.397 -5.153 1.472) 5.538 9.505 ( 3.240 1.833 1.328) 3.952 9.747 ( 4.351 6.725 10.188) 12.959 9.827 ( 4.475 2.631 -6.483) 8.305 9.978 ( -1.070 1.161 -3.219) 3.586 10.074 ( 1.647 3.311 3.496) 5.089 10.140 ( 0.299 -5.399 2.370) 5.904 10.313 ( 1.003 1.734 -7.308) 7.578 10.487 ( -9.754 -4.433 1.468) 10.814 10.634 ( -2.331 -2.470 -4.316) 5.492 10.723 ( -6.087 2.712 2.941) 7.284 10.871 ( -9.840 -3.695 -4.069) 11.271 11.016 ( -1.217 -0.654 -0.879) 1.637 11.137 ( -3.101 -3.386 -8.489) 9.651 11.273 ( -1.522 0.702 -1.824) 2.477 11.421 ( 4.884 -4.994 3.776) 7.941 11.472 ( 2.506 -2.472 5.069) 6.171 11.501 ( 0.618 -1.603 -5.078) 5.361 11.960 ( -6.384 -2.807 4.451) 8.273 12.215 ( -1.217 -8.297 5.380) 9.963 12.561 ( 0.097 3.197 -3.188) 4.516 12.690 ( -0.259 -2.865 -1.404) 3.201 12.817 ( 4.613 0.551 5.893) 7.504 12.943 ( 2.144 -8.927 6.462) 11.227 13.004 ( 0.992 -3.627 0.684) 3.822 13.070 ( -5.719 -7.364 -11.350) 14.689 13.591 ( -2.237 7.074 2.470) 7.819 13.743 ( -4.147 2.077 1.527) 4.883 13.925 ( 1.352 0.945 0.566) 1.744 14.094 ( 0.218 -2.255 1.202) 2.565 14.414 ( 3.143 8.028 5.371) 10.157 14.494 ( 1.392 2.709 -3.036) 4.300 14.701 ( 0.084 5.939 -2.554) 6.466 14.797 ( 1.769 2.195 -0.842) 2.943 15.107 ( -1.821 -4.211 -0.974) 4.690 15.148 ( -2.344 -5.839 -2.287) 6.695 15.430 ( 3.666 5.972 0.521) 7.027 15.630 ( 2.481 1.613 -0.138) 2.963 15.729 ( -2.894 2.117 2.404) 4.317 15.748 ( -0.861 -2.028 -3.039) 3.754 16.136 ( -0.044 1.299 4.683) 4.860 16.185 ( -0.822 -2.118 1.139) 2.542 16.716 ( -4.708 14.463 0.932) 15.239 17.138 ( -2.816 -1.316 0.424) 3.138 17.549 ( 2.790 3.107 -0.437) 4.198 17.899 ( -4.831 -10.149 -6.416) 12.942 20.634 ( -1.497 4.421 -1.281) 4.840 20.821 ( -1.149 -4.300 -4.030) 6.004 21.031 ( -6.636 7.097 3.699) 10.397 21.529 ( -9.609 -17.409 -5.734) 20.695 23.642 ( -1.188 1.397 -0.438) 1.885 23.702 ( -0.446 -0.588 0.075) 0.741 23.812 ( -1.385 1.911 1.898) 3.028 23.852 ( -1.750 1.733 1.422) 2.844 23.962 ( 0.732 -1.579 7.432) 7.633 24.068 ( -2.149 -3.564 1.125) 4.311 24.112 ( 0.337 2.582 -1.469) 2.989 24.273 ( -1.959 -4.072 0.334) 4.531 24.495 ( 0.546 2.752 -0.480) 2.847 24.625 ( 0.516 -3.376 -4.249) 5.452 24.995 ( 0.226 3.408 3.368) 4.797 25.138 ( 1.268 -3.352 1.899) 4.056 25.514 ( 0.177 -1.006 1.008) 1.435 25.579 ( -2.867 -3.243 -3.613) 5.638 25.598 ( -0.089 -1.283 -0.592) 1.416 25.620 ( -0.536 -1.933 -1.912) 2.771 25.929 ( -3.696 2.921 4.772) 6.706 26.033 ( -4.103 -1.532 3.302) 5.485 26.370 ( -1.426 2.666 -3.138) 4.357 26.479 ( 1.019 -2.274 -0.655) 2.577 26.981 ( -5.828 10.766 0.053) 12.243 27.471 ( -1.992 -11.203 -2.601) 11.673 27.965 ( 15.851 8.799 -0.668) 18.142 28.135 ( 10.013 -0.410 1.184) 10.091 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -13.232 21.818 11.406) 27.951 1.804 ( -11.236 30.410 14.219) 35.400 2.277 ( 0.821 -13.436 2.712) 13.731 2.522 ( -4.369 35.576 16.070) 39.281 2.775 ( -2.267 -8.525 -2.805) 9.256 2.878 ( -10.501 -0.109 0.287) 10.505 2.967 ( 1.049 -3.315 5.239) 6.288 3.013 ( -7.340 -0.696 0.135) 7.374 3.208 ( -2.927 -2.550 0.141) 3.884 3.325 ( -6.345 0.855 -2.748) 6.968 3.403 ( 1.022 -6.935 -7.070) 9.956 3.542 ( 3.889 -3.927 -7.554) 9.360 3.851 ( -1.760 -1.811 5.285) 5.858 3.898 ( -3.565 -3.897 -0.523) 5.308 3.951 ( 2.377 3.946 0.186) 4.610 4.241 ( 5.328 -4.630 4.373) 8.304 4.325 ( 10.634 1.312 2.779) 11.069 4.461 ( 3.566 -5.158 7.381) 9.685 4.598 ( 8.876 -0.462 3.595) 9.587 4.715 ( 4.514 -4.664 2.799) 7.069 4.792 ( -0.476 6.102 -13.058) 14.421 5.086 ( 0.134 -3.887 0.696) 3.951 5.196 ( 8.673 7.576 -0.956) 11.555 5.321 ( 2.741 2.439 3.407) 5.007 5.473 ( 5.937 0.506 8.635) 10.491 5.539 ( 1.111 -0.846 -2.452) 2.822 5.603 ( -1.789 2.820 2.600) 4.232 5.711 ( 10.610 2.542 3.700) 11.521 5.771 ( -4.093 0.953 1.306) 4.401 5.846 ( -1.440 0.329 -4.524) 4.759 5.986 ( -6.049 0.842 -5.485) 8.209 6.096 ( -2.879 3.216 -2.815) 5.153 6.176 ( -4.155 -4.262 4.686) 7.576 6.221 ( 5.298 -0.315 -3.223) 6.210 6.367 ( -0.115 1.905 -2.314) 3.000 6.387 ( 3.957 -0.528 2.611) 4.770 6.520 ( -0.128 -1.111 -1.701) 2.036 6.624 ( -0.202 -5.243 -0.431) 5.264 6.719 ( 4.134 -2.949 -1.490) 5.292 6.864 ( -4.423 -2.905 -1.346) 5.460 6.974 ( 3.061 -2.038 -0.347) 3.694 7.050 ( 0.361 -6.030 -1.985) 6.358 7.144 ( -1.738 4.455 4.392) 6.493 7.336 ( -2.783 -2.456 4.803) 6.070 7.416 ( -3.496 7.963 -3.858) 9.514 7.563 ( 3.738 -4.055 -0.203) 5.519 7.656 ( -2.330 -6.422 -4.403) 8.128 7.824 ( 3.863 5.462 -8.093) 10.500 7.865 ( 0.006 -6.017 6.374) 8.765 8.032 ( 0.311 3.247 2.793) 4.295 8.129 ( -6.271 -3.585 -0.586) 7.248 8.262 ( 7.727 -3.244 2.746) 8.819 8.611 ( -3.686 3.778 5.284) 7.469 8.682 ( -3.437 1.123 -3.702) 5.175 8.870 ( 4.221 -2.229 5.400) 7.208 8.901 ( -3.980 -3.659 -7.751) 9.450 9.056 ( -0.394 5.210 0.840) 5.292 9.290 ( 2.208 2.384 -3.870) 5.053 9.472 ( -4.447 8.693 -8.218) 12.762 9.509 ( 5.172 2.958 1.897) 6.253 9.685 ( -12.135 5.929 -10.598) 17.168 9.786 ( -2.704 4.778 -5.579) 7.828 10.028 ( 2.570 -1.801 4.924) 5.839 10.160 ( 6.582 6.375 6.784) 11.401 10.187 ( 0.911 -3.610 2.370) 4.413 10.297 ( 0.988 1.291 -4.553) 4.835 10.358 ( -1.469 0.792 0.012) 1.669 10.528 ( -3.753 -5.030 -0.435) 6.291 10.650 ( -3.995 -2.248 1.264) 4.755 10.679 ( -8.206 -6.920 -3.461) 11.279 10.880 ( -4.819 -5.342 -9.893) 12.232 11.070 ( -2.072 -9.543 -2.144) 9.998 11.309 ( 3.651 8.807 5.492) 11.003 11.452 ( -1.713 2.141 -0.767) 2.847 11.538 ( 7.138 -1.729 -0.786) 7.386 11.587 ( 0.835 -1.578 5.034) 5.341 11.927 ( 0.852 -2.455 4.514) 5.209 12.171 ( -6.410 -9.898 4.163) 12.505 12.555 ( 2.827 2.070 -5.938) 6.895 12.723 ( 1.241 -5.325 -3.167) 6.319 12.899 ( -0.723 -2.972 0.538) 3.106 12.938 ( 1.142 -3.929 5.519) 6.870 13.021 ( 1.497 -2.414 5.043) 5.788 13.141 ( 5.652 -7.568 17.210) 19.632 13.549 ( -2.547 7.013 -0.761) 7.500 13.646 ( -7.051 4.545 1.196) 8.473 13.947 ( 0.057 0.278 2.204) 2.222 14.094 ( -0.997 -2.879 2.206) 3.762 14.486 ( 3.885 4.583 -9.269) 11.045 14.513 ( 4.394 3.725 0.051) 5.761 14.712 ( 1.402 4.563 -2.004) 5.177 14.807 ( 0.075 0.554 -3.421) 3.466 15.051 ( -2.622 -1.009 -0.771) 2.914 15.134 ( 1.784 -4.671 -1.324) 5.172 15.488 ( 1.443 6.465 1.846) 6.876 15.631 ( -3.505 -1.921 -2.117) 4.523 15.662 ( -1.900 2.649 -4.488) 5.547 15.722 ( -0.897 2.121 0.988) 2.506 16.030 ( -8.342 0.737 4.589) 9.549 16.227 ( -0.676 -6.207 1.384) 6.395 16.723 ( 4.341 16.394 1.613) 17.035 17.128 ( 1.367 -1.082 0.972) 1.995 17.585 ( 1.778 0.001 -1.620) 2.405 17.707 ( -11.025 -5.026 -8.788) 14.968 20.613 ( -0.258 4.423 -0.216) 4.436 20.802 ( 0.966 -4.299 -2.899) 5.274 20.924 ( -5.286 6.633 0.440) 8.493 21.244 ( -14.724 -8.145 -9.217) 19.186 23.628 ( -0.223 1.681 0.044) 1.696 23.693 ( -0.472 -0.347 -0.356) 0.685 23.782 ( -1.335 3.334 -1.206) 3.788 23.851 ( -0.644 -0.177 3.220) 3.288 23.968 ( -1.369 -0.309 1.034) 1.743 24.098 ( 0.053 -7.328 10.473) 12.782 24.123 ( 1.607 1.458 -1.910) 2.891 24.258 ( -1.095 -5.509 3.745) 6.751 24.519 ( 1.797 2.937 1.438) 3.731 24.650 ( 3.450 -3.045 1.544) 4.854 25.010 ( -0.039 2.530 1.533) 2.959 25.105 ( -5.183 -3.026 -0.693) 6.042 25.508 ( 0.257 0.766 -0.417) 0.909 25.550 ( 0.772 -1.081 -0.027) 1.328 25.594 ( 0.466 -2.123 0.095) 2.175 25.626 ( 0.622 -3.591 0.499) 3.678 25.893 ( -3.211 2.207 4.897) 6.258 25.972 ( -4.685 -1.466 4.443) 6.621 26.334 ( -0.244 4.572 -3.773) 5.933 26.486 ( 0.256 -2.805 -1.322) 3.112 26.907 ( -2.693 10.219 0.925) 10.608 27.424 ( -1.114 -12.984 -4.501) 13.787 28.221 ( 10.815 5.824 -2.184) 12.476 28.307 ( 8.740 0.684 0.400) 8.776 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 1.235 -21.871 7.237) 23.070 1.870 ( 1.235 21.871 7.237) 23.070 2.337 ( -5.165 -25.635 5.751) 26.775 2.337 ( -5.165 25.635 5.751) 26.775 2.831 ( -1.817 -4.723 1.347) 5.237 2.831 ( -1.817 4.723 1.347) 5.237 2.971 ( -4.363 -6.025 -1.548) 7.598 2.971 ( -4.363 6.025 -1.548) 7.598 3.254 ( 5.533 -6.461 4.155) 9.467 3.254 ( 5.533 6.461 4.155) 9.467 3.509 ( 8.174 -8.507 -0.196) 11.799 3.509 ( 8.174 8.507 -0.196) 11.799 3.774 ( -4.088 -3.136 1.723) 5.433 3.774 ( -4.088 3.136 1.723) 5.433 4.104 ( -2.648 -10.127 -0.012) 10.467 4.104 ( -2.648 10.127 -0.012) 10.467 4.425 ( -2.283 -0.795 5.873) 6.351 4.425 ( -2.283 0.795 5.873) 6.351 4.699 ( -0.800 -2.809 0.361) 2.943 4.699 ( -0.800 2.809 0.361) 2.943 4.898 ( 0.753 -7.945 -4.812) 9.319 4.898 ( 0.753 7.945 -4.812) 9.319 5.382 ( 3.591 -1.467 0.975) 3.999 5.382 ( 3.591 1.467 0.975) 3.999 5.555 ( -5.734 -3.462 3.588) 7.598 5.555 ( -5.734 3.462 3.588) 7.598 5.697 ( -3.740 -2.864 -6.116) 7.720 5.697 ( -3.740 2.864 -6.116) 7.720 5.819 ( 2.585 -4.048 0.111) 4.804 5.819 ( 2.585 4.048 0.111) 4.804 6.079 ( 2.412 -9.745 2.188) 10.275 6.079 ( 2.412 9.745 2.188) 10.275 6.193 ( 4.411 -5.332 0.448) 6.934 6.193 ( 4.411 5.332 0.448) 6.934 6.435 ( -0.792 -4.065 2.742) 4.967 6.435 ( -0.792 4.065 2.742) 4.967 6.534 ( 0.473 -2.127 3.135) 3.818 6.534 ( 0.473 2.127 3.135) 3.818 6.766 ( 0.399 -2.881 0.134) 2.912 6.766 ( 0.399 2.881 0.134) 2.912 7.000 ( 4.032 -2.378 -2.776) 5.442 7.000 ( 4.032 2.378 -2.776) 5.442 7.256 ( -0.148 -3.971 5.330) 6.648 7.256 ( -0.148 3.971 5.330) 6.648 7.476 ( -1.928 -3.486 -0.576) 4.025 7.476 ( -1.928 3.486 -0.576) 4.025 7.705 ( 2.472 -13.395 3.072) 13.963 7.705 ( 2.472 13.395 3.072) 13.963 7.914 ( -0.285 -3.187 -8.887) 9.445 7.914 ( -0.285 3.187 -8.887) 9.445 8.219 ( 1.956 -6.888 2.443) 7.565 8.219 ( 1.956 6.888 2.443) 7.565 8.536 ( -6.634 -2.425 0.898) 7.120 8.536 ( -6.634 2.425 0.898) 7.120 8.937 ( 3.083 -0.988 0.755) 3.324 8.937 ( 3.083 0.988 0.755) 3.324 9.159 ( 0.743 -5.659 -0.993) 5.793 9.159 ( 0.743 5.659 -0.993) 5.793 9.460 ( -8.342 -9.535 -14.216) 19.042 9.460 ( -8.342 9.535 -14.216) 19.042 9.657 ( -2.693 -1.988 -8.041) 8.710 9.657 ( -2.693 1.988 -8.041) 8.710 10.094 ( -4.351 -2.039 -2.456) 5.396 10.094 ( -4.351 2.039 -2.456) 5.396 10.307 ( -1.368 -5.519 -0.077) 5.687 10.307 ( -1.368 5.519 -0.077) 5.687 10.434 ( 4.580 -2.126 -5.774) 7.670 10.434 ( 4.580 2.126 -5.774) 7.670 10.522 ( 4.192 -2.560 0.864) 4.987 10.522 ( 4.192 2.560 0.864) 4.987 10.912 ( 4.052 -7.039 5.938) 10.061 10.912 ( 4.052 7.039 5.938) 10.061 11.495 ( -1.398 -2.147 3.198) 4.098 11.495 ( -1.398 2.147 3.198) 4.098 11.587 ( 1.302 -5.758 -3.602) 6.916 11.587 ( 1.302 5.758 -3.602) 6.916 11.975 ( -0.743 -2.716 7.902) 8.388 11.975 ( -0.743 2.716 7.902) 8.388 12.597 ( 0.890 -0.814 -6.339) 6.453 12.597 ( 0.890 0.814 -6.339) 6.453 12.958 ( 1.079 -3.087 8.809) 9.396 12.958 ( 1.079 3.087 8.809) 9.396 13.181 ( 4.031 -8.406 19.411) 21.534 13.181 ( 4.031 8.406 19.411) 21.534 13.587 ( -2.464 -1.512 -1.712) 3.360 13.587 ( -2.464 1.512 -1.712) 3.360 13.993 ( -1.016 -4.313 0.763) 4.496 13.993 ( -1.016 4.313 0.763) 4.496 14.546 ( -0.001 -3.625 -9.486) 10.155 14.546 ( -0.001 3.625 -9.486) 10.155 14.742 ( -2.309 -2.809 -3.381) 4.965 14.742 ( -2.309 2.809 -3.381) 4.965 15.112 ( 2.698 -3.391 1.416) 4.558 15.112 ( 2.698 3.391 1.416) 4.558 15.519 ( -0.757 -3.256 -4.133) 5.316 15.519 ( -0.757 3.256 -4.133) 5.316 15.700 ( 0.625 -3.730 -2.001) 4.279 15.700 ( 0.625 3.730 -2.001) 4.279 16.046 ( -4.025 -6.440 3.397) 8.319 16.046 ( -4.025 6.440 3.397) 8.319 17.066 ( 2.600 -8.738 2.660) 9.497 17.066 ( 2.600 8.738 2.660) 9.497 17.553 ( -1.226 -4.174 -4.521) 6.274 17.553 ( -1.226 4.174 -4.521) 6.274 20.710 ( 0.834 -4.054 -1.238) 4.320 20.710 ( 0.834 4.054 -1.238) 4.320 20.973 ( -1.350 -2.789 -3.180) 4.439 20.973 ( -1.350 2.789 -3.180) 4.439 23.668 ( 0.418 -1.544 -0.026) 1.600 23.668 ( 0.418 1.544 -0.026) 1.600 23.814 ( -0.614 -2.379 -1.245) 2.755 23.814 ( -0.614 2.379 -1.245) 2.755 24.018 ( -0.225 -4.311 6.087) 7.462 24.018 ( -0.225 4.311 6.087) 7.462 24.182 ( 0.629 -2.628 0.612) 2.770 24.182 ( 0.629 2.628 0.612) 2.770 24.660 ( 3.209 -4.261 5.294) 7.515 24.660 ( 3.209 4.261 5.294) 7.515 25.002 ( -2.543 -1.896 -1.902) 3.699 25.002 ( -2.543 1.896 -1.902) 3.699 25.556 ( -0.324 -2.767 0.527) 2.835 25.556 ( -0.324 2.767 0.527) 2.835 25.594 ( 2.878 -1.478 0.865) 3.349 25.594 ( 2.878 1.478 0.865) 3.349 25.903 ( -2.231 -1.462 5.345) 5.974 25.903 ( -2.231 1.462 5.345) 5.974 26.405 ( 0.097 -3.765 -3.460) 5.115 26.405 ( 0.097 3.765 -3.460) 5.115 27.115 ( -0.097 -12.277 -2.681) 12.566 27.115 ( -0.097 12.277 -2.681) 12.566 28.372 ( 0.096 -2.353 -1.353) 2.716 28.372 ( 0.096 2.353 -1.353) 2.716 ======================= Grid point 89 (46/84) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 7.583 -17.243 10.050) 21.350 2.007 ( 7.583 17.243 10.050) 21.350 2.282 ( -3.969 -22.811 6.615) 24.080 2.282 ( -3.969 22.811 6.615) 24.080 2.829 ( -0.035 -4.600 -1.816) 4.945 2.829 ( -0.035 4.600 -1.816) 4.945 2.989 ( 8.824 -4.723 -2.168) 10.241 2.989 ( 8.824 4.723 -2.168) 10.241 3.325 ( 1.008 -1.798 -3.398) 3.974 3.325 ( 1.008 1.798 -3.398) 3.974 3.639 ( 2.662 -2.578 4.104) 5.530 3.639 ( 2.662 2.578 4.104) 5.530 3.740 ( -0.064 -6.363 2.011) 6.673 3.740 ( -0.064 6.363 2.011) 6.673 4.074 ( -0.363 -8.199 2.761) 8.659 4.074 ( -0.363 8.199 2.761) 8.659 4.357 ( -7.051 -1.086 5.019) 8.723 4.357 ( -7.051 1.086 5.019) 8.723 4.619 ( -7.883 -4.927 0.403) 9.305 4.619 ( -7.883 4.927 0.403) 9.305 4.854 ( -4.131 -7.006 -1.562) 8.282 4.854 ( -4.131 7.006 -1.562) 8.282 5.310 ( -14.339 -2.016 -6.354) 15.813 5.310 ( -14.339 2.016 -6.354) 15.813 5.462 ( 1.962 -3.691 2.716) 4.985 5.462 ( 1.962 3.691 2.716) 4.985 5.650 ( 0.393 -2.945 4.526) 5.414 5.650 ( 0.393 2.945 4.526) 5.414 5.997 ( 9.761 -5.793 2.106) 11.544 5.997 ( 9.761 5.793 2.106) 11.544 6.086 ( -2.227 -7.328 -1.574) 7.819 6.086 ( -2.227 7.328 -1.574) 7.819 6.166 ( -1.194 -1.910 -4.549) 5.077 6.166 ( -1.194 1.910 -4.549) 5.077 6.442 ( -1.905 -2.593 1.905) 3.739 6.442 ( -1.905 2.593 1.905) 3.739 6.587 ( 1.472 -1.853 3.071) 3.877 6.587 ( 1.472 1.853 3.071) 3.877 6.794 ( 2.971 -5.899 3.553) 7.500 6.794 ( 2.971 5.899 3.553) 7.500 7.047 ( 2.342 -4.002 -5.506) 7.198 7.047 ( 2.342 4.002 -5.506) 7.198 7.266 ( -1.012 -4.292 7.983) 9.120 7.266 ( -1.012 4.292 7.983) 9.120 7.448 ( -1.909 -4.606 -0.923) 5.071 7.448 ( -1.909 4.606 -0.923) 5.071 7.795 ( 4.594 -9.342 -1.463) 10.513 7.795 ( 4.594 9.342 -1.463) 10.513 7.879 ( 2.998 -7.105 -5.083) 9.236 7.879 ( 2.998 7.105 -5.083) 9.236 8.237 ( -1.862 -5.751 4.923) 7.796 8.237 ( -1.862 5.751 4.923) 7.796 8.522 ( 3.491 -4.267 0.270) 5.520 8.522 ( 3.491 4.267 0.270) 5.520 8.920 ( -3.108 -2.574 -1.734) 4.392 8.920 ( -3.108 2.574 -1.734) 4.392 9.217 ( 1.743 -3.978 -5.079) 6.683 9.217 ( 1.743 3.978 -5.079) 6.683 9.272 ( -1.932 -6.365 -5.223) 8.457 9.272 ( -1.932 6.365 -5.223) 8.457 9.546 ( -3.382 -5.096 -8.324) 10.329 9.546 ( -3.382 5.096 -8.324) 10.329 9.956 ( -7.480 -4.922 -1.189) 9.033 9.956 ( -7.480 4.922 -1.189) 9.033 10.340 ( 3.548 -8.073 -0.230) 8.821 10.340 ( 3.548 8.073 -0.230) 8.821 10.441 ( 2.490 -1.266 -7.049) 7.583 10.441 ( 2.490 1.266 -7.049) 7.583 10.647 ( 6.743 -4.008 -0.499) 7.860 10.647 ( 6.743 4.008 -0.499) 7.860 11.010 ( 0.680 -2.025 1.002) 2.360 11.010 ( 0.680 2.025 1.002) 2.360 11.440 ( -1.726 -2.071 -0.372) 2.722 11.440 ( -1.726 2.071 -0.372) 2.722 11.648 ( 4.726 -4.567 3.653) 7.519 11.648 ( 4.726 4.567 3.653) 7.519 11.995 ( -1.948 -7.510 6.902) 10.384 11.995 ( -1.948 7.510 6.902) 10.384 12.573 ( -0.065 -3.295 -4.687) 5.730 12.573 ( -0.065 3.295 -4.687) 5.730 13.022 ( 0.140 -5.162 11.340) 12.460 13.022 ( 0.140 5.162 11.340) 12.460 13.373 ( 4.067 -10.340 16.516) 19.905 13.373 ( 4.067 10.340 16.516) 19.905 13.563 ( 1.187 -4.750 -0.638) 4.938 13.563 ( 1.187 4.750 -0.638) 4.938 13.993 ( 1.124 -4.495 0.169) 4.636 13.993 ( 1.124 4.495 0.169) 4.636 14.411 ( -7.587 -7.460 -11.734) 15.840 14.411 ( -7.587 7.460 -11.734) 15.840 14.687 ( -1.313 -3.569 -3.413) 5.110 14.687 ( -1.313 3.569 -3.413) 5.110 15.146 ( 0.685 -3.304 1.531) 3.705 15.146 ( 0.685 3.304 1.531) 3.705 15.560 ( 5.350 -6.707 -3.764) 9.368 15.560 ( 5.350 6.707 -3.764) 9.368 15.690 ( -0.646 -4.620 -2.139) 5.132 15.690 ( -0.646 4.620 -2.139) 5.132 16.010 ( -1.115 -3.657 3.331) 5.071 16.010 ( -1.115 3.657 3.331) 5.071 17.118 ( 1.063 -8.663 4.165) 9.671 17.118 ( 1.063 8.663 4.165) 9.671 17.530 ( 1.979 -9.712 -6.103) 11.640 17.530 ( 1.979 9.712 -6.103) 11.640 20.740 ( 3.707 -2.908 -1.363) 4.904 20.740 ( 3.707 2.908 -1.363) 4.904 20.980 ( 3.027 -2.674 -2.702) 4.860 20.980 ( 3.027 2.674 -2.702) 4.860 23.681 ( 0.849 -0.945 0.269) 1.299 23.681 ( 0.849 0.945 0.269) 1.299 23.804 ( 0.257 -2.185 -1.268) 2.540 23.804 ( 0.257 2.185 -1.268) 2.540 24.044 ( -0.513 -3.933 5.047) 6.419 24.044 ( -0.513 3.933 5.047) 6.419 24.203 ( 1.542 -2.392 0.485) 2.887 24.203 ( 1.542 2.392 0.485) 2.887 24.739 ( 1.453 -3.892 6.131) 7.406 24.739 ( 1.453 3.892 6.131) 7.406 24.952 ( -1.519 -4.414 -2.988) 5.542 24.952 ( -1.519 4.414 -2.988) 5.542 25.544 ( -1.058 -2.759 0.341) 2.975 25.544 ( -1.058 2.759 0.341) 2.975 25.649 ( 2.460 -1.441 -0.365) 2.874 25.649 ( 2.460 1.441 -0.365) 2.874 25.927 ( 0.988 -2.088 7.178) 7.541 25.927 ( 0.988 2.088 7.178) 7.541 26.388 ( 0.629 -2.792 -4.109) 5.007 26.388 ( 0.629 2.792 -4.109) 5.007 27.120 ( 2.459 -9.845 -2.638) 10.485 27.120 ( 2.459 9.845 -2.638) 10.485 28.287 ( -8.163 -1.681 -0.937) 8.387 28.287 ( -8.163 1.681 -0.937) 8.387 ======================= Grid point 91 (47/84) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 3.884 -8.286 8.660) 12.599 2.194 ( 3.884 8.286 8.660) 12.599 2.325 ( 4.960 -10.467 13.152) 17.525 2.325 ( 4.960 10.467 13.152) 17.525 2.821 ( 2.651 -4.421 -8.418) 9.871 2.821 ( 2.651 4.421 -8.418) 9.871 3.152 ( 6.226 -1.158 -3.785) 7.377 3.152 ( 6.226 1.158 -3.785) 7.377 3.328 ( 4.935 -1.179 -1.469) 5.282 3.328 ( 4.935 1.179 -1.469) 5.282 3.644 ( -2.123 -2.440 -3.152) 4.516 3.644 ( -2.123 2.440 -3.152) 4.516 3.779 ( 2.681 -7.156 4.401) 8.818 3.779 ( 2.681 7.156 4.401) 8.818 4.047 ( -7.560 -2.673 4.742) 9.316 4.047 ( -7.560 2.673 4.742) 9.316 4.304 ( -1.037 -2.892 3.694) 4.805 4.304 ( -1.037 2.892 3.694) 4.805 4.462 ( -8.158 -6.751 2.850) 10.966 4.462 ( -8.158 6.751 2.850) 10.966 4.750 ( -6.006 -3.877 -0.602) 7.173 4.750 ( -6.006 3.877 -0.602) 7.173 5.029 ( -13.018 -2.203 -3.880) 13.761 5.029 ( -13.018 2.203 -3.880) 13.761 5.493 ( -0.555 -4.234 3.107) 5.281 5.493 ( -0.555 4.234 3.107) 5.281 5.706 ( 1.045 -1.509 7.052) 7.287 5.706 ( 1.045 1.509 7.052) 7.287 5.980 ( -3.478 -6.377 -6.420) 9.694 5.980 ( -3.478 6.377 -6.420) 9.694 6.057 ( -3.642 -7.535 1.588) 8.518 6.057 ( -3.642 7.535 1.588) 8.518 6.194 ( -1.354 -3.221 0.067) 3.494 6.194 ( -1.354 3.221 0.067) 3.494 6.465 ( 8.020 -2.767 -1.506) 8.617 6.465 ( 8.020 2.767 -1.506) 8.617 6.603 ( 1.414 -1.523 -1.829) 2.768 6.603 ( 1.414 1.523 -1.829) 2.768 6.900 ( 4.679 -3.714 -0.200) 5.977 6.900 ( 4.679 3.714 -0.200) 5.977 7.023 ( 0.963 -0.545 -1.768) 2.086 7.023 ( 0.963 0.545 -1.768) 2.086 7.281 ( -3.790 -6.928 -0.012) 7.897 7.281 ( -3.790 6.928 -0.012) 7.897 7.445 ( 3.348 -3.055 4.536) 6.413 7.445 ( 3.348 3.055 4.536) 6.413 7.792 ( 0.164 -3.692 -8.362) 9.142 7.792 ( 0.164 3.692 -8.362) 9.142 7.981 ( 5.065 -11.137 3.894) 12.840 7.981 ( 5.065 11.137 3.894) 12.840 8.246 ( 0.164 -7.739 5.635) 9.574 8.246 ( 0.164 7.739 5.635) 9.574 8.583 ( 2.929 -5.968 -4.263) 7.898 8.583 ( 2.929 5.968 -4.263) 7.898 8.853 ( -2.908 -4.897 0.268) 5.702 8.853 ( -2.908 4.897 0.268) 5.702 9.100 ( -3.987 -1.733 -6.902) 8.157 9.100 ( -3.987 1.733 -6.902) 8.157 9.351 ( 3.905 -5.301 3.252) 7.344 9.351 ( 3.905 5.301 3.252) 7.344 9.472 ( -0.349 -5.671 -4.645) 7.339 9.472 ( -0.349 5.671 -4.645) 7.339 9.828 ( -6.540 -5.495 1.331) 8.645 9.828 ( -6.540 5.495 1.331) 8.645 10.391 ( 1.047 -5.206 -1.078) 5.419 10.391 ( 1.047 5.206 -1.078) 5.419 10.484 ( 6.718 -4.224 -4.982) 9.370 10.484 ( 6.718 4.224 -4.982) 9.370 10.737 ( 3.603 -1.310 -1.671) 4.182 10.737 ( 3.603 1.310 -1.671) 4.182 10.944 ( -4.256 -8.121 -1.867) 9.357 10.944 ( -4.256 8.121 -1.867) 9.357 11.442 ( 0.391 -1.340 -0.307) 1.430 11.442 ( 0.391 1.340 -0.307) 1.430 11.742 ( 0.334 -4.207 6.588) 7.824 11.742 ( 0.334 4.207 6.588) 7.824 12.011 ( 1.885 -7.957 1.823) 8.378 12.011 ( 1.885 7.957 1.823) 8.378 12.567 ( 2.604 -6.418 -3.626) 7.818 12.567 ( 2.604 6.418 -3.626) 7.818 13.079 ( -1.409 -1.333 9.474) 9.670 13.079 ( -1.409 1.333 9.474) 9.670 13.448 ( 0.713 -1.993 -0.873) 2.290 13.448 ( 0.713 1.993 -0.873) 2.290 13.649 ( 3.197 -4.951 10.362) 11.921 13.649 ( 3.197 4.951 10.362) 11.921 14.033 ( 0.100 -4.657 2.457) 5.266 14.033 ( 0.100 4.657 2.457) 5.266 14.198 ( -4.491 -12.105 -12.738) 18.137 14.198 ( -4.491 12.105 -12.738) 18.137 14.660 ( 0.053 -2.754 -1.182) 2.998 14.660 ( 0.053 2.754 -1.182) 2.998 15.172 ( 1.250 -2.266 0.764) 2.698 15.172 ( 1.250 2.266 0.764) 2.698 15.554 ( -3.780 -4.364 -2.929) 6.474 15.554 ( -3.780 4.364 -2.929) 6.474 15.691 ( 1.195 -4.989 0.581) 5.163 15.691 ( 1.195 4.989 0.581) 5.163 16.051 ( 3.033 -3.585 1.929) 5.076 16.051 ( 3.033 3.585 1.929) 5.076 17.157 ( 0.125 -9.678 5.698) 11.231 17.157 ( 0.125 9.678 5.698) 11.231 17.552 ( 4.804 -12.977 -7.653) 15.813 17.552 ( 4.804 12.977 -7.653) 15.813 20.815 ( 5.117 -4.314 -3.356) 7.487 20.815 ( 5.117 4.314 -3.356) 7.487 21.038 ( 4.247 -6.613 0.647) 7.886 21.038 ( 4.247 6.613 0.647) 7.886 23.700 ( 0.884 -0.625 0.514) 1.198 23.700 ( 0.884 0.625 0.514) 1.198 23.805 ( 0.345 -1.638 -0.541) 1.759 23.805 ( 0.345 1.638 -0.541) 1.759 24.053 ( -1.033 -2.472 3.040) 4.052 24.053 ( -1.033 2.472 3.040) 4.052 24.246 ( 2.951 -2.247 0.153) 3.713 24.246 ( 2.951 2.247 0.153) 3.713 24.768 ( -1.009 -3.102 0.999) 3.412 24.768 ( -1.009 3.102 0.999) 3.412 24.916 ( -1.180 -3.433 0.562) 3.673 24.916 ( -1.180 3.433 0.562) 3.673 25.525 ( -1.017 -2.172 -0.139) 2.403 25.525 ( -1.017 2.172 -0.139) 2.403 25.673 ( 1.178 -1.869 -2.143) 3.078 25.673 ( 1.178 1.869 -2.143) 3.078 26.001 ( 1.741 -3.039 7.286) 8.084 26.001 ( 1.741 3.039 7.286) 8.084 26.387 ( 1.789 -1.578 -3.565) 4.290 26.387 ( 1.789 1.578 -3.565) 4.290 27.178 ( 5.448 -6.650 -1.928) 8.811 27.178 ( 5.448 6.650 -1.928) 8.811 28.093 ( -12.262 -0.907 -0.146) 12.296 28.093 ( -12.262 0.907 -0.146) 12.296 ======================= Grid point 93 (48/84) ======================= q-point: ( 0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -1.467 -4.506 8.874) 10.060 2.251 ( -1.467 4.506 8.874) 10.060 2.548 ( 7.110 -4.669 13.395) 15.867 2.548 ( 7.110 4.669 13.395) 15.867 2.831 ( 3.223 -4.335 -6.522) 8.468 2.831 ( 3.223 4.335 -6.522) 8.468 3.172 ( 2.517 -3.704 -4.689) 6.484 3.172 ( 2.517 3.704 -4.689) 6.484 3.435 ( 4.334 -6.696 -3.483) 8.703 3.435 ( 4.334 6.696 -3.483) 8.703 3.597 ( 0.685 -6.162 -4.494) 7.657 3.597 ( 0.685 6.162 -4.494) 7.657 3.806 ( -7.154 -3.335 2.828) 8.385 3.806 ( -7.154 3.335 2.828) 8.385 3.930 ( -2.083 -6.243 4.069) 7.738 3.930 ( -2.083 6.243 4.069) 7.738 4.325 ( 1.004 -2.781 1.610) 3.366 4.325 ( 1.004 2.781 1.610) 3.366 4.414 ( -1.095 -4.823 8.529) 9.859 4.414 ( -1.095 4.823 8.529) 9.859 4.650 ( -3.499 -4.081 -2.278) 5.838 4.650 ( -3.499 4.081 -2.278) 5.838 4.819 ( -8.048 -2.837 1.592) 8.681 4.819 ( -8.048 2.837 1.592) 8.681 5.474 ( -3.114 -5.251 1.413) 6.267 5.474 ( -3.114 5.251 1.413) 6.267 5.719 ( -3.825 -3.846 2.716) 6.066 5.719 ( -3.825 3.846 2.716) 6.066 5.869 ( -4.750 -8.098 -4.724) 10.510 5.869 ( -4.750 8.098 -4.724) 10.510 6.006 ( -2.758 -6.240 4.046) 7.932 6.006 ( -2.758 6.240 4.046) 7.932 6.139 ( -0.295 -8.331 -7.021) 10.899 6.139 ( -0.295 8.331 -7.021) 10.899 6.555 ( 0.574 -2.248 -3.823) 4.472 6.555 ( 0.574 2.248 -3.823) 4.472 6.676 ( 6.119 -5.048 -2.518) 8.323 6.676 ( 6.119 5.048 -2.518) 8.323 6.923 ( 2.438 -8.395 -5.542) 10.351 6.923 ( 2.438 8.395 -5.542) 10.351 7.085 ( 2.775 -0.687 0.228) 2.868 7.085 ( 2.775 0.687 0.228) 2.868 7.254 ( 3.068 -2.840 6.836) 8.013 7.254 ( 3.068 2.840 6.836) 8.013 7.523 ( 0.905 -0.572 1.608) 1.931 7.523 ( 0.905 0.572 1.608) 1.931 7.728 ( -1.798 -2.636 -6.177) 6.952 7.728 ( -1.798 2.636 -6.177) 6.952 8.055 ( 0.406 -6.880 2.134) 7.214 8.055 ( 0.406 6.880 2.134) 7.214 8.298 ( 1.935 -7.037 3.869) 8.261 8.298 ( 1.935 7.037 3.869) 8.261 8.570 ( 1.006 -4.962 -8.647) 10.020 8.570 ( 1.006 4.962 -8.647) 10.020 8.835 ( -1.515 -2.039 5.320) 5.895 8.835 ( -1.515 2.039 5.320) 5.895 9.043 ( 1.257 -8.022 -2.163) 8.403 9.043 ( 1.257 8.022 -2.163) 8.403 9.357 ( -2.615 -1.276 -5.061) 5.838 9.357 ( -2.615 1.276 -5.061) 5.838 9.507 ( 1.078 -5.494 7.769) 9.576 9.507 ( 1.078 5.494 7.769) 9.576 9.783 ( 1.465 -5.217 6.876) 8.755 9.783 ( 1.465 5.217 6.876) 8.755 10.368 ( -1.371 -4.999 -5.302) 7.414 10.368 ( -1.371 4.999 -5.302) 7.414 10.574 ( 4.021 -2.678 -1.525) 5.066 10.574 ( 4.021 2.678 -1.525) 5.066 10.765 ( 1.744 -2.896 -1.821) 3.839 10.765 ( 1.744 2.896 -1.821) 3.839 10.915 ( 0.263 -12.322 3.259) 12.748 10.915 ( 0.263 12.322 3.259) 12.748 11.432 ( -1.003 -1.766 -1.502) 2.526 11.432 ( -1.003 1.766 -1.502) 2.526 11.729 ( -3.586 -9.638 4.352) 11.167 11.729 ( -3.586 9.638 4.352) 11.167 12.071 ( 3.110 -5.212 -0.761) 6.117 12.071 ( 3.110 5.212 -0.761) 6.117 12.610 ( 3.664 -7.951 -3.743) 9.521 12.610 ( 3.664 7.951 -3.743) 9.521 13.049 ( -5.176 -4.611 0.560) 6.955 13.049 ( -5.176 4.611 0.560) 6.955 13.440 ( -0.592 -6.449 -5.820) 8.708 13.440 ( -0.592 6.449 -5.820) 8.708 13.720 ( -0.481 -3.138 3.528) 4.746 13.720 ( -0.481 3.138 3.528) 4.746 13.917 ( -5.154 -3.173 -3.596) 7.040 13.917 ( -5.154 3.173 -3.596) 7.040 14.252 ( 7.209 -10.226 4.322) 13.238 14.252 ( 7.209 10.226 4.322) 13.238 14.684 ( 2.134 -4.491 2.400) 5.521 14.684 ( 2.134 4.491 2.400) 5.521 15.184 ( -0.507 -1.620 -0.075) 1.699 15.184 ( -0.507 1.620 -0.075) 1.699 15.461 ( -3.915 -2.990 -1.728) 5.221 15.461 ( -3.915 2.990 -1.728) 5.221 15.713 ( 0.693 -7.415 1.814) 7.665 15.713 ( 0.693 7.415 1.814) 7.665 16.105 ( 1.748 -4.002 0.713) 4.425 16.105 ( 1.748 4.002 0.713) 4.425 17.179 ( -1.892 -10.015 6.331) 11.999 17.179 ( -1.892 10.015 6.331) 11.999 17.612 ( 6.358 -14.315 -7.474) 17.355 17.612 ( 6.358 14.315 -7.474) 17.355 20.855 ( 2.212 -5.558 -6.605) 8.911 20.855 ( 2.212 5.558 -6.605) 8.911 21.145 ( 5.055 -9.473 5.870) 12.237 21.145 ( 5.055 9.473 5.870) 12.237 23.714 ( 0.258 -0.593 0.477) 0.803 23.714 ( 0.258 0.593 0.477) 0.803 23.809 ( 0.101 -1.266 0.697) 1.448 23.809 ( 0.101 1.266 0.697) 1.448 24.046 ( -1.033 -1.865 1.306) 2.500 24.046 ( -1.033 1.865 1.306) 2.500 24.298 ( 2.561 -1.970 -1.014) 3.387 24.298 ( 2.561 1.970 -1.014) 3.387 24.711 ( -3.186 -4.834 -5.157) 7.753 24.711 ( -3.186 4.834 -5.157) 7.753 24.924 ( -0.074 -0.296 4.832) 4.841 24.924 ( -0.074 0.296 4.832) 4.841 25.511 ( -0.358 -1.089 -0.039) 1.147 25.511 ( -0.358 1.089 -0.039) 1.147 25.676 ( 0.788 -2.439 -2.670) 3.701 25.676 ( 0.788 2.439 -2.670) 3.701 26.052 ( -0.206 -2.979 5.147) 5.950 26.052 ( -0.206 2.979 5.147) 5.950 26.408 ( 2.097 -2.032 -2.288) 3.709 26.408 ( 2.097 2.032 -2.288) 3.709 27.290 ( 7.492 -4.370 -1.004) 8.731 27.290 ( 7.492 4.370 -1.004) 8.731 27.871 ( -11.436 -0.757 0.271) 11.465 27.871 ( -11.436 0.757 0.271) 11.465 ======================= Grid point 95 (49/84) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -3.154 -0.508 7.991) 8.606 2.259 ( -3.154 0.508 7.991) 8.606 2.588 ( -8.782 -5.007 8.297) 13.078 2.588 ( -8.782 5.007 8.297) 13.078 2.918 ( 7.209 -8.164 2.843) 11.257 2.918 ( 7.209 8.164 2.843) 11.257 3.240 ( 6.093 -6.042 -7.919) 11.677 3.240 ( 6.093 6.042 -7.919) 11.677 3.436 ( -2.526 -5.793 -5.162) 8.160 3.436 ( -2.526 5.793 -5.162) 8.160 3.557 ( -0.646 -2.693 -0.535) 2.821 3.557 ( -0.646 2.693 -0.535) 2.821 3.722 ( 0.329 -5.243 -0.424) 5.270 3.722 ( 0.329 5.243 -0.424) 5.270 3.933 ( -1.866 -5.234 3.398) 6.514 3.933 ( -1.866 5.234 3.398) 6.514 4.313 ( -4.019 -4.583 1.697) 6.327 4.313 ( -4.019 4.583 1.697) 6.327 4.439 ( -4.018 -1.375 8.164) 9.203 4.439 ( -4.018 1.375 8.164) 9.203 4.661 ( 6.795 -8.390 -0.068) 10.796 4.661 ( 6.795 8.390 -0.068) 10.796 4.828 ( 6.641 -3.796 8.327) 11.307 4.828 ( 6.641 3.796 8.327) 11.307 5.377 ( -6.810 -5.234 -3.687) 9.346 5.377 ( -6.810 5.234 -3.687) 9.346 5.637 ( -4.316 -8.647 -0.010) 9.664 5.637 ( -4.316 8.647 -0.010) 9.664 5.785 ( -1.007 -2.651 -9.267) 9.691 5.785 ( -1.007 2.651 -9.267) 9.691 5.993 ( 0.219 -3.257 2.341) 4.017 5.993 ( 0.219 3.257 2.341) 4.017 6.121 ( 1.606 -6.835 -4.585) 8.385 6.121 ( 1.606 6.835 -4.585) 8.385 6.495 ( -2.541 -4.780 -8.152) 9.785 6.495 ( -2.541 4.780 -8.152) 9.785 6.681 ( -2.703 -3.095 -0.541) 4.145 6.681 ( -2.703 3.095 -0.541) 4.145 6.927 ( 1.006 -4.631 -4.228) 6.351 6.927 ( 1.006 4.631 -4.228) 6.351 7.199 ( 5.149 -1.527 3.649) 6.493 7.199 ( 5.149 1.527 3.649) 6.493 7.349 ( -1.888 -5.658 5.144) 7.877 7.349 ( -1.888 5.658 5.144) 7.877 7.518 ( 2.609 -3.198 2.858) 5.020 7.518 ( 2.609 3.198 2.858) 5.020 7.702 ( 1.969 -3.603 -2.510) 4.812 7.702 ( 1.969 3.603 -2.510) 4.812 8.004 ( -3.825 -4.915 -5.994) 8.644 8.004 ( -3.825 4.915 -5.994) 8.644 8.321 ( -3.649 -2.103 3.366) 5.391 8.321 ( -3.649 2.103 3.366) 5.391 8.569 ( 4.288 -7.297 -8.010) 11.653 8.569 ( 4.288 7.297 -8.010) 11.653 8.840 ( -0.590 -3.435 5.877) 6.833 8.840 ( -0.590 3.435 5.877) 6.833 9.119 ( 5.786 -11.931 2.525) 13.499 9.119 ( 5.786 11.931 2.525) 13.499 9.273 ( -2.028 -6.210 -3.597) 7.457 9.273 ( -2.028 6.210 -3.597) 7.457 9.550 ( 0.331 -6.275 8.495) 10.567 9.550 ( 0.331 6.275 8.495) 10.567 9.949 ( 7.325 -9.308 12.604) 17.296 9.949 ( 7.325 9.308 12.604) 17.296 10.290 ( -1.939 -5.644 -9.879) 11.542 10.290 ( -1.939 5.644 -9.879) 11.542 10.608 ( 0.434 -1.994 0.127) 2.045 10.608 ( 0.434 1.994 0.127) 2.045 10.811 ( 3.839 -1.565 1.928) 4.572 10.811 ( 3.839 1.565 1.928) 4.572 10.949 ( -0.472 -10.646 6.777) 12.629 10.949 ( -0.472 10.646 6.777) 12.629 11.387 ( -2.019 -0.810 -3.520) 4.138 11.387 ( -2.019 0.810 -3.520) 4.138 11.688 ( -2.877 -7.829 -1.395) 8.457 11.688 ( -2.877 7.829 -1.395) 8.457 12.093 ( -0.183 -4.475 -0.216) 4.484 12.093 ( -0.183 4.475 -0.216) 4.484 12.640 ( 1.910 -9.106 -3.567) 9.964 12.640 ( 1.910 9.106 -3.567) 9.964 12.926 ( -6.568 -5.096 -2.900) 8.804 12.926 ( -6.568 5.096 -2.900) 8.804 13.300 ( -7.196 -11.795 -15.171) 20.520 13.300 ( -7.196 11.795 -15.171) 20.520 13.717 ( -0.257 -7.033 2.772) 7.564 13.717 ( -0.257 7.033 2.772) 7.564 13.906 ( 2.841 -3.810 -0.018) 4.753 13.906 ( 2.841 3.810 -0.018) 4.753 14.396 ( 4.055 -4.755 8.037) 10.180 14.396 ( 4.055 4.755 8.037) 10.180 14.747 ( 1.703 -6.839 4.894) 8.581 14.747 ( 1.703 6.839 4.894) 8.581 15.156 ( -1.726 -1.939 -1.256) 2.884 15.156 ( -1.726 1.939 -1.256) 2.884 15.418 ( 0.547 -2.760 -1.360) 3.125 15.418 ( 0.547 2.760 -1.360) 3.125 15.741 ( 0.717 -7.448 2.733) 7.966 15.741 ( 0.717 7.448 2.733) 7.966 16.128 ( 1.000 -5.428 0.040) 5.519 16.128 ( 1.000 5.428 0.040) 5.519 17.150 ( -4.989 -9.843 4.972) 12.103 17.150 ( -4.989 9.843 4.972) 12.103 17.683 ( 5.077 -14.338 -5.459) 16.161 17.683 ( 5.077 14.338 -5.459) 16.161 20.830 ( -0.482 -5.468 -6.412) 8.441 20.830 ( -0.482 5.468 -6.412) 8.441 21.258 ( 2.692 -11.507 7.093) 13.783 21.258 ( 2.692 11.507 7.093) 13.783 23.712 ( -0.709 -0.476 0.147) 0.867 23.712 ( -0.709 0.476 0.147) 0.867 23.818 ( -0.042 -1.244 2.374) 2.680 23.818 ( -0.042 1.244 2.374) 2.680 24.033 ( -0.891 -3.131 0.172) 3.260 24.033 ( -0.891 3.131 0.172) 3.260 24.307 ( -0.723 -2.499 -3.019) 3.985 24.307 ( -0.723 2.499 -3.019) 3.985 24.625 ( -2.210 -5.174 -5.828) 8.101 24.625 ( -2.210 5.174 -5.828) 8.101 24.961 ( 1.102 -1.276 4.893) 5.176 24.961 ( 1.102 1.276 4.893) 5.176 25.512 ( 0.320 -1.169 0.383) 1.271 25.512 ( 0.320 1.169 0.383) 1.271 25.670 ( 0.151 -2.172 -2.969) 3.682 25.670 ( 0.151 2.172 -2.969) 3.682 26.055 ( -2.044 -2.607 3.786) 5.030 26.055 ( -2.044 2.607 3.786) 5.030 26.428 ( 1.164 -1.909 -1.577) 2.736 26.428 ( 1.164 1.909 -1.577) 2.736 27.391 ( 1.653 -6.365 -0.255) 6.581 27.391 ( 1.653 6.365 -0.255) 6.581 27.738 ( -0.892 -2.898 0.179) 3.037 27.738 ( -0.892 2.898 0.179) 3.037 ======================= Grid point 97 (50/84) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -9.540 -5.662 5.972) 12.599 2.190 ( -9.540 5.662 5.972) 12.599 2.498 ( -5.195 -11.224 13.261) 18.133 2.498 ( -5.195 11.224 13.261) 18.133 3.020 ( -1.895 -3.337 0.242) 3.845 3.020 ( -1.895 3.337 0.242) 3.845 3.119 ( -5.674 -3.200 -10.423) 12.292 3.119 ( -5.674 3.200 -10.423) 12.292 3.420 ( 0.426 -2.658 -2.386) 3.597 3.420 ( 0.426 2.658 -2.386) 3.597 3.607 ( 2.599 -9.083 2.997) 9.912 3.607 ( 2.599 9.083 2.997) 9.912 3.761 ( 3.861 -0.913 -4.188) 5.769 3.761 ( 3.861 0.913 -4.188) 5.769 3.926 ( -0.669 -4.294 4.599) 6.327 3.926 ( -0.669 4.294 4.599) 6.327 4.256 ( -1.920 -3.662 1.293) 4.333 4.256 ( -1.920 3.662 1.293) 4.333 4.384 ( -3.050 -1.759 5.148) 6.237 4.384 ( -3.050 1.759 5.148) 6.237 4.863 ( 11.797 -3.744 7.273) 14.356 4.863 ( 11.797 3.744 7.273) 14.356 5.071 ( 11.310 -3.343 8.415) 14.488 5.071 ( 11.310 3.343 8.415) 14.488 5.246 ( -2.285 -4.269 -6.206) 7.872 5.246 ( -2.285 4.269 -6.206) 7.872 5.541 ( -4.397 -4.028 -4.269) 7.334 5.541 ( -4.397 4.028 -4.269) 7.334 5.739 ( 1.522 -6.513 -9.729) 11.807 5.739 ( 1.522 6.513 -9.729) 11.807 6.039 ( 4.227 -3.963 -2.215) 6.203 6.039 ( 4.227 3.963 -2.215) 6.203 6.160 ( 3.846 -5.715 2.454) 7.312 6.160 ( 3.846 5.715 2.454) 7.312 6.405 ( -2.326 -5.825 -5.268) 8.191 6.405 ( -2.326 5.825 -5.268) 8.191 6.634 ( -2.762 -0.356 0.493) 2.828 6.634 ( -2.762 0.356 0.493) 2.828 6.894 ( -3.256 -6.211 -1.342) 7.139 6.894 ( -3.256 6.211 -1.342) 7.139 7.141 ( -9.003 -2.179 -3.188) 9.796 7.141 ( -9.003 2.179 -3.188) 9.796 7.315 ( -1.994 -7.199 1.853) 7.697 7.315 ( -1.994 7.199 1.853) 7.697 7.623 ( 0.304 -3.627 6.293) 7.270 7.623 ( 0.304 3.627 6.293) 7.270 7.795 ( 8.143 -2.882 -0.340) 8.645 7.795 ( 8.143 2.882 -0.340) 8.645 7.897 ( -2.609 -1.334 -5.341) 6.092 7.897 ( -2.609 1.334 -5.341) 6.092 8.201 ( -7.174 -8.451 -4.366) 11.914 8.201 ( -7.174 8.451 -4.366) 11.914 8.610 ( 3.049 -4.010 -1.306) 5.204 8.610 ( 3.049 4.010 -1.306) 5.204 8.890 ( 1.132 -2.204 5.193) 5.754 8.890 ( 1.132 2.204 5.193) 5.754 9.214 ( 2.518 -8.746 -0.933) 9.149 9.214 ( 2.518 8.746 -0.933) 9.149 9.293 ( 5.528 -6.157 2.265) 8.579 9.293 ( 5.528 6.157 2.265) 8.579 9.657 ( 5.904 -6.083 9.397) 12.656 9.657 ( 5.904 6.083 9.397) 12.656 10.074 ( -0.968 -5.149 3.374) 6.231 10.074 ( -0.968 5.149 3.374) 6.231 10.229 ( 1.708 -6.434 -4.529) 8.052 10.229 ( 1.708 6.434 -4.529) 8.052 10.587 ( -2.498 -3.918 -1.277) 4.819 10.587 ( -2.498 3.918 -1.277) 4.819 10.921 ( 1.280 -7.080 4.361) 8.413 10.921 ( 1.280 7.080 4.361) 8.413 10.966 ( 0.796 -3.386 9.376) 10.001 10.966 ( 0.796 3.386 9.376) 10.001 11.344 ( 0.270 -2.092 -4.728) 5.177 11.344 ( 0.270 2.092 -4.728) 5.177 11.559 ( -7.354 -4.140 -10.081) 13.147 11.559 ( -7.354 4.140 -10.081) 13.147 12.076 ( -2.415 -4.329 2.223) 5.433 12.076 ( -2.415 4.329 2.223) 5.433 12.640 ( -0.141 -6.630 -1.657) 6.836 12.640 ( -0.141 6.630 -1.657) 6.836 12.824 ( -3.065 -3.749 1.442) 5.053 12.824 ( -3.065 3.749 1.442) 5.053 13.092 ( -4.868 -8.621 -14.951) 17.932 13.092 ( -4.868 8.621 -14.951) 17.932 13.729 ( -0.750 -5.599 2.978) 6.386 13.729 ( -0.750 5.599 2.978) 6.386 13.964 ( 3.195 -5.439 -0.861) 6.367 13.964 ( 3.195 5.439 -0.861) 6.367 14.482 ( 0.943 -2.226 6.235) 6.687 14.482 ( 0.943 2.226 6.235) 6.687 14.781 ( -0.415 -3.140 3.626) 4.815 14.781 ( -0.415 3.140 3.626) 4.815 15.116 ( -1.684 -1.859 -2.005) 3.211 15.116 ( -1.684 1.859 -2.005) 3.211 15.470 ( 5.328 -6.070 -0.670) 8.104 15.470 ( 5.328 6.070 -0.670) 8.104 15.758 ( -0.418 -4.586 1.943) 4.998 15.758 ( -0.418 4.586 1.943) 4.998 16.151 ( 0.790 -5.198 1.583) 5.491 16.151 ( 0.790 5.198 1.583) 5.491 17.065 ( -6.039 -10.329 2.427) 12.209 17.065 ( -6.039 10.329 2.427) 12.209 17.719 ( 1.510 -12.993 -3.683) 13.589 17.719 ( 1.510 12.993 -3.683) 13.589 20.776 ( -1.716 -5.060 -4.542) 7.013 20.776 ( -1.716 5.060 -4.542) 7.013 21.301 ( -2.223 -13.029 4.890) 14.093 21.301 ( -2.223 13.029 4.890) 14.093 23.694 ( -1.128 -1.124 -0.027) 1.592 23.694 ( -1.128 1.124 -0.027) 1.592 23.834 ( -0.315 -1.738 4.088) 4.453 23.834 ( -0.315 1.738 4.088) 4.453 24.014 ( -1.059 -4.335 -0.545) 4.496 24.014 ( -1.059 4.335 -0.545) 4.496 24.247 ( -2.907 -4.082 -3.908) 6.356 24.247 ( -2.907 4.082 -3.908) 6.356 24.573 ( -0.508 -4.095 -4.252) 5.924 24.573 ( -0.508 4.095 -4.252) 5.924 25.017 ( 2.086 -2.732 4.134) 5.376 25.017 ( 2.086 2.732 4.134) 5.376 25.522 ( 0.378 -1.965 0.390) 2.038 25.522 ( 0.378 1.965 0.390) 2.038 25.640 ( -1.439 -0.967 -3.497) 3.903 25.640 ( -1.439 0.967 -3.497) 3.903 26.029 ( -3.127 -2.771 3.944) 5.745 26.029 ( -3.127 2.771 3.944) 5.745 26.432 ( 0.327 -1.647 -1.482) 2.239 26.432 ( 0.327 1.647 -1.482) 2.239 27.329 ( -6.061 -10.559 -0.232) 12.177 27.329 ( -6.061 10.559 -0.232) 12.177 27.859 ( 11.649 -5.516 0.059) 12.889 27.859 ( 11.649 5.516 0.059) 12.889 ======================= Grid point 99 (51/84) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -10.981 -15.127 5.747) 19.556 2.026 ( -10.981 15.127 5.747) 19.556 2.508 ( -5.927 -24.589 13.919) 28.870 2.508 ( -5.927 24.589 13.919) 28.870 2.830 ( -5.498 -0.994 -4.351) 7.081 2.830 ( -5.498 0.994 -4.351) 7.081 3.112 ( 0.815 -3.441 -2.253) 4.193 3.112 ( 0.815 3.441 -2.253) 4.193 3.355 ( -6.299 -11.785 -1.800) 13.483 3.355 ( -6.299 11.785 -1.800) 13.483 3.549 ( -7.827 -7.675 -1.849) 11.117 3.549 ( -7.827 7.675 -1.849) 11.117 3.824 ( 2.232 -7.502 -0.844) 7.872 3.824 ( 2.232 7.502 -0.844) 7.872 3.974 ( 4.839 -3.308 3.109) 6.635 3.974 ( 4.839 3.308 3.109) 6.635 4.260 ( 2.281 -4.804 3.626) 6.436 4.260 ( 2.281 4.804 3.626) 6.436 4.480 ( 8.311 -2.303 4.409) 9.686 4.480 ( 8.311 2.303 4.409) 9.686 5.034 ( -0.626 -6.096 -3.011) 6.828 5.034 ( -0.626 6.096 -3.011) 6.828 5.215 ( 9.738 -3.702 5.911) 11.978 5.215 ( 9.738 3.702 5.911) 11.978 5.312 ( 4.800 -8.658 -4.521) 10.883 5.312 ( 4.800 8.658 -4.521) 10.883 5.552 ( 8.200 -7.672 7.766) 13.653 5.552 ( 8.200 7.672 7.766) 13.653 5.718 ( 2.372 -5.661 -8.147) 10.200 5.718 ( 2.372 5.661 -8.147) 10.200 6.088 ( 1.389 -5.238 -2.643) 6.029 6.088 ( 1.389 5.238 -2.643) 6.029 6.250 ( 1.636 -5.596 0.824) 5.888 6.250 ( 1.636 5.596 0.824) 5.888 6.378 ( 2.353 -8.923 0.406) 9.237 6.378 ( 2.353 8.923 0.406) 9.237 6.555 ( -5.553 -2.572 -1.192) 6.234 6.555 ( -5.553 2.572 -1.192) 6.234 6.812 ( -4.943 -10.551 1.012) 11.695 6.812 ( -4.943 10.551 1.012) 11.695 6.984 ( -3.816 -2.851 -4.404) 6.487 6.984 ( -3.816 2.851 -4.404) 6.487 7.276 ( -3.637 -5.573 2.354) 7.058 7.276 ( -3.637 5.573 2.354) 7.058 7.611 ( -3.136 -5.224 0.751) 6.139 7.611 ( -3.136 5.224 0.751) 6.139 7.730 ( -4.185 -3.861 -6.849) 8.907 7.730 ( -4.185 3.861 -6.849) 8.907 8.005 ( 4.886 -7.618 0.875) 9.092 8.005 ( 4.886 7.618 0.875) 9.092 8.089 ( -1.064 -6.002 -1.371) 6.248 8.089 ( -1.064 6.002 -1.371) 6.248 8.676 ( 3.308 -3.704 4.570) 6.749 8.676 ( 3.308 3.704 4.570) 6.749 8.881 ( -4.090 -5.166 -0.777) 6.635 8.881 ( -4.090 5.166 -0.777) 6.635 9.219 ( -0.255 -8.003 -2.208) 8.306 9.219 ( -0.255 8.003 -2.208) 8.306 9.461 ( 9.857 -6.435 3.214) 12.203 9.461 ( 9.857 6.435 3.214) 12.203 9.840 ( 7.738 -3.807 5.645) 10.307 9.840 ( 7.738 3.807 5.645) 10.307 9.998 ( -4.645 -2.897 -4.416) 7.034 9.998 ( -4.645 2.897 -4.416) 7.034 10.264 ( 1.649 -6.628 1.231) 6.940 10.264 ( 1.649 6.628 1.231) 6.940 10.512 ( -4.090 -6.507 -2.310) 8.025 10.512 ( -4.090 6.507 -2.310) 8.025 10.822 ( -10.585 -3.810 0.501) 11.261 10.822 ( -10.585 3.810 0.501) 11.261 11.020 ( -4.516 -3.578 -4.491) 7.305 11.020 ( -4.516 3.578 -4.491) 7.305 11.337 ( 3.263 -3.915 1.493) 5.311 11.337 ( 3.263 3.915 1.493) 5.311 11.457 ( 2.391 -1.282 -1.994) 3.367 11.457 ( 2.391 1.282 -1.994) 3.367 12.029 ( -3.967 -8.061 3.015) 9.476 12.029 ( -3.967 8.061 3.015) 9.476 12.627 ( 0.160 -3.335 -2.565) 4.210 12.627 ( 0.160 3.335 -2.565) 4.210 12.835 ( 0.960 -2.178 5.363) 5.868 12.835 ( 0.960 2.178 5.363) 5.868 12.981 ( -0.600 -1.618 -4.489) 4.809 12.981 ( -0.600 1.618 -4.489) 4.809 13.713 ( -2.588 -4.422 1.704) 5.400 13.713 ( -2.588 4.422 1.704) 5.400 14.002 ( 1.054 -5.533 0.421) 5.648 14.002 ( 1.054 5.533 0.421) 5.648 14.513 ( 1.079 -1.559 0.385) 1.934 14.513 ( 1.079 1.559 0.385) 1.934 14.792 ( 0.236 -2.706 1.071) 2.920 14.792 ( 0.236 2.706 1.071) 2.920 15.075 ( -1.295 -1.127 -2.099) 2.711 15.075 ( -1.295 1.127 -2.099) 2.711 15.564 ( 4.291 -6.540 -0.477) 7.836 15.564 ( 4.291 6.540 -0.477) 7.836 15.750 ( -1.134 -1.304 0.046) 1.729 15.750 ( -1.134 1.304 0.046) 1.729 16.152 ( -2.967 -0.845 3.813) 4.905 16.152 ( -2.967 0.845 3.813) 4.905 16.992 ( -2.040 -11.427 0.448) 11.616 16.992 ( -2.040 11.427 0.448) 11.616 17.693 ( -2.117 -9.510 -3.151) 10.240 17.693 ( -2.117 9.510 -3.151) 10.240 20.727 ( -1.262 -4.685 -2.399) 5.412 20.727 ( -1.262 4.685 -2.399) 5.412 21.229 ( -7.206 -12.176 0.685) 14.165 21.229 ( -7.206 12.176 0.685) 14.165 23.676 ( -0.792 -1.717 -0.033) 1.891 23.676 ( -0.792 1.717 -0.033) 1.891 23.848 ( -1.007 -1.819 4.195) 4.682 23.848 ( -1.007 1.819 4.195) 4.682 23.991 ( -1.128 -3.631 0.310) 3.815 23.991 ( -1.128 3.631 0.310) 3.815 24.186 ( -1.453 -4.226 -2.101) 4.938 24.186 ( -1.453 4.226 -2.101) 4.938 24.556 ( 0.726 -3.245 -1.954) 3.857 24.556 ( 0.726 3.245 -1.954) 3.857 25.066 ( 0.660 -3.570 2.557) 4.441 25.066 ( 0.660 3.570 2.557) 4.441 25.525 ( -0.096 -1.882 -0.088) 1.886 25.525 ( -0.096 1.882 -0.088) 1.886 25.593 ( -1.323 -0.607 -2.404) 2.811 25.593 ( -1.323 0.607 -2.404) 2.811 25.988 ( -4.052 -2.711 4.290) 6.494 25.988 ( -4.052 2.711 4.290) 6.494 26.427 ( 0.206 -2.741 -1.715) 3.240 26.427 ( 0.206 2.741 -1.715) 3.240 27.223 ( -4.748 -12.455 -0.978) 13.365 27.223 ( -4.748 12.455 -0.978) 13.365 28.092 ( 13.098 -3.912 -0.170) 13.671 28.092 ( 13.098 3.912 -0.170) 13.671 ======================= Grid point 101 (52/84) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -6.887 -21.384 5.535) 23.137 1.889 ( -6.887 21.384 5.535) 23.137 2.412 ( -7.648 -25.973 5.918) 27.715 2.412 ( -7.648 25.973 5.918) 27.715 2.848 ( 1.157 -3.967 6.191) 7.443 2.848 ( 1.157 3.967 6.191) 7.443 3.064 ( -5.101 -3.872 1.408) 6.557 3.064 ( -5.101 3.872 1.408) 6.557 3.219 ( -5.147 -13.355 -1.501) 14.391 3.219 ( -5.147 13.355 -1.501) 14.391 3.432 ( 0.413 -7.110 -5.361) 8.914 3.432 ( 0.413 7.110 -5.361) 8.914 3.822 ( -1.810 -2.482 1.457) 3.399 3.822 ( -1.810 2.482 1.457) 3.399 4.096 ( 4.033 -8.684 2.092) 9.801 4.096 ( 4.033 8.684 2.092) 9.801 4.362 ( 4.293 -3.224 6.184) 8.189 4.362 ( 4.293 3.224 6.184) 8.189 4.640 ( 5.828 -3.414 2.928) 7.361 4.640 ( 5.828 3.414 2.928) 7.361 4.942 ( -1.776 -8.263 -10.177) 13.229 4.942 ( -1.776 8.263 -10.177) 13.229 5.330 ( 2.620 -4.089 -2.327) 5.385 5.330 ( 2.620 4.089 -2.327) 5.385 5.469 ( 9.097 -1.487 9.351) 13.131 5.469 ( 9.097 1.487 9.351) 13.131 5.682 ( 1.099 -4.144 -1.992) 4.728 5.682 ( 1.099 4.144 -1.992) 4.728 5.866 ( 13.221 -7.512 8.074) 17.217 5.866 ( 13.221 7.512 8.074) 17.217 6.012 ( -7.649 -5.505 -6.126) 11.240 6.012 ( -7.649 5.505 -6.126) 11.240 6.182 ( -4.290 -1.355 -2.099) 4.965 6.182 ( -4.290 1.355 -2.099) 4.965 6.449 ( -0.628 -3.359 1.912) 3.916 6.449 ( -0.628 3.359 1.912) 3.916 6.501 ( 2.158 -5.687 0.927) 6.153 6.501 ( 2.158 5.687 0.927) 6.153 6.762 ( -0.539 -6.291 0.113) 6.315 6.762 ( -0.539 6.291 0.113) 6.315 6.957 ( 1.986 -2.209 -2.999) 4.221 6.957 ( 1.986 2.209 -2.999) 4.221 7.234 ( -1.878 -4.869 3.992) 6.570 7.234 ( -1.878 4.869 3.992) 6.570 7.535 ( -3.064 -3.546 -3.617) 5.919 7.535 ( -3.064 3.546 -3.617) 5.919 7.678 ( -0.682 -10.373 1.429) 10.494 7.678 ( -0.682 10.373 1.429) 10.494 7.973 ( -1.306 -7.443 -7.217) 10.449 7.973 ( -1.306 7.443 -7.217) 10.449 8.157 ( 2.977 -5.136 3.749) 7.021 8.157 ( 2.977 5.136 3.749) 7.021 8.696 ( -9.533 -2.297 5.154) 11.077 8.696 ( -9.533 2.297 5.154) 11.077 8.832 ( 5.990 -0.949 -2.975) 6.755 8.832 ( 5.990 0.949 -2.975) 6.755 9.190 ( -1.802 -7.342 -1.244) 7.661 9.190 ( -1.802 7.342 -1.244) 7.661 9.611 ( 3.835 -0.917 -4.277) 5.817 9.611 ( 3.835 0.917 -4.277) 5.817 9.775 ( -8.263 -4.752 -10.429) 14.129 9.775 ( -8.263 4.752 -10.429) 14.129 10.053 ( 6.055 -4.438 5.066) 9.056 10.053 ( 6.055 4.438 5.066) 9.056 10.313 ( 4.978 -4.096 -1.930) 6.729 10.313 ( 4.978 4.096 -1.930) 6.729 10.426 ( -5.128 -5.636 -0.830) 7.665 10.426 ( -5.128 5.636 -0.830) 7.665 10.591 ( -10.041 -2.379 -4.573) 11.287 10.591 ( -10.041 2.379 -4.573) 11.287 10.890 ( -3.695 -6.231 -0.960) 7.307 10.890 ( -3.695 6.231 -0.960) 7.307 11.447 ( 3.175 -3.481 5.092) 6.937 11.447 ( 3.175 3.481 5.092) 6.937 11.542 ( 5.938 -2.439 -0.110) 6.420 11.542 ( 5.938 2.439 -0.110) 6.420 11.978 ( -3.598 -7.518 4.102) 9.289 11.978 ( -3.598 7.518 4.102) 9.289 12.616 ( 1.274 -4.214 -6.531) 7.876 12.616 ( 1.274 4.214 -6.531) 7.876 12.883 ( 1.602 -0.922 5.750) 6.040 12.883 ( 1.602 0.922 5.750) 6.040 13.032 ( 2.464 -3.309 12.368) 13.038 13.032 ( 2.464 3.309 12.368) 13.038 13.656 ( -4.076 -3.097 0.180) 5.122 13.656 ( -4.076 3.097 0.180) 5.122 14.007 ( -0.984 -4.724 1.581) 5.078 14.007 ( -0.984 4.724 1.581) 5.078 14.544 ( 3.757 -1.014 -5.756) 6.948 14.544 ( 3.757 1.014 -5.756) 6.948 14.788 ( -0.797 -2.507 -1.820) 3.199 14.788 ( -0.797 2.507 -1.820) 3.199 15.063 ( 1.393 -2.143 -0.719) 2.655 15.063 ( 1.393 2.143 -0.719) 2.655 15.588 ( -1.760 -3.033 -1.374) 3.766 15.588 ( -1.760 3.033 -1.374) 3.766 15.715 ( -1.591 -2.431 -1.746) 3.389 15.715 ( -1.591 2.431 -1.746) 3.389 16.100 ( -4.367 -5.733 3.918) 8.203 16.100 ( -4.367 5.733 3.918) 8.203 17.005 ( 2.458 -10.510 0.931) 10.834 17.005 ( 2.458 10.510 0.931) 10.834 17.620 ( -3.276 -3.276 -3.521) 5.819 17.620 ( -3.276 3.276 -3.521) 5.819 20.708 ( 0.115 -4.748 -1.115) 4.878 20.708 ( 0.115 4.748 -1.115) 4.878 21.078 ( -7.617 -8.056 -2.606) 11.388 21.078 ( -7.617 8.056 -2.606) 11.388 23.666 ( -0.163 -1.901 -0.107) 1.911 23.666 ( -0.163 1.901 -0.107) 1.911 23.838 ( -1.532 -1.807 0.611) 2.446 23.838 ( -1.532 1.807 0.611) 2.446 23.991 ( -0.431 -3.177 4.587) 5.596 23.991 ( -0.431 3.177 4.587) 5.596 24.171 ( 0.185 -3.249 -0.038) 3.254 24.171 ( 0.185 3.249 -0.038) 3.254 24.584 ( 2.545 -3.316 1.573) 4.466 24.584 ( 2.545 3.316 1.573) 4.466 25.057 ( -2.413 -2.124 0.174) 3.219 25.057 ( -2.413 2.124 0.174) 3.219 25.533 ( 1.390 -1.241 0.406) 1.907 25.533 ( 1.390 1.241 0.406) 1.907 25.573 ( -0.177 -0.892 -0.489) 1.033 25.573 ( -0.177 0.892 -0.489) 1.033 25.936 ( -4.152 -1.975 4.510) 6.441 25.936 ( -4.152 1.975 4.510) 6.441 26.419 ( 0.191 -3.711 -2.412) 4.430 26.419 ( 0.191 3.711 -2.412) 4.430 27.151 ( -2.371 -13.156 -1.985) 13.515 27.151 ( -2.371 13.156 -1.985) 13.515 28.295 ( 8.754 -1.870 -0.850) 8.991 28.295 ( 8.754 1.870 -0.850) 8.991 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 7.865 0.000 30.845) 31.832 1.608 ( 3.288 0.000 31.360) 31.532 2.156 ( -1.954 0.000 -23.058) 23.141 2.324 ( -6.108 0.000 -22.476) 23.291 2.900 ( -8.075 0.000 8.624) 11.814 2.902 ( 4.857 0.000 27.494) 27.920 3.089 ( 4.897 0.000 -2.411) 5.458 3.119 ( 5.795 0.000 -5.453) 7.957 3.132 ( -6.688 0.000 12.165) 13.882 3.261 ( -1.149 0.000 20.334) 20.366 3.376 ( 8.072 0.000 -9.440) 12.421 3.638 ( -4.713 0.000 -0.921) 4.802 3.667 ( 1.112 0.000 1.654) 1.993 4.049 ( 1.244 0.000 -19.320) 19.360 4.063 ( 4.411 0.000 2.871) 5.263 4.288 ( -12.034 0.000 -22.796) 25.777 4.538 ( -12.659 0.000 7.601) 14.766 4.559 ( 7.574 0.000 4.120) 8.622 4.724 ( 2.423 0.000 0.537) 2.481 4.772 ( -0.420 0.000 -0.415) 0.590 4.917 ( -0.558 0.000 6.119) 6.144 5.043 ( 1.133 0.000 -4.131) 4.284 5.323 ( 6.686 0.000 0.647) 6.717 5.337 ( -13.456 0.000 8.157) 15.736 5.384 ( 3.430 0.000 2.257) 4.106 5.464 ( -7.573 0.000 -1.847) 7.795 5.483 ( 1.079 0.000 -2.779) 2.981 5.586 ( 9.281 0.000 -3.792) 10.026 5.764 ( -5.383 0.000 6.109) 8.143 5.766 ( 2.264 0.000 0.987) 2.469 5.859 ( 1.320 0.000 9.803) 9.892 6.046 ( 0.764 0.000 -12.207) 12.230 6.072 ( 5.972 0.000 -3.829) 7.094 6.166 ( 0.597 0.000 -0.043) 0.599 6.203 ( 2.432 0.000 -7.746) 8.119 6.251 ( -2.403 0.000 -8.352) 8.691 6.649 ( 7.188 0.000 3.724) 8.095 6.670 ( -7.791 0.000 0.396) 7.801 6.774 ( 0.981 0.000 -0.931) 1.353 6.801 ( 2.119 0.000 -5.015) 5.445 6.947 ( -2.873 0.000 -1.434) 3.211 7.007 ( -1.066 0.000 -4.439) 4.565 7.180 ( 2.994 0.000 3.162) 4.355 7.286 ( -4.976 0.000 -7.429) 8.941 7.493 ( -10.284 0.000 7.967) 13.009 7.570 ( 4.795 0.000 1.005) 4.899 7.890 ( 11.740 0.000 6.123) 13.241 7.987 ( -4.595 0.000 -0.345) 4.608 8.045 ( -3.119 0.000 -0.443) 3.151 8.070 ( -3.441 0.000 -4.087) 5.343 8.205 ( -3.738 0.000 8.718) 9.485 8.297 ( -1.705 0.000 0.723) 1.852 8.605 ( -3.521 0.000 -3.724) 5.125 8.642 ( 3.200 0.000 -5.385) 6.264 8.753 ( 2.909 0.000 6.244) 6.888 8.842 ( 3.264 0.000 1.110) 3.448 8.978 ( 15.040 0.000 4.559) 15.716 9.109 ( -12.184 0.000 -4.415) 12.959 9.323 ( 14.762 0.000 6.966) 16.323 9.425 ( -20.668 0.000 -1.330) 20.711 9.782 ( 13.075 0.000 6.371) 14.545 9.875 ( 2.628 0.000 -0.310) 2.646 9.928 ( -0.350 0.000 -3.848) 3.864 10.088 ( -7.595 0.000 -10.961) 13.335 10.189 ( -2.923 0.000 13.536) 13.848 10.422 ( -9.796 0.000 8.417) 12.916 10.507 ( 10.514 0.000 -7.854) 13.124 10.647 ( 2.985 0.000 -7.326) 7.911 10.725 ( -3.278 0.000 4.219) 5.343 10.774 ( 8.756 0.000 -6.158) 10.705 10.929 ( -5.886 0.000 -5.440) 8.015 10.933 ( 4.690 0.000 -5.468) 7.203 11.275 ( 4.729 0.000 5.177) 7.012 11.376 ( -0.732 0.000 -3.198) 3.281 11.700 ( -5.355 0.000 4.006) 6.688 11.759 ( 2.419 0.000 -1.200) 2.700 12.081 ( -10.682 0.000 6.533) 12.521 12.214 ( 6.680 0.000 -6.168) 9.092 12.652 ( 1.140 0.000 6.166) 6.270 12.704 ( -1.627 0.000 7.007) 7.194 12.826 ( -6.838 0.000 -9.021) 11.320 12.932 ( -1.025 0.000 -12.201) 12.244 13.162 ( -8.909 0.000 2.683) 9.305 13.194 ( 6.386 0.000 -0.183) 6.389 13.630 ( 0.038 0.000 6.019) 6.019 13.764 ( 12.078 0.000 -5.451) 13.251 14.169 ( -1.559 0.000 2.365) 2.832 14.223 ( 0.026 0.000 -1.653) 1.654 14.230 ( -3.998 0.000 10.887) 11.598 14.452 ( 5.787 0.000 -9.824) 11.402 14.649 ( 6.916 0.000 3.020) 7.547 14.689 ( -12.359 0.000 0.046) 12.359 15.086 ( 7.227 0.000 4.007) 8.264 15.244 ( 1.523 0.000 -8.992) 9.120 15.391 ( 1.574 0.000 2.669) 3.099 15.443 ( -5.971 0.000 -1.636) 6.191 15.781 ( 12.426 0.000 3.950) 13.039 15.822 ( -1.355 0.000 -0.134) 1.362 16.029 ( 4.533 0.000 4.835) 6.628 16.138 ( -11.560 0.000 -4.258) 12.319 16.606 ( -6.651 0.000 0.901) 6.712 16.612 ( 3.074 0.000 0.730) 3.160 17.326 ( -0.037 0.000 6.996) 6.996 17.484 ( -0.833 0.000 -6.923) 6.973 20.506 ( 1.518 0.000 2.509) 2.933 20.590 ( -2.403 0.000 -4.958) 5.510 20.857 ( -5.983 0.000 6.766) 9.031 20.977 ( 5.884 0.000 -3.675) 6.938 23.643 ( -0.278 0.000 1.307) 1.336 23.654 ( 0.767 0.000 0.650) 1.005 23.763 ( 0.007 0.000 3.761) 3.761 23.860 ( 0.624 0.000 -4.489) 4.533 24.005 ( -2.265 0.000 3.354) 4.047 24.061 ( 2.889 0.000 -2.197) 3.630 24.370 ( -0.779 0.000 2.957) 3.058 24.459 ( 0.290 0.000 -4.575) 4.584 24.662 ( 6.662 0.000 7.512) 10.040 24.837 ( -13.010 0.000 -6.280) 14.446 24.938 ( -1.188 0.000 2.615) 2.873 25.003 ( 1.824 0.000 -4.324) 4.693 25.580 ( -4.425 0.000 0.586) 4.464 25.606 ( 6.635 0.000 -1.770) 6.868 25.733 ( 0.507 0.000 2.104) 2.164 25.783 ( -1.332 0.000 -2.352) 2.703 25.874 ( -1.727 0.000 2.585) 3.109 25.921 ( 1.611 0.000 -1.454) 2.169 26.526 ( -2.088 0.000 -0.060) 2.089 26.545 ( 3.474 0.000 -1.758) 3.894 27.219 ( 1.562 0.000 6.643) 6.825 27.351 ( 2.129 0.000 -5.112) 5.538 28.093 ( -0.887 0.000 7.396) 7.449 28.258 ( 0.255 0.000 -7.161) 7.166 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 13.252 0.000 4.269) 13.922 1.911 ( 20.240 0.000 27.197) 33.902 2.117 ( 6.096 0.000 -2.134) 6.458 2.141 ( 2.454 0.000 -26.296) 26.410 2.807 ( -7.080 0.000 9.948) 12.210 2.890 ( -7.738 0.000 3.724) 8.588 3.085 ( -6.418 0.000 0.022) 6.418 3.180 ( 5.781 0.000 -3.331) 6.672 3.202 ( 6.113 0.000 -4.027) 7.320 3.383 ( -1.558 0.000 -5.925) 6.126 3.577 ( 10.200 0.000 32.756) 34.308 3.579 ( -0.224 0.000 -7.344) 7.347 3.732 ( 3.873 0.000 9.993) 10.717 3.857 ( -3.075 0.000 -28.147) 28.314 4.118 ( 1.717 0.000 -9.279) 9.436 4.177 ( 5.239 0.000 10.872) 12.068 4.291 ( -15.718 0.000 5.351) 16.604 4.559 ( -12.263 0.000 0.975) 12.302 4.706 ( -8.641 0.000 2.163) 8.908 4.756 ( -1.383 0.000 2.317) 2.698 4.825 ( -12.261 0.000 4.485) 13.055 4.889 ( -7.086 0.000 -5.398) 8.908 5.161 ( -9.394 0.000 6.490) 11.418 5.272 ( -8.823 0.000 -7.950) 11.877 5.302 ( -4.397 0.000 8.766) 9.807 5.481 ( 6.608 0.000 4.465) 7.975 5.531 ( -1.988 0.000 1.314) 2.383 5.724 ( -3.052 0.000 1.338) 3.332 5.752 ( 6.186 0.000 -14.348) 15.625 5.882 ( 7.956 0.000 11.344) 13.856 5.924 ( 0.131 0.000 0.223) 0.259 5.985 ( 1.920 0.000 -8.026) 8.253 6.131 ( 0.378 0.000 -12.162) 12.168 6.208 ( 7.935 0.000 1.983) 8.179 6.267 ( 10.082 0.000 4.224) 10.931 6.301 ( 8.974 0.000 -10.522) 13.829 6.564 ( -2.325 0.000 -0.605) 2.403 6.739 ( -2.777 0.000 -2.423) 3.685 6.742 ( -2.360 0.000 -1.739) 2.931 6.833 ( 7.491 0.000 1.835) 7.713 6.965 ( 4.072 0.000 2.406) 4.730 6.965 ( -3.168 0.000 -1.040) 3.334 7.177 ( -4.277 0.000 -4.056) 5.894 7.264 ( 4.134 0.000 4.959) 6.456 7.361 ( -7.692 0.000 8.648) 11.574 7.652 ( 3.114 0.000 1.394) 3.412 7.742 ( -11.889 0.000 -4.052) 12.560 7.944 ( -5.326 0.000 0.283) 5.334 8.085 ( 0.578 0.000 6.786) 6.810 8.086 ( -1.190 0.000 0.667) 1.364 8.242 ( 2.239 0.000 6.190) 6.582 8.273 ( -0.763 0.000 1.434) 1.625 8.497 ( -5.686 0.000 -0.163) 5.689 8.628 ( -4.299 0.000 -2.244) 4.850 8.825 ( -5.381 0.000 -2.271) 5.841 8.858 ( 0.717 0.000 -8.393) 8.424 8.952 ( 6.868 0.000 -2.220) 7.218 9.139 ( -8.033 0.000 1.926) 8.260 9.302 ( 16.253 0.000 2.360) 16.424 9.621 ( 8.934 0.000 6.440) 11.013 9.856 ( -5.679 0.000 -12.919) 14.113 9.929 ( 2.895 0.000 -4.125) 5.039 9.943 ( 5.141 0.000 -2.612) 5.766 10.049 ( 10.547 0.000 6.398) 12.336 10.169 ( -5.876 0.000 10.104) 11.689 10.368 ( -5.183 0.000 12.681) 13.699 10.569 ( 2.898 0.000 -20.482) 20.686 10.664 ( -4.426 0.000 -1.896) 4.815 10.668 ( 5.618 0.000 -2.578) 6.181 10.775 ( -6.608 0.000 -0.940) 6.674 10.878 ( 6.258 0.000 -3.136) 7.000 10.994 ( 1.475 0.000 -2.791) 3.157 11.314 ( 1.411 0.000 -3.668) 3.930 11.334 ( -1.079 0.000 0.378) 1.143 11.655 ( -2.669 0.000 3.388) 4.313 11.772 ( -2.789 0.000 1.133) 3.010 12.045 ( 2.585 0.000 5.427) 6.011 12.365 ( 10.502 0.000 2.369) 10.766 12.627 ( -9.450 0.000 -5.156) 10.765 12.691 ( -0.636 0.000 9.637) 9.658 12.743 ( -1.093 0.000 10.782) 10.837 12.855 ( 1.076 0.000 -8.054) 8.126 13.049 ( -3.468 0.000 0.854) 3.571 13.241 ( -2.509 0.000 3.790) 4.545 13.651 ( 0.276 0.000 -0.401) 0.487 13.825 ( 0.330 0.000 -11.420) 11.424 14.132 ( -3.800 0.000 1.581) 4.116 14.172 ( -3.555 0.000 1.594) 3.897 14.208 ( -4.396 0.000 8.582) 9.643 14.471 ( 2.076 0.000 -9.148) 9.381 14.552 ( -0.839 0.000 -3.368) 3.471 14.712 ( -2.974 0.000 3.081) 4.282 15.275 ( 3.637 0.000 -8.435) 9.185 15.277 ( 10.094 0.000 1.571) 10.216 15.382 ( 3.422 0.000 -1.319) 3.668 15.447 ( 1.642 0.000 4.620) 4.903 15.744 ( -2.682 0.000 -5.554) 6.168 15.862 ( -4.918 0.000 -3.408) 5.983 16.089 ( 5.463 0.000 -2.494) 6.005 16.255 ( 12.737 0.000 10.874) 16.747 16.521 ( 0.696 0.000 2.087) 2.200 16.573 ( -8.056 0.000 -1.415) 8.179 17.471 ( 9.552 0.000 2.165) 9.794 17.501 ( 6.156 0.000 -2.423) 6.615 20.582 ( 3.938 0.000 4.049) 5.649 20.595 ( 5.404 0.000 -6.785) 8.674 20.846 ( 0.928 0.000 7.531) 7.588 21.122 ( 12.195 0.000 -4.710) 13.073 23.653 ( 0.679 0.000 0.745) 1.008 23.678 ( 1.730 0.000 -0.593) 1.829 23.791 ( 0.565 0.000 4.138) 4.177 23.854 ( 1.806 0.000 -5.607) 5.891 23.974 ( -2.869 0.000 2.243) 3.641 24.103 ( 3.126 0.000 -2.312) 3.888 24.377 ( -0.611 0.000 3.429) 3.482 24.434 ( -0.396 0.000 -3.851) 3.871 24.598 ( -10.266 0.000 -2.015) 10.462 24.831 ( 3.876 0.000 11.417) 12.057 24.944 ( 1.848 0.000 2.550) 3.149 24.997 ( -0.029 0.000 -2.994) 2.994 25.505 ( -3.535 0.000 -0.653) 3.595 25.696 ( 2.274 0.000 -2.886) 3.674 25.727 ( -2.601 0.000 2.040) 3.306 25.747 ( 1.811 0.000 -1.178) 2.161 25.881 ( 0.414 0.000 1.891) 1.936 25.974 ( 4.979 0.000 -1.082) 5.095 26.472 ( -3.544 0.000 -1.090) 3.708 26.572 ( 0.942 0.000 -1.863) 2.088 27.217 ( -4.224 0.000 4.339) 6.056 27.317 ( -1.620 0.000 -8.554) 8.706 28.074 ( -5.465 0.000 7.236) 9.068 28.152 ( -6.653 0.000 -4.977) 8.308 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 14.877 0.000 -21.615) 26.239 2.131 ( 12.773 0.000 -21.263) 24.805 2.321 ( 6.136 0.000 21.936) 22.778 2.408 ( 15.211 0.000 21.885) 26.652 2.780 ( -6.865 0.000 6.574) 9.505 2.794 ( 1.192 0.000 7.084) 7.184 2.940 ( -5.590 0.000 -7.413) 9.285 3.197 ( -1.283 0.000 -5.604) 5.749 3.261 ( 2.723 0.000 -4.815) 5.532 3.348 ( -1.948 0.000 -0.426) 1.994 3.521 ( 5.190 0.000 -13.169) 14.155 3.725 ( 0.996 0.000 3.112) 3.267 3.728 ( -0.276 0.000 -16.349) 16.352 3.934 ( -6.431 0.000 5.748) 8.626 4.007 ( -3.674 0.000 9.029) 9.748 4.121 ( 3.512 0.000 -12.952) 13.420 4.238 ( -19.080 0.000 -0.355) 19.083 4.371 ( -6.870 0.000 2.239) 7.225 4.566 ( -11.210 0.000 3.192) 11.656 4.651 ( 4.760 0.000 23.529) 24.006 4.681 ( -3.623 0.000 4.048) 5.433 4.852 ( -0.367 0.000 0.113) 0.384 5.066 ( -6.389 0.000 8.889) 10.947 5.101 ( -3.567 0.000 -8.027) 8.784 5.338 ( -3.282 0.000 20.230) 20.494 5.465 ( -5.222 0.000 4.811) 7.100 5.560 ( 0.499 0.000 0.218) 0.544 5.675 ( -4.088 0.000 6.311) 7.519 5.735 ( 1.321 0.000 -16.077) 16.131 5.905 ( -1.325 0.000 -1.717) 2.168 5.908 ( 1.491 0.000 -5.900) 6.085 6.053 ( 4.339 0.000 -5.555) 7.048 6.192 ( 7.180 0.000 1.272) 7.291 6.292 ( -0.160 0.000 -0.014) 0.161 6.438 ( 12.746 0.000 -11.355) 17.070 6.463 ( 5.070 0.000 6.119) 7.947 6.587 ( 3.802 0.000 -6.700) 7.704 6.691 ( 0.689 0.000 -2.909) 2.990 6.739 ( 3.568 0.000 4.894) 6.057 6.878 ( -3.941 0.000 0.811) 4.023 6.947 ( 4.293 0.000 -1.739) 4.632 7.053 ( 3.955 0.000 0.883) 4.053 7.069 ( -5.385 0.000 -3.061) 6.195 7.327 ( -2.678 0.000 6.513) 7.042 7.349 ( -0.146 0.000 4.154) 4.156 7.562 ( -4.295 0.000 -3.722) 5.683 7.699 ( 0.954 0.000 0.078) 0.957 7.845 ( -5.398 0.000 -2.236) 5.843 8.044 ( -4.756 0.000 7.616) 8.979 8.053 ( -4.210 0.000 4.640) 6.265 8.216 ( -7.510 0.000 -4.459) 8.734 8.286 ( -0.065 0.000 -2.246) 2.247 8.449 ( -1.434 0.000 8.298) 8.421 8.478 ( -8.309 0.000 3.171) 8.894 8.713 ( -0.949 0.000 -2.171) 2.369 8.830 ( 1.451 0.000 -8.195) 8.323 9.100 ( 0.383 0.000 1.735) 1.777 9.169 ( 13.186 0.000 -0.791) 13.210 9.537 ( -6.824 0.000 -14.227) 15.779 9.578 ( 13.369 0.000 -1.257) 13.428 9.870 ( 0.109 0.000 6.898) 6.899 9.951 ( 1.420 0.000 -4.140) 4.377 9.989 ( -0.353 0.000 -4.377) 4.391 10.123 ( -5.684 0.000 8.772) 10.452 10.193 ( 3.554 0.000 -2.360) 4.266 10.319 ( -3.910 0.000 5.880) 7.061 10.463 ( -1.271 0.000 -17.626) 17.672 10.619 ( 4.773 0.000 -0.702) 4.824 10.733 ( 1.349 0.000 -3.952) 4.176 10.750 ( -0.854 0.000 10.386) 10.421 10.927 ( -1.609 0.000 0.512) 1.689 11.017 ( 9.410 0.000 -7.575) 12.080 11.283 ( -2.706 0.000 -2.792) 3.888 11.438 ( 11.058 0.000 -1.971) 11.232 11.598 ( -4.313 0.000 0.676) 4.366 11.687 ( -7.087 0.000 5.039) 8.695 12.180 ( 7.283 0.000 5.019) 8.844 12.413 ( -9.463 0.000 -3.596) 10.124 12.543 ( 0.164 0.000 13.545) 13.546 12.713 ( 5.189 0.000 -7.077) 8.775 12.822 ( 1.425 0.000 15.346) 15.412 12.974 ( 8.540 0.000 1.305) 8.639 13.073 ( 6.157 0.000 9.432) 11.264 13.155 ( -9.651 0.000 6.669) 11.730 13.627 ( -0.840 0.000 -6.101) 6.158 13.765 ( 1.100 0.000 -7.785) 7.862 14.048 ( -6.588 0.000 1.744) 6.815 14.128 ( -2.185 0.000 -0.074) 2.186 14.175 ( -3.056 0.000 4.260) 5.243 14.439 ( 1.005 0.000 -12.545) 12.585 14.535 ( 1.260 0.000 -7.778) 7.879 14.601 ( -8.825 0.000 0.054) 8.826 15.287 ( 2.080 0.000 -1.949) 2.851 15.433 ( 4.845 0.000 4.140) 6.373 15.454 ( 3.270 0.000 -5.171) 6.118 15.482 ( -0.263 0.000 3.128) 3.139 15.738 ( 5.962 0.000 -3.835) 7.088 15.759 ( -5.068 0.000 -0.406) 5.084 16.088 ( -2.676 0.000 0.649) 2.754 16.347 ( -12.231 0.000 -6.727) 13.959 16.544 ( 10.001 0.000 12.953) 16.365 16.654 ( 10.795 0.000 -3.174) 11.252 17.628 ( 5.004 0.000 5.403) 7.364 17.643 ( 10.129 0.000 -4.811) 11.214 20.647 ( 0.535 0.000 3.286) 3.330 20.668 ( 7.156 0.000 -9.886) 12.204 20.995 ( 7.764 0.000 14.303) 16.274 21.346 ( 15.606 0.000 -6.317) 16.836 23.672 ( 1.034 0.000 -0.111) 1.040 23.705 ( 1.857 0.000 -1.768) 2.564 23.821 ( -0.187 0.000 3.294) 3.299 23.855 ( 1.984 0.000 -6.577) 6.869 23.939 ( -2.149 0.000 4.353) 4.854 24.145 ( 3.159 0.000 -3.308) 4.574 24.361 ( -4.505 0.000 3.471) 5.687 24.405 ( -0.810 0.000 -1.913) 2.077 24.467 ( -3.140 0.000 1.612) 3.529 24.859 ( -2.859 0.000 2.415) 3.743 24.980 ( -0.127 0.000 -1.257) 1.263 25.071 ( 4.201 0.000 10.425) 11.240 25.460 ( -0.409 0.000 -0.129) 0.429 25.670 ( -1.372 0.000 -1.667) 2.159 25.671 ( -4.227 0.000 1.484) 4.480 25.821 ( 4.876 0.000 -3.065) 5.759 25.903 ( 0.767 0.000 1.971) 2.115 26.067 ( 5.437 0.000 -1.884) 5.754 26.393 ( -3.502 0.000 -2.490) 4.297 26.561 ( -1.035 0.000 -1.719) 2.007 27.147 ( -5.633 0.000 3.711) 6.746 27.211 ( -2.577 0.000 -12.055) 12.327 28.001 ( -6.250 0.000 6.078) 8.718 28.008 ( -6.212 0.000 -2.174) 6.582 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 12.895 0.000 -11.742) 17.440 2.342 ( 21.078 0.000 -16.454) 26.739 2.492 ( 2.064 0.000 12.436) 12.606 2.575 ( -7.542 0.000 20.747) 22.075 2.645 ( -13.603 0.000 3.207) 13.976 2.883 ( 2.998 0.000 -0.723) 3.084 2.992 ( 14.775 0.000 -4.209) 15.362 3.162 ( -0.704 0.000 3.222) 3.298 3.215 ( -5.769 0.000 -5.025) 7.651 3.220 ( -7.989 0.000 -7.382) 10.877 3.547 ( -8.862 0.000 -2.122) 9.112 3.637 ( -8.025 0.000 -2.889) 8.530 3.691 ( 14.885 0.000 -14.746) 20.952 3.804 ( -2.692 0.000 4.710) 5.424 3.955 ( -5.043 0.000 -4.549) 6.791 4.066 ( -3.553 0.000 -0.131) 3.556 4.138 ( 1.430 0.000 -6.352) 6.511 4.167 ( -10.684 0.000 -3.607) 11.277 4.390 ( -2.970 0.000 4.469) 5.366 4.668 ( -0.927 0.000 -4.201) 4.302 4.876 ( 3.281 0.000 6.445) 7.232 4.957 ( -1.971 0.000 20.920) 21.012 5.049 ( 2.466 0.000 12.801) 13.036 5.059 ( 1.522 0.000 -1.098) 1.876 5.318 ( -10.520 0.000 10.527) 14.882 5.458 ( -4.162 0.000 20.405) 20.825 5.521 ( -3.743 0.000 -4.968) 6.220 5.663 ( 3.177 0.000 -12.723) 13.114 5.717 ( 6.380 0.000 11.466) 13.121 5.902 ( 1.619 0.000 -1.665) 2.323 5.952 ( 5.980 0.000 -1.342) 6.128 6.087 ( 3.550 0.000 -7.494) 8.292 6.247 ( -3.663 0.000 -4.863) 6.088 6.290 ( 4.312 0.000 -4.383) 6.149 6.435 ( -7.289 0.000 3.611) 8.135 6.552 ( 4.090 0.000 -4.870) 6.359 6.597 ( 2.070 0.000 -4.189) 4.672 6.759 ( 8.824 0.000 -8.181) 12.033 6.881 ( 0.222 0.000 3.874) 3.880 6.905 ( 7.652 0.000 8.114) 11.153 6.964 ( -0.713 0.000 -2.002) 2.126 6.975 ( -0.933 0.000 -2.675) 2.833 7.127 ( 2.813 0.000 0.151) 2.817 7.289 ( -3.524 0.000 2.932) 4.584 7.302 ( -4.127 0.000 0.330) 4.140 7.585 ( 7.156 0.000 -1.315) 7.276 7.603 ( -8.492 0.000 -8.237) 11.831 7.743 ( -5.218 0.000 0.435) 5.236 7.944 ( -10.525 0.000 2.468) 10.810 7.950 ( -8.711 0.000 -11.006) 14.036 8.110 ( -0.242 0.000 9.369) 9.372 8.248 ( 1.029 0.000 -5.400) 5.498 8.432 ( -3.047 0.000 10.307) 10.748 8.545 ( 2.828 0.000 13.385) 13.681 8.745 ( 4.706 0.000 -1.019) 4.814 8.806 ( 0.516 0.000 -5.753) 5.776 9.138 ( 2.238 0.000 1.855) 2.907 9.288 ( -1.490 0.000 -6.739) 6.901 9.443 ( 5.691 0.000 -3.026) 6.446 9.754 ( -9.670 0.000 -4.401) 10.624 9.756 ( 8.406 0.000 -6.320) 10.516 9.905 ( -3.898 0.000 -5.750) 6.947 9.958 ( -2.075 0.000 0.821) 2.231 10.081 ( -4.019 0.000 12.814) 13.430 10.163 ( -3.208 0.000 -8.771) 9.339 10.361 ( 3.925 0.000 3.504) 5.261 10.367 ( 1.340 0.000 -11.640) 11.717 10.667 ( -3.359 0.000 -5.945) 6.829 10.805 ( 0.940 0.000 6.788) 6.852 10.824 ( 11.887 0.000 11.541) 16.567 10.927 ( 1.998 0.000 -5.043) 5.425 11.132 ( 6.053 0.000 -8.274) 10.252 11.212 ( -3.194 0.000 -2.284) 3.927 11.549 ( -1.294 0.000 1.287) 1.825 11.554 ( -0.414 0.000 -0.097) 0.425 11.620 ( -2.414 0.000 2.302) 3.336 12.317 ( 5.047 0.000 5.405) 7.395 12.360 ( 4.746 0.000 5.314) 7.125 12.529 ( -4.743 0.000 5.093) 6.959 12.801 ( 4.854 0.000 -1.449) 5.065 12.917 ( -5.905 0.000 12.029) 13.401 13.047 ( -1.228 0.000 12.300) 12.361 13.060 ( 2.296 0.000 -1.604) 2.801 13.318 ( 7.984 0.000 7.508) 10.959 13.595 ( 2.741 0.000 -0.810) 2.859 13.782 ( 4.529 0.000 -5.637) 7.231 13.914 ( -9.466 0.000 2.679) 9.838 14.088 ( -2.158 0.000 -0.334) 2.183 14.152 ( -0.586 0.000 -1.026) 1.182 14.354 ( -1.150 0.000 -17.179) 17.218 14.441 ( -7.883 0.000 0.108) 7.884 14.504 ( 1.038 0.000 -9.336) 9.393 15.312 ( 1.336 0.000 -1.460) 1.979 15.433 ( -3.120 0.000 -1.518) 3.469 15.477 ( 2.899 0.000 -1.338) 3.193 15.561 ( 4.481 0.000 6.270) 7.706 15.663 ( -5.914 0.000 1.970) 6.233 15.860 ( 7.155 0.000 -3.297) 7.878 16.035 ( -5.559 0.000 5.131) 7.565 16.112 ( -7.190 0.000 -8.294) 10.977 16.734 ( 3.363 0.000 10.220) 10.759 16.815 ( 9.131 0.000 -4.492) 10.176 17.703 ( -1.380 0.000 8.680) 8.789 17.783 ( 9.700 0.000 -8.664) 13.006 20.651 ( -1.667 0.000 2.719) 3.190 20.727 ( 5.868 0.000 -10.730) 12.230 21.217 ( 4.373 0.000 19.349) 19.837 21.590 ( 15.643 0.000 -10.108) 18.625 23.684 ( 0.601 0.000 -1.206) 1.347 23.717 ( 0.710 0.000 -2.823) 2.911 23.803 ( -2.655 0.000 1.515) 3.057 23.849 ( 1.567 0.000 -6.267) 6.460 23.976 ( 1.287 0.000 9.714) 9.799 24.176 ( 2.529 0.000 -4.278) 4.970 24.286 ( -5.356 0.000 6.302) 8.270 24.388 ( -0.554 0.000 0.298) 0.629 24.463 ( -0.236 0.000 2.361) 2.373 24.789 ( -4.122 0.000 -4.444) 6.062 24.990 ( 1.766 0.000 0.298) 1.791 25.122 ( -3.717 0.000 5.672) 6.781 25.516 ( 4.357 0.000 5.710) 7.182 25.613 ( -2.397 0.000 1.227) 2.693 25.642 ( -0.728 0.000 -1.440) 1.614 25.862 ( 1.947 0.000 -4.758) 5.141 25.932 ( 0.895 0.000 2.392) 2.554 26.111 ( 0.944 0.000 -5.325) 5.408 26.358 ( 1.533 0.000 -0.568) 1.635 26.518 ( -2.580 0.000 -1.822) 3.158 27.061 ( -5.900 0.000 2.914) 6.580 27.122 ( 0.553 0.000 -11.215) 11.229 27.923 ( -2.112 0.000 -0.399) 2.149 27.931 ( -4.784 0.000 4.801) 6.778 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -21.953 0.000 9.779) 24.033 2.335 ( -8.524 0.000 5.465) 10.125 2.499 ( -0.659 0.000 0.918) 1.131 2.499 ( -5.323 0.000 8.016) 9.622 2.738 ( 20.115 0.000 -1.846) 20.199 2.912 ( 4.556 0.000 3.931) 6.017 3.032 ( -7.817 0.000 -6.801) 10.362 3.102 ( 7.006 0.000 -21.695) 22.798 3.151 ( -4.122 0.000 2.887) 5.033 3.221 ( 11.360 0.000 -4.707) 12.297 3.461 ( 1.239 0.000 2.875) 3.131 3.541 ( -2.471 0.000 -3.862) 4.585 3.738 ( -6.384 0.000 3.952) 7.509 3.843 ( 5.410 0.000 -5.009) 7.372 3.889 ( -14.123 0.000 1.663) 14.220 3.945 ( 3.521 0.000 -3.765) 5.155 4.048 ( -1.034 0.000 -0.532) 1.162 4.126 ( 2.355 0.000 -6.632) 7.038 4.463 ( 4.713 0.000 6.767) 8.247 4.583 ( -3.277 0.000 -6.298) 7.100 4.959 ( -5.344 0.000 16.859) 17.686 5.032 ( 6.432 0.000 11.299) 13.001 5.078 ( -9.439 0.000 7.591) 12.113 5.146 ( 8.017 0.000 -0.550) 8.036 5.246 ( 2.405 0.000 1.861) 3.041 5.416 ( -0.156 0.000 -12.156) 12.157 5.490 ( -5.726 0.000 22.612) 23.326 5.725 ( 7.523 0.000 -3.810) 8.433 5.875 ( 4.356 0.000 1.986) 4.787 5.883 ( -3.743 0.000 0.004) 3.743 6.003 ( -9.120 0.000 -6.430) 11.158 6.153 ( 10.848 0.000 -12.879) 16.839 6.186 ( 4.919 0.000 6.130) 7.860 6.285 ( -1.961 0.000 -6.263) 6.562 6.406 ( 1.936 0.000 5.552) 5.880 6.549 ( -0.415 0.000 -7.583) 7.595 6.625 ( 1.111 0.000 1.788) 2.105 6.820 ( 2.597 0.000 -12.911) 13.169 6.893 ( 0.453 0.000 3.860) 3.886 6.929 ( -1.823 0.000 0.200) 1.834 7.016 ( 5.624 0.000 4.372) 7.124 7.067 ( -7.410 0.000 -1.845) 7.636 7.085 ( 5.349 0.000 8.708) 10.220 7.268 ( -0.506 0.000 2.357) 2.411 7.278 ( -0.410 0.000 1.545) 1.598 7.362 ( -10.088 0.000 -12.519) 16.077 7.670 ( -3.582 0.000 1.970) 4.088 7.718 ( 1.346 0.000 -1.158) 1.776 7.765 ( -2.492 0.000 -0.535) 2.549 7.826 ( 3.127 0.000 -5.956) 6.727 8.159 ( 0.535 0.000 4.238) 4.271 8.268 ( 3.991 0.000 -5.098) 6.475 8.446 ( -3.188 0.000 13.957) 14.316 8.592 ( -3.919 0.000 6.604) 7.680 8.796 ( 1.208 0.000 -3.414) 3.621 8.847 ( 6.224 0.000 -7.086) 9.431 9.187 ( 1.480 0.000 2.253) 2.696 9.234 ( -0.789 0.000 -0.496) 0.932 9.498 ( -0.578 0.000 4.313) 4.352 9.624 ( -4.442 0.000 6.437) 7.820 9.728 ( -6.234 0.000 -11.476) 13.060 9.839 ( 2.456 0.000 -10.230) 10.520 9.957 ( 2.142 0.000 1.280) 2.495 10.005 ( -7.771 0.000 -3.059) 8.351 10.105 ( -1.816 0.000 11.471) 11.613 10.380 ( 5.198 0.000 -8.424) 9.899 10.461 ( 5.065 0.000 2.843) 5.808 10.589 ( -0.119 0.000 -11.305) 11.306 10.829 ( -1.642 0.000 3.626) 3.980 10.906 ( -0.693 0.000 -6.572) 6.608 11.049 ( 0.661 0.000 6.627) 6.660 11.153 ( 1.777 0.000 -3.099) 3.573 11.253 ( 12.226 0.000 6.872) 14.024 11.446 ( -9.475 0.000 -6.959) 11.756 11.547 ( -0.590 0.000 1.263) 1.394 11.584 ( -0.068 0.000 -3.029) 3.030 12.461 ( -5.234 0.000 2.747) 5.911 12.474 ( 5.583 0.000 1.931) 5.907 12.550 ( 9.331 0.000 16.251) 18.739 12.795 ( -8.449 0.000 9.829) 12.962 12.827 ( -3.502 0.000 -4.219) 5.483 13.020 ( 0.730 0.000 -9.288) 9.317 13.213 ( 5.974 0.000 13.721) 14.965 13.384 ( 0.723 0.000 -3.881) 3.947 13.718 ( -3.170 0.000 7.021) 7.704 13.792 ( 0.594 0.000 12.053) 12.067 13.846 ( 5.060 0.000 -4.380) 6.693 14.039 ( -3.321 0.000 -0.478) 3.355 14.132 ( -0.038 0.000 -4.518) 4.518 14.206 ( -3.177 0.000 -18.616) 18.885 14.351 ( -2.469 0.000 2.668) 3.635 14.481 ( 2.696 0.000 -9.381) 9.760 15.331 ( 1.719 0.000 0.301) 1.745 15.356 ( -3.791 0.000 -1.901) 4.241 15.545 ( 4.078 0.000 1.240) 4.262 15.565 ( -5.187 0.000 0.276) 5.195 15.698 ( 5.922 0.000 7.067) 9.220 15.849 ( -3.897 0.000 -5.885) 7.058 15.938 ( -8.470 0.000 7.236) 11.140 16.081 ( 5.889 0.000 -5.979) 8.392 16.779 ( -3.716 0.000 7.574) 8.437 16.920 ( 4.948 0.000 -4.912) 6.973 17.687 ( -5.002 0.000 7.988) 9.425 17.891 ( 7.932 0.000 -10.136) 12.871 20.624 ( -3.008 0.000 2.973) 4.229 20.758 ( 4.055 0.000 -9.657) 10.474 21.334 ( -3.859 0.000 18.824) 19.216 21.757 ( 10.465 0.000 -17.709) 20.570 23.680 ( -0.169 0.000 -1.127) 1.139 23.697 ( -0.979 0.000 -2.652) 2.827 23.769 ( -2.216 0.000 2.661) 3.463 23.849 ( 1.988 0.000 -4.838) 5.231 24.050 ( -0.563 0.000 8.900) 8.917 24.182 ( 0.457 0.000 -4.085) 4.111 24.284 ( 0.517 0.000 11.917) 11.928 24.382 ( -0.537 0.000 0.332) 0.631 24.471 ( -0.558 0.000 4.095) 4.133 24.676 ( -3.164 0.000 -9.652) 10.157 25.051 ( 4.408 0.000 1.352) 4.611 25.052 ( -4.998 0.000 1.703) 5.280 25.587 ( -0.077 0.000 2.587) 2.589 25.628 ( 0.178 0.000 -1.424) 1.436 25.650 ( 3.377 0.000 7.232) 7.981 25.834 ( -1.152 0.000 -7.807) 7.892 25.956 ( -0.197 0.000 3.789) 3.794 26.064 ( -1.818 0.000 -5.432) 5.728 26.420 ( 4.132 0.000 0.747) 4.199 26.448 ( -3.817 0.000 -2.209) 4.410 26.973 ( -5.710 0.000 3.780) 6.848 27.107 ( 3.791 0.000 -8.235) 9.066 27.888 ( -2.427 0.000 3.453) 4.221 27.926 ( 2.256 0.000 0.023) 2.257 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -29.837 0.000 14.727) 33.273 1.962 ( -24.070 0.000 13.438) 27.567 2.452 ( -7.481 0.000 16.330) 17.962 2.613 ( 4.778 0.000 5.544) 7.319 2.874 ( -4.673 0.000 -3.221) 5.675 2.983 ( 0.658 0.000 -4.998) 5.041 3.053 ( 9.883 0.000 1.231) 9.959 3.101 ( 2.634 0.000 -12.422) 12.699 3.219 ( 11.828 0.000 -11.796) 16.704 3.307 ( 1.294 0.000 -7.112) 7.229 3.471 ( -9.832 0.000 0.259) 9.836 3.566 ( 8.301 0.000 3.340) 8.948 3.585 ( -2.110 0.000 0.096) 2.112 3.805 ( 1.957 0.000 5.733) 6.058 3.890 ( -0.368 0.000 -3.966) 3.983 3.929 ( 1.652 0.000 8.184) 8.349 4.065 ( 3.636 0.000 1.027) 3.778 4.218 ( 10.350 0.000 -4.977) 11.484 4.508 ( -1.212 0.000 -6.493) 6.605 4.589 ( 4.739 0.000 4.909) 6.824 4.951 ( -6.045 0.000 6.750) 9.061 4.966 ( -3.793 0.000 7.921) 8.782 5.166 ( 2.482 0.000 2.074) 3.235 5.284 ( 7.905 0.000 -4.781) 9.239 5.315 ( 1.939 0.000 8.012) 8.244 5.434 ( 7.818 0.000 -7.132) 10.582 5.506 ( -4.079 0.000 8.146) 9.110 5.759 ( -4.278 0.000 1.622) 4.575 5.810 ( -5.489 0.000 2.100) 5.877 5.906 ( 7.076 0.000 -3.695) 7.982 5.950 ( 2.757 0.000 0.634) 2.828 6.128 ( -7.152 0.000 -12.884) 14.736 6.216 ( -1.937 0.000 2.022) 2.800 6.258 ( 5.185 0.000 -12.638) 13.660 6.493 ( -1.129 0.000 -4.271) 4.418 6.509 ( 1.484 0.000 0.260) 1.506 6.621 ( -2.800 0.000 5.347) 6.036 6.672 ( -5.031 0.000 -11.506) 12.558 6.913 ( -0.254 0.000 2.908) 2.919 6.929 ( -2.868 0.000 0.742) 2.962 6.968 ( 0.329 0.000 -2.527) 2.549 7.121 ( -7.707 0.000 -10.108) 12.711 7.129 ( -1.715 0.000 -0.180) 1.725 7.212 ( 2.116 0.000 10.434) 10.646 7.301 ( 1.867 0.000 2.487) 3.110 7.363 ( 12.097 0.000 10.311) 15.895 7.610 ( -1.924 0.000 -4.277) 4.690 7.663 ( 0.916 0.000 4.825) 4.912 7.855 ( 4.746 0.000 -0.805) 4.814 7.978 ( 12.720 0.000 0.196) 12.721 8.171 ( -0.800 0.000 0.435) 0.910 8.324 ( 5.654 0.000 -7.821) 9.651 8.479 ( -1.987 0.000 14.620) 14.754 8.527 ( -5.528 0.000 4.534) 7.150 8.775 ( -2.476 0.000 -5.219) 5.777 8.857 ( 2.183 0.000 -12.429) 12.619 9.179 ( -4.890 0.000 -0.886) 4.969 9.202 ( -1.055 0.000 2.489) 2.703 9.551 ( -6.512 0.000 -11.305) 13.046 9.584 ( -1.174 0.000 10.068) 10.136 9.613 ( 0.212 0.000 17.489) 17.490 9.737 ( -3.746 0.000 -2.927) 4.754 9.984 ( 5.009 0.000 -1.883) 5.351 10.015 ( 1.483 0.000 4.517) 4.754 10.135 ( -0.709 0.000 7.090) 7.125 10.423 ( 3.705 0.000 -6.789) 7.735 10.501 ( -0.746 0.000 -17.900) 17.916 10.584 ( 6.740 0.000 2.733) 7.273 10.793 ( -3.964 0.000 3.788) 5.483 10.848 ( -3.134 0.000 -2.906) 4.274 11.041 ( -2.665 0.000 3.422) 4.337 11.178 ( -2.089 0.000 -0.215) 2.100 11.210 ( -3.485 0.000 -15.913) 16.290 11.498 ( -2.610 0.000 2.777) 3.811 11.570 ( -0.148 0.000 -0.578) 0.597 11.595 ( 13.492 0.000 5.395) 14.531 12.366 ( -6.094 0.000 0.195) 6.098 12.560 ( 3.392 0.000 -0.161) 3.396 12.609 ( -10.472 0.000 -12.721) 16.477 12.619 ( -7.311 0.000 12.711) 14.664 12.921 ( 9.703 0.000 14.463) 17.416 13.082 ( 7.494 0.000 -3.329) 8.200 13.312 ( -3.745 0.000 -9.747) 10.442 13.332 ( 0.430 0.000 3.536) 3.562 13.627 ( -5.914 0.000 6.443) 8.746 13.793 ( -10.480 0.000 -10.759) 15.019 13.971 ( 4.489 0.000 17.111) 17.690 14.006 ( 3.250 0.000 -1.503) 3.581 14.110 ( 0.386 0.000 -2.780) 2.806 14.128 ( 4.567 0.000 -5.588) 7.217 14.367 ( 1.607 0.000 2.943) 3.353 14.504 ( 5.166 0.000 -6.942) 8.653 15.285 ( -3.375 0.000 -0.179) 3.379 15.382 ( 2.874 0.000 2.380) 3.731 15.477 ( -4.402 0.000 -0.117) 4.403 15.608 ( 0.940 0.000 0.394) 1.019 15.759 ( -7.214 0.000 6.045) 9.411 15.767 ( -0.022 0.000 -5.926) 5.926 15.932 ( 7.434 0.000 7.204) 10.352 16.122 ( 0.231 0.000 -2.878) 2.888 16.707 ( -7.541 0.000 5.347) 9.244 16.925 ( -0.959 0.000 -6.197) 6.271 17.637 ( -4.152 0.000 4.844) 6.380 17.937 ( 3.300 0.000 -11.927) 12.375 20.580 ( -3.646 0.000 3.286) 4.909 20.767 ( 2.541 0.000 -7.978) 8.373 21.294 ( -10.783 0.000 15.092) 18.548 21.725 ( -1.020 0.000 -26.273) 26.293 23.665 ( -1.349 0.000 -0.439) 1.419 23.671 ( -0.627 0.000 0.619) 0.882 23.752 ( -1.581 0.000 3.020) 3.409 23.864 ( 2.340 0.000 -3.839) 4.496 24.051 ( -3.211 0.000 6.830) 7.547 24.135 ( -2.773 0.000 -4.431) 5.227 24.378 ( 1.171 0.000 3.385) 3.582 24.380 ( 0.951 0.000 -0.940) 1.337 24.556 ( 6.068 0.000 16.140) 17.243 24.589 ( -0.508 0.000 -9.151) 9.165 24.985 ( -3.105 0.000 1.156) 3.314 25.160 ( 6.523 0.000 1.721) 6.746 25.605 ( 0.773 0.000 1.760) 1.923 25.638 ( 1.660 0.000 -0.904) 1.890 25.725 ( -4.751 0.000 -11.708) 12.635 25.727 ( 0.403 0.000 6.663) 6.675 25.972 ( -1.050 0.000 6.148) 6.237 26.000 ( -2.236 0.000 -3.497) 4.150 26.363 ( -3.932 0.000 -1.436) 4.186 26.492 ( 3.162 0.000 0.652) 3.228 26.912 ( -3.918 0.000 6.997) 8.019 27.155 ( 5.614 0.000 -5.746) 8.033 27.888 ( 0.654 0.000 2.749) 2.826 27.992 ( 5.018 0.000 -0.641) 5.059 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -22.467 0.000 24.355) 33.135 1.623 ( -23.546 0.000 18.629) 30.024 2.430 ( -9.069 0.000 33.755) 34.952 2.634 ( -8.751 0.000 8.387) 12.121 2.770 ( -4.175 0.000 -9.762) 10.617 2.949 ( 2.984 0.000 -17.614) 17.865 3.106 ( 8.248 0.000 -12.348) 14.849 3.125 ( -1.904 0.000 6.815) 7.076 3.183 ( -7.344 0.000 -2.406) 7.728 3.219 ( -4.393 0.000 -3.866) 5.852 3.360 ( -1.339 0.000 -1.026) 1.687 3.647 ( 3.614 0.000 -1.198) 3.807 3.754 ( 1.729 0.000 -2.169) 2.774 3.871 ( 0.343 0.000 6.767) 6.776 3.939 ( 16.440 0.000 2.746) 16.668 4.109 ( 7.221 0.000 5.464) 9.055 4.250 ( 15.687 0.000 0.021) 15.687 4.361 ( 7.597 0.000 -5.258) 9.240 4.536 ( 10.198 0.000 0.986) 10.245 4.699 ( 5.150 0.000 4.039) 6.545 4.877 ( -3.477 0.000 1.149) 3.662 4.978 ( 1.280 0.000 3.589) 3.810 5.148 ( -3.728 0.000 -9.483) 10.190 5.306 ( 0.343 0.000 -15.258) 15.261 5.421 ( 2.097 0.000 12.944) 13.113 5.446 ( -3.837 0.000 6.657) 7.684 5.550 ( 4.470 0.000 2.620) 5.181 5.691 ( -5.516 0.000 1.041) 5.614 5.804 ( -3.536 0.000 -10.192) 10.789 5.810 ( -1.195 0.000 7.027) 7.127 5.969 ( -0.736 0.000 0.620) 0.962 6.055 ( 2.708 0.000 -25.154) 25.299 6.211 ( 0.482 0.000 -0.871) 0.996 6.269 ( 5.060 0.000 1.379) 5.245 6.351 ( -14.373 0.000 -3.434) 14.777 6.440 ( -3.074 0.000 3.853) 4.929 6.581 ( -5.272 0.000 -5.914) 7.923 6.648 ( 1.678 0.000 2.073) 2.667 6.857 ( -2.806 0.000 -3.080) 4.166 6.905 ( -3.239 0.000 1.682) 3.650 6.943 ( 1.357 0.000 -4.189) 4.404 7.051 ( -2.808 0.000 0.656) 2.884 7.060 ( 3.707 0.000 -4.614) 5.918 7.324 ( 3.533 0.000 8.561) 9.261 7.394 ( 6.206 0.000 3.221) 6.992 7.562 ( 0.800 0.000 -6.615) 6.663 7.644 ( 10.616 0.000 7.640) 13.079 7.740 ( -0.269 0.000 1.702) 1.723 7.983 ( 10.236 0.000 9.536) 13.990 8.131 ( -3.130 0.000 1.784) 3.603 8.223 ( 12.358 0.000 -2.143) 12.543 8.339 ( -0.436 0.000 -7.956) 7.968 8.481 ( -1.579 0.000 5.561) 5.781 8.538 ( 0.697 0.000 8.170) 8.200 8.655 ( -2.976 0.000 -7.473) 8.044 8.809 ( -0.645 0.000 -8.667) 8.690 9.094 ( -3.989 0.000 2.517) 4.717 9.167 ( -7.818 0.000 -0.086) 7.819 9.389 ( -0.960 0.000 -3.260) 3.399 9.522 ( -7.875 0.000 4.378) 9.010 9.762 ( 1.710 0.000 15.146) 15.242 9.789 ( 5.329 0.000 6.880) 8.702 10.066 ( 0.211 0.000 9.582) 9.584 10.075 ( 4.544 0.000 -4.874) 6.664 10.167 ( 0.442 0.000 5.131) 5.150 10.351 ( -4.429 0.000 -8.711) 9.773 10.464 ( 5.362 0.000 -9.874) 11.236 10.701 ( 3.018 0.000 0.505) 3.060 10.723 ( -4.992 0.000 -10.182) 11.340 10.758 ( -3.595 0.000 8.574) 9.297 10.990 ( -2.909 0.000 -0.927) 3.054 11.036 ( -1.207 0.000 -13.398) 13.452 11.235 ( 2.628 0.000 1.138) 2.864 11.387 ( -9.321 0.000 1.444) 9.432 11.597 ( 3.626 0.000 0.788) 3.711 11.793 ( 3.361 0.000 0.302) 3.375 12.282 ( -1.796 0.000 -3.813) 4.215 12.431 ( -0.231 0.000 -6.101) 6.105 12.544 ( -8.071 0.000 9.864) 12.745 12.618 ( 1.845 0.000 1.755) 2.547 13.083 ( 0.986 0.000 -2.236) 2.444 13.136 ( -1.392 0.000 -11.046) 11.134 13.241 ( 3.548 0.000 -1.437) 3.828 13.297 ( -4.399 0.000 -2.969) 5.307 13.494 ( -10.156 0.000 -3.418) 10.715 13.581 ( -3.683 0.000 7.423) 8.286 14.085 ( 5.098 0.000 0.334) 5.109 14.117 ( 1.215 0.000 7.998) 8.089 14.129 ( 2.585 0.000 7.363) 7.804 14.254 ( 9.391 0.000 -2.613) 9.748 14.424 ( 2.910 0.000 2.110) 3.594 14.591 ( 7.182 0.000 -1.296) 7.298 15.223 ( -4.521 0.000 1.770) 4.855 15.415 ( -2.347 0.000 -0.053) 2.347 15.445 ( 1.221 0.000 2.248) 2.559 15.556 ( -4.110 0.000 -3.769) 5.576 15.640 ( -7.639 0.000 5.068) 9.167 15.777 ( 1.501 0.000 -1.629) 2.215 16.076 ( -3.062 0.000 1.066) 3.242 16.157 ( 10.711 0.000 8.364) 13.590 16.595 ( -6.540 0.000 2.577) 7.029 16.818 ( -5.549 0.000 -9.555) 11.050 17.599 ( -1.898 0.000 0.217) 1.910 17.836 ( -7.491 0.000 -14.064) 15.934 20.534 ( -3.396 0.000 3.044) 4.561 20.761 ( 1.486 0.000 -6.974) 7.130 21.143 ( -13.368 0.000 11.209) 17.445 21.419 ( -15.002 0.000 -26.204) 30.195 23.647 ( -0.984 0.000 1.433) 1.738 23.661 ( -1.180 0.000 1.585) 1.976 23.745 ( -1.161 0.000 3.304) 3.502 23.884 ( 1.709 0.000 -3.044) 3.490 24.033 ( -2.786 0.000 6.229) 6.824 24.057 ( -1.943 0.000 -4.950) 5.318 24.381 ( -0.807 0.000 0.748) 1.100 24.412 ( 2.786 0.000 0.253) 2.797 24.544 ( 0.427 0.000 -6.989) 7.002 24.792 ( 8.879 0.000 10.007) 13.378 24.953 ( -1.444 0.000 1.692) 2.224 25.280 ( 4.903 0.000 -3.770) 6.185 25.525 ( -7.602 0.000 -8.498) 11.402 25.631 ( 0.795 0.000 1.665) 1.845 25.704 ( 4.943 0.000 -1.637) 5.207 25.739 ( -2.357 0.000 4.196) 4.813 25.949 ( -1.552 0.000 -2.019) 2.546 25.980 ( -2.728 0.000 6.211) 6.784 26.334 ( 2.057 0.000 2.688) 3.385 26.537 ( 1.402 0.000 0.477) 1.481 26.929 ( 0.343 0.000 12.232) 12.237 27.233 ( 5.962 0.000 -4.395) 7.407 27.943 ( 3.214 0.000 3.503) 4.754 28.092 ( 6.758 0.000 -1.744) 6.979 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -16.048 0.000 27.573) 31.903 1.457 ( -8.389 0.000 33.090) 34.137 2.406 ( -11.890 0.000 -13.646) 18.099 2.560 ( -8.861 0.000 30.250) 31.521 2.595 ( 1.604 0.000 -1.926) 2.506 2.939 ( 1.709 0.000 -2.230) 2.809 3.074 ( 0.471 0.000 -3.567) 3.598 3.101 ( -5.523 0.000 -0.841) 5.587 3.193 ( 0.518 0.000 7.356) 7.374 3.241 ( 11.732 0.000 -9.675) 15.207 3.279 ( -8.143 0.000 3.466) 8.850 3.665 ( -0.162 0.000 -1.404) 1.414 3.718 ( -3.098 0.000 -0.596) 3.155 3.947 ( 4.964 0.000 4.912) 6.984 4.120 ( 0.017 0.000 -11.663) 11.663 4.282 ( 15.643 0.000 1.498) 15.714 4.514 ( 8.748 0.000 6.313) 10.788 4.556 ( 9.395 0.000 -1.191) 9.470 4.772 ( -3.061 0.000 -0.202) 3.068 4.819 ( 16.400 0.000 4.247) 16.941 4.843 ( 3.209 0.000 0.218) 3.216 4.847 ( -13.053 0.000 -19.302) 23.302 5.132 ( 13.488 0.000 3.698) 13.986 5.260 ( 2.282 0.000 -6.696) 7.074 5.460 ( -1.921 0.000 9.615) 9.805 5.488 ( -2.907 0.000 10.238) 10.642 5.558 ( -2.607 0.000 -2.234) 3.433 5.629 ( -5.289 0.000 3.719) 6.466 5.738 ( 2.221 0.000 -13.451) 13.633 5.806 ( -3.430 0.000 8.554) 9.216 5.933 ( -6.207 0.000 -0.236) 6.211 6.009 ( 6.667 0.000 -11.012) 12.873 6.075 ( -8.564 0.000 -1.859) 8.763 6.188 ( -1.180 0.000 -4.157) 4.321 6.293 ( -4.850 0.000 -4.648) 6.717 6.379 ( -6.020 0.000 -5.121) 7.903 6.518 ( 4.738 0.000 2.874) 5.542 6.702 ( 3.028 0.000 1.579) 3.415 6.798 ( 0.488 0.000 -6.324) 6.343 6.820 ( -5.851 0.000 -0.206) 5.854 6.988 ( 1.917 0.000 -3.147) 3.685 7.038 ( -0.068 0.000 -1.171) 1.173 7.111 ( 2.941 0.000 1.517) 3.309 7.390 ( -0.815 0.000 -0.277) 0.860 7.491 ( 4.092 0.000 -2.425) 4.757 7.632 ( -8.508 0.000 -0.418) 8.518 7.648 ( 10.581 0.000 2.259) 10.820 7.858 ( 8.417 0.000 6.101) 10.396 8.086 ( -2.070 0.000 0.451) 2.119 8.199 ( 2.332 0.000 0.697) 2.434 8.252 ( -3.713 0.000 1.751) 4.106 8.320 ( -0.096 0.000 -0.718) 0.724 8.581 ( 6.431 0.000 5.479) 8.449 8.594 ( 3.412 0.000 2.107) 4.011 8.684 ( 8.716 0.000 -2.712) 9.128 8.740 ( -2.478 0.000 -3.546) 4.326 8.939 ( -10.933 0.000 -1.059) 10.985 9.103 ( 4.100 0.000 4.381) 6.000 9.352 ( -11.815 0.000 -0.228) 11.817 9.507 ( 9.821 0.000 5.903) 11.458 9.805 ( -13.487 0.000 3.491) 13.931 9.835 ( 0.742 0.000 5.151) 5.204 9.995 ( -3.161 0.000 -10.883) 11.333 10.134 ( -0.528 0.000 14.193) 14.203 10.190 ( -1.540 0.000 2.469) 2.910 10.350 ( 7.877 0.000 -1.214) 7.970 10.564 ( 7.644 0.000 0.951) 7.703 10.623 ( -11.113 0.000 -2.812) 11.463 10.662 ( 7.099 0.000 -14.750) 16.369 10.737 ( -2.727 0.000 8.676) 9.095 10.950 ( -0.257 0.000 -11.836) 11.839 10.994 ( 2.266 0.000 -2.457) 3.343 11.234 ( -5.852 0.000 2.690) 6.441 11.317 ( 5.181 0.000 1.893) 5.515 11.695 ( 5.686 0.000 -0.172) 5.688 11.772 ( -3.865 0.000 1.726) 4.233 12.207 ( -0.584 0.000 -9.119) 9.137 12.345 ( -18.339 0.000 4.210) 18.816 12.538 ( 8.187 0.000 2.608) 8.593 12.672 ( 1.795 0.000 4.018) 4.401 13.017 ( -3.922 0.000 -13.073) 13.649 13.026 ( -1.671 0.000 -13.180) 13.286 13.100 ( -2.072 0.000 -4.580) 5.027 13.268 ( -2.894 0.000 1.835) 3.427 13.556 ( 7.514 0.000 8.950) 11.686 13.589 ( -0.738 0.000 9.043) 9.073 14.158 ( 1.299 0.000 1.759) 2.186 14.177 ( 5.044 0.000 -1.550) 5.277 14.214 ( -1.399 0.000 13.200) 13.274 14.383 ( 7.629 0.000 -7.433) 10.651 14.507 ( 5.984 0.000 1.067) 6.079 14.737 ( 7.176 0.000 1.233) 7.281 15.112 ( -9.833 0.000 4.067) 10.641 15.352 ( -7.522 0.000 -4.896) 8.975 15.382 ( -1.216 0.000 -0.368) 1.271 15.523 ( -0.704 0.000 -1.455) 1.616 15.604 ( 1.536 0.000 7.517) 7.672 15.786 ( 0.725 0.000 2.755) 2.848 16.038 ( -3.227 0.000 2.032) 3.814 16.320 ( -1.892 0.000 4.928) 5.279 16.546 ( 1.338 0.000 0.045) 1.339 16.668 ( -1.537 0.000 -10.305) 10.419 17.514 ( -18.500 0.000 -5.461) 19.290 17.554 ( -2.139 0.000 -4.309) 4.811 20.499 ( -1.876 0.000 2.337) 2.996 20.717 ( -3.369 0.000 -8.244) 8.906 20.971 ( -11.136 0.000 8.492) 14.004 21.025 ( -10.876 0.000 -9.855) 14.676 23.644 ( -0.303 0.000 1.603) 1.631 23.648 ( -1.145 0.000 1.626) 1.989 23.748 ( -0.663 0.000 3.553) 3.615 23.880 ( 0.008 0.000 -3.481) 3.481 24.021 ( -2.244 0.000 4.998) 5.479 24.032 ( 1.689 0.000 -3.407) 3.802 24.372 ( -0.928 0.000 1.808) 2.032 24.465 ( 1.966 0.000 -1.492) 2.468 24.542 ( 3.398 0.000 -0.815) 3.495 24.944 ( -1.088 0.000 2.414) 2.648 24.945 ( 4.557 0.000 0.745) 4.617 25.139 ( -11.187 0.000 -13.847) 17.802 25.501 ( 5.051 0.000 -0.174) 5.054 25.639 ( -2.033 0.000 2.097) 2.921 25.715 ( -0.875 0.000 1.776) 1.980 25.775 ( 3.364 0.000 -2.233) 4.038 25.921 ( -0.426 0.000 -1.467) 1.528 25.929 ( -5.121 0.000 3.108) 5.990 26.453 ( 7.062 0.000 1.036) 7.138 26.548 ( -0.415 0.000 0.317) 0.522 27.075 ( 6.366 0.000 13.744) 15.147 27.310 ( 4.874 0.000 -4.066) 6.348 28.031 ( 3.077 0.000 5.584) 6.376 28.210 ( 7.427 0.000 -4.297) 8.581 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.775 9.190 27.260) 29.161 1.796 ( 0.516 15.465 26.651) 30.817 2.145 ( -0.911 -0.149 -18.092) 18.115 2.433 ( -3.326 8.707 -21.278) 23.230 2.899 ( -8.697 -0.811 7.292) 11.378 2.952 ( -0.856 1.878 11.578) 11.760 3.021 ( 6.784 -5.781 -0.786) 8.947 3.077 ( 3.048 -2.529 -4.584) 6.058 3.143 ( -4.243 0.883 8.215) 9.288 3.284 ( 3.081 2.258 22.070) 22.398 3.351 ( 8.958 -0.358 -2.192) 9.229 3.661 ( -2.151 0.583 -2.183) 3.120 3.721 ( -0.277 4.563 3.796) 5.942 3.982 ( 1.416 -6.156 4.416) 7.707 4.055 ( 0.957 -1.208 -9.399) 9.525 4.222 ( -12.116 -3.727 -20.431) 24.044 4.505 ( 2.914 -1.028 5.015) 5.890 4.581 ( 0.116 -0.323 1.741) 1.774 4.702 ( -2.503 -1.904 -1.244) 3.382 4.717 ( -2.768 -3.309 -2.810) 5.149 4.923 ( -1.497 0.886 4.710) 5.021 5.020 ( 0.250 -1.227 -2.788) 3.057 5.320 ( -1.989 0.306 3.869) 4.361 5.383 ( 1.264 -0.097 0.633) 1.417 5.426 ( 7.234 2.741 4.678) 9.040 5.497 ( -0.966 6.448 4.151) 7.729 5.578 ( -4.389 5.460 -6.791) 9.757 5.653 ( -1.538 -0.604 10.121) 10.255 5.710 ( -3.747 5.854 -11.432) 13.379 5.812 ( -2.053 -0.465 -2.117) 2.985 5.850 ( 2.775 -3.099 4.607) 6.207 5.932 ( 4.508 2.225 -2.001) 5.411 6.088 ( 4.634 1.327 0.547) 4.851 6.246 ( -2.067 0.727 -8.602) 8.877 6.285 ( 5.033 4.475 0.557) 6.758 6.334 ( -0.452 6.460 -5.467) 8.475 6.625 ( 5.386 -0.828 2.754) 6.106 6.667 ( -5.971 0.822 -2.126) 6.391 6.753 ( -0.471 -1.749 -1.215) 2.181 6.813 ( 3.477 0.865 -5.683) 6.718 6.998 ( -0.936 3.851 2.034) 4.455 7.047 ( -0.013 2.312 -1.681) 2.859 7.168 ( 2.842 -0.452 2.639) 3.904 7.292 ( -5.944 0.988 -8.863) 10.717 7.494 ( -7.304 -0.374 7.972) 10.819 7.563 ( 2.109 0.647 3.026) 3.745 7.819 ( 7.958 -6.623 5.778) 11.856 7.894 ( 1.542 -8.382 -0.442) 8.534 7.927 ( -4.403 -7.589 1.671) 8.932 8.118 ( -5.984 3.000 -9.771) 11.844 8.198 ( 1.469 -0.898 7.465) 7.661 8.320 ( -3.349 0.952 1.697) 3.873 8.528 ( -2.147 -6.489 -0.444) 6.849 8.630 ( 1.060 0.141 -5.266) 5.374 8.800 ( -1.055 -0.209 4.550) 4.675 8.891 ( 4.509 4.654 -3.565) 7.396 8.953 ( 9.845 2.441 9.197) 13.692 9.135 ( -6.802 0.868 -5.514) 8.799 9.332 ( 3.604 -0.571 5.515) 6.612 9.458 ( -8.214 2.633 -2.669) 9.029 9.580 ( 8.594 -12.968 3.578) 15.964 9.702 ( -1.852 -12.616 -5.460) 13.871 9.960 ( -2.702 0.723 1.402) 3.129 10.134 ( -0.457 1.499 -12.025) 12.126 10.233 ( -4.322 2.974 11.017) 12.202 10.431 ( -2.728 -1.437 2.805) 4.168 10.477 ( 6.137 -2.264 -0.079) 6.542 10.555 ( -0.521 -7.294 -4.752) 8.721 10.686 ( 4.807 -5.836 -0.713) 7.594 10.776 ( -0.352 1.097 -1.317) 1.749 10.815 ( 4.305 -6.461 -1.634) 7.934 10.936 ( -1.974 1.209 -8.892) 9.188 11.347 ( -1.526 4.286 3.587) 5.794 11.398 ( 5.481 1.664 -0.404) 5.742 11.647 ( -8.588 -3.782 3.442) 9.995 11.703 ( 7.146 -3.249 -1.338) 7.963 12.135 ( -6.628 3.611 9.018) 11.760 12.296 ( 4.017 3.276 -4.348) 6.766 12.511 ( -0.118 -5.444 0.448) 5.464 12.615 ( -2.900 -8.905 -7.716) 12.134 12.925 ( -1.783 12.043 9.243) 15.285 13.104 ( -3.500 3.869 -0.505) 5.241 13.179 ( 3.843 1.664 -1.611) 4.487 13.245 ( -3.897 9.548 -5.516) 11.695 13.593 ( -0.202 -3.055 9.501) 9.982 13.728 ( 7.292 -0.828 -1.109) 7.422 14.145 ( -2.619 -4.598 4.308) 6.824 14.167 ( 0.418 -2.263 0.592) 2.376 14.283 ( -1.645 1.628 2.873) 3.689 14.459 ( 4.237 -0.588 -8.852) 9.831 14.617 ( 6.195 -1.443 0.235) 6.366 14.648 ( -8.618 -2.530 -1.685) 9.138 15.097 ( 3.802 0.997 4.259) 5.796 15.225 ( 0.836 -1.702 -5.035) 5.380 15.416 ( 4.036 1.578 -1.589) 4.616 15.423 ( -6.849 -0.792 -0.286) 6.900 15.724 ( 6.459 -4.541 4.209) 8.947 15.786 ( 0.355 -2.484 -0.896) 2.664 16.033 ( 0.040 0.725 5.273) 5.323 16.150 ( -5.517 0.400 -4.848) 7.356 16.703 ( 3.658 11.660 7.761) 14.477 16.890 ( -4.401 17.133 -9.964) 20.302 17.333 ( -2.126 0.593 6.938) 7.280 17.489 ( 1.130 0.463 -6.883) 6.991 20.544 ( 1.489 3.332 1.541) 3.962 20.615 ( -1.950 2.224 -4.641) 5.504 20.880 ( -4.669 1.827 4.468) 6.715 20.969 ( 4.418 -0.742 -2.858) 5.314 23.647 ( -0.132 0.497 1.713) 1.788 23.669 ( 0.434 1.266 0.073) 1.340 23.759 ( 0.137 -0.430 2.920) 2.955 23.844 ( 0.230 -1.434 -4.051) 4.304 24.015 ( -1.905 1.010 3.428) 4.050 24.073 ( 2.711 1.240 -2.065) 3.626 24.324 ( -0.454 -3.917 3.113) 5.024 24.414 ( -0.171 -4.755 -4.809) 6.765 24.670 ( 4.685 1.351 8.898) 10.147 24.842 ( -8.463 0.328 -5.096) 9.884 24.931 ( -1.229 -0.516 2.606) 2.927 25.003 ( 1.077 -0.294 -4.263) 4.406 25.559 ( -1.963 -1.717 0.535) 2.662 25.578 ( 3.653 -1.733 -1.173) 4.210 25.701 ( 1.049 -2.428 1.809) 3.204 25.741 ( -0.925 -3.176 -1.661) 3.701 25.923 ( -2.251 3.769 4.087) 5.998 26.001 ( 1.594 5.946 -2.532) 6.657 26.442 ( 3.630 -9.388 2.454) 10.360 26.483 ( -1.668 -3.957 -1.745) 4.635 27.045 ( 1.825 -7.417 14.025) 15.970 27.336 ( -0.839 -5.331 -12.426) 13.547 28.184 ( -0.020 6.628 4.422) 7.968 28.300 ( 0.239 2.979 -5.525) 6.282 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 15.509 3.766 14.148) 21.328 2.000 ( 12.469 6.774 10.928) 17.910 2.161 ( 6.731 6.102 0.605) 9.106 2.309 ( 4.565 12.990 -20.308) 24.536 2.791 ( -7.236 -2.282 9.024) 11.790 2.867 ( -8.278 -2.316 2.426) 8.931 3.015 ( -7.862 -5.828 1.043) 9.841 3.144 ( 4.855 -1.813 -5.419) 7.498 3.172 ( 7.402 -1.357 -0.866) 7.575 3.407 ( 5.198 -1.166 -4.924) 7.255 3.596 ( 1.167 0.546 0.726) 1.479 3.616 ( -0.220 1.405 2.741) 3.088 3.791 ( 2.912 7.496 15.513) 17.473 3.911 ( -0.340 4.693 -12.960) 13.787 4.040 ( -0.560 -5.954 -2.757) 6.586 4.109 ( 6.821 -5.268 11.155) 14.097 4.318 ( -14.008 2.570 -2.749) 14.504 4.528 ( -13.613 -2.492 -2.402) 14.046 4.676 ( -5.160 -2.670 2.228) 6.222 4.681 ( -0.367 -4.183 5.936) 7.271 4.859 ( -8.825 1.794 2.626) 9.380 4.906 ( -6.434 1.809 -0.704) 6.720 5.199 ( -11.693 -0.762 7.923) 14.145 5.278 ( -9.596 3.201 -6.142) 11.834 5.328 ( -5.990 1.289 -2.021) 6.452 5.582 ( 5.252 3.890 5.098) 8.289 5.607 ( -0.964 6.081 -1.076) 6.250 5.661 ( 3.864 6.693 2.895) 8.253 5.802 ( 0.752 -5.686 6.222) 8.462 5.827 ( 5.098 -0.504 -5.783) 7.726 5.879 ( 0.530 0.184 -1.402) 1.510 6.031 ( 8.106 -0.966 -3.834) 9.019 6.165 ( 4.136 1.501 -9.733) 10.681 6.211 ( 0.490 6.276 -4.285) 7.615 6.285 ( 6.533 2.231 1.129) 6.995 6.432 ( 7.003 3.421 -3.772) 8.658 6.545 ( -2.624 0.866 -1.687) 3.237 6.670 ( -3.224 -3.482 -0.881) 4.826 6.755 ( 1.427 0.376 1.023) 1.796 6.836 ( 2.940 -1.548 -4.136) 5.305 6.992 ( -3.415 4.730 1.272) 5.971 7.029 ( 0.589 3.472 -0.510) 3.558 7.167 ( -3.732 -1.555 -3.666) 5.457 7.246 ( 2.744 0.088 6.292) 6.865 7.415 ( -2.701 4.754 6.028) 8.138 7.647 ( 3.068 -0.393 3.688) 4.813 7.763 ( -8.815 -0.998 -4.670) 10.026 7.823 ( -5.100 -7.834 -0.268) 9.352 8.004 ( 4.478 -6.903 6.996) 10.801 8.044 ( -1.169 -2.214 0.632) 2.583 8.215 ( -4.128 -0.191 -0.852) 4.219 8.336 ( 2.788 0.704 5.119) 5.871 8.475 ( -3.318 -0.834 3.868) 5.163 8.603 ( -1.285 -2.011 -4.042) 4.694 8.819 ( -3.178 -1.038 -4.805) 5.853 8.934 ( -2.133 5.881 -1.746) 6.495 8.970 ( 3.848 3.157 -3.896) 6.321 9.188 ( -4.472 2.665 5.983) 7.931 9.268 ( 12.827 -1.852 -0.769) 12.983 9.560 ( 1.037 -15.497 -5.665) 16.532 9.594 ( 2.437 -4.589 0.719) 5.246 9.803 ( 9.184 -12.931 0.636) 15.873 9.985 ( 2.108 -2.679 5.156) 6.182 10.110 ( 5.119 3.508 -4.587) 7.717 10.197 ( -4.466 3.808 6.974) 9.115 10.346 ( -7.473 -0.959 3.366) 8.252 10.506 ( -1.544 -7.323 -1.609) 7.655 10.586 ( 2.839 -2.718 -5.936) 7.119 10.659 ( -0.752 -4.622 -5.803) 7.457 10.739 ( -2.480 1.421 -2.977) 4.127 10.832 ( 3.571 -4.268 -2.831) 6.244 11.080 ( 13.883 1.212 -2.312) 14.126 11.273 ( -5.955 3.213 0.661) 6.798 11.465 ( 1.887 5.902 -3.638) 7.185 11.552 ( -3.420 -5.621 1.888) 6.845 11.807 ( 2.094 -0.345 0.658) 2.222 12.026 ( -5.429 1.040 5.418) 7.741 12.392 ( 2.978 -2.250 -2.401) 4.438 12.478 ( -3.567 -5.100 5.898) 8.574 12.605 ( 6.759 -2.658 -1.878) 7.502 12.933 ( -2.591 8.101 11.473) 14.282 13.031 ( -4.049 12.238 -6.780) 14.565 13.175 ( -0.578 11.956 4.903) 12.935 13.209 ( -1.235 -0.838 0.214) 1.508 13.615 ( -0.112 -3.005 0.910) 3.142 13.802 ( 2.435 -0.558 -7.579) 7.980 14.086 ( -6.219 -6.410 3.985) 9.780 14.152 ( -2.775 -1.804 1.057) 3.474 14.220 ( -4.905 2.215 3.315) 6.321 14.474 ( 2.056 -1.924 -6.611) 7.185 14.540 ( -1.413 -0.589 -3.184) 3.533 14.699 ( 1.430 -0.774 1.770) 2.404 15.189 ( 5.604 -4.010 -2.622) 7.372 15.272 ( 0.159 -3.189 -1.906) 3.719 15.346 ( 4.683 -1.384 0.617) 4.922 15.478 ( 1.281 2.849 1.419) 3.431 15.752 ( 0.731 -1.286 -3.776) 4.055 15.816 ( -1.417 -2.250 -2.904) 3.937 16.079 ( 2.377 0.612 1.793) 3.040 16.193 ( 7.739 -7.024 5.503) 11.811 16.689 ( -4.324 18.779 0.460) 19.276 16.798 ( -1.315 13.155 -1.279) 13.282 17.415 ( 5.463 -3.188 3.917) 7.440 17.546 ( 7.848 1.742 -4.085) 9.018 20.590 ( 2.844 1.692 0.142) 3.312 20.641 ( 5.719 3.071 -3.176) 7.227 20.864 ( 0.937 1.726 5.796) 6.119 21.099 ( 10.885 -2.164 -3.388) 11.603 23.660 ( 0.693 0.684 1.035) 1.421 23.686 ( 1.500 0.748 -0.647) 1.797 23.786 ( 0.780 -0.541 3.398) 3.528 23.835 ( 1.294 -1.660 -4.263) 4.754 23.991 ( -2.276 1.616 1.674) 3.255 24.111 ( 2.823 0.822 -2.379) 3.783 24.337 ( -0.165 -3.434 3.441) 4.864 24.377 ( -1.532 -4.939 -2.981) 5.969 24.639 ( -7.784 3.389 -1.821) 8.683 24.830 ( 2.528 -0.125 7.931) 8.325 24.937 ( 1.504 -0.533 2.767) 3.194 24.998 ( 0.366 -0.128 -2.173) 2.207 25.504 ( -2.727 0.062 -0.730) 2.824 25.643 ( 2.103 -3.867 -0.849) 4.483 25.700 ( -1.862 -1.571 -1.495) 2.859 25.726 ( 1.324 -2.982 0.216) 3.270 25.927 ( -0.007 4.091 3.580) 5.437 26.037 ( 3.812 4.762 -1.870) 6.380 26.418 ( -3.048 -4.610 -2.617) 6.115 26.504 ( 1.715 -6.447 0.014) 6.672 27.135 ( -0.654 -5.437 9.234) 10.736 27.248 ( -0.214 -5.428 -10.244) 11.595 28.131 ( -7.706 4.503 1.897) 9.125 28.213 ( -6.206 4.173 -1.733) 7.677 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 14.620 5.818 -19.685) 25.201 2.235 ( 9.651 6.791 -3.472) 12.301 2.402 ( 7.592 7.637 14.387) 17.971 2.476 ( 17.924 7.437 11.601) 22.609 2.732 ( -5.823 -3.955 6.233) 9.402 2.765 ( -5.684 -2.167 7.743) 9.847 2.878 ( -2.651 -5.812 -3.952) 7.512 3.145 ( -0.137 1.074 -8.133) 8.204 3.309 ( 4.798 -0.030 1.116) 4.926 3.442 ( 0.162 5.489 -5.398) 7.700 3.528 ( 3.299 -6.197 -11.386) 13.377 3.587 ( -0.596 1.362 -2.709) 3.090 3.807 ( -2.732 -0.130 -3.123) 4.152 3.932 ( -9.719 -2.666 1.755) 10.229 4.023 ( 1.096 6.692 2.970) 7.403 4.129 ( -0.016 -0.658 -4.830) 4.874 4.200 ( -14.054 -3.106 -7.464) 16.213 4.355 ( -1.477 0.243 10.287) 10.396 4.587 ( -4.856 -0.182 6.929) 8.463 4.621 ( -4.986 -1.733 8.598) 10.089 4.701 ( -6.080 0.852 4.542) 7.637 4.872 ( 0.561 -0.270 1.731) 1.840 5.075 ( -6.621 -4.306 7.943) 11.201 5.111 ( -4.952 7.121 0.170) 8.675 5.279 ( -3.311 -1.801 8.235) 9.056 5.572 ( -3.817 9.782 4.956) 11.611 5.635 ( -3.710 2.575 1.811) 4.866 5.664 ( -2.632 1.364 2.724) 4.026 5.777 ( 1.212 3.114 -11.572) 12.044 5.801 ( -0.087 -3.609 -6.629) 7.549 5.932 ( 0.068 -4.881 3.039) 5.750 6.128 ( 6.054 0.387 -2.098) 6.419 6.167 ( 1.819 7.773 -3.428) 8.688 6.310 ( 4.985 0.549 -0.598) 5.051 6.355 ( 4.045 -5.141 -5.623) 8.626 6.478 ( 0.124 -1.612 -3.563) 3.913 6.592 ( 4.794 1.786 -5.460) 7.482 6.644 ( -0.197 -5.507 1.517) 5.715 6.758 ( 2.466 -3.646 -0.241) 4.409 6.889 ( 2.418 6.139 1.990) 6.891 6.925 ( 1.825 -0.320 -2.070) 2.778 7.045 ( 0.222 -0.521 -0.874) 1.042 7.123 ( 0.099 3.042 -1.757) 3.515 7.317 ( 0.628 0.145 6.910) 6.940 7.427 ( -0.663 4.605 1.266) 4.822 7.563 ( -6.598 -0.131 -5.044) 8.306 7.737 ( 1.138 2.013 -0.839) 2.460 7.764 ( -1.929 -4.237 0.776) 4.720 8.025 ( 1.620 -0.953 1.044) 2.150 8.051 ( -4.467 -1.211 4.170) 6.230 8.158 ( -2.942 -0.961 4.252) 5.260 8.324 ( -4.837 -2.422 2.008) 5.770 8.493 ( -0.304 7.813 6.120) 9.929 8.548 ( -3.822 1.364 0.197) 4.063 8.663 ( -4.279 -1.743 -3.887) 6.038 8.873 ( -0.094 3.355 -7.523) 8.238 9.067 ( 3.619 -0.165 1.363) 3.871 9.244 ( 7.254 3.270 3.005) 8.505 9.414 ( -1.623 -10.587 -12.024) 16.103 9.535 ( 8.227 -3.049 -0.194) 8.776 9.674 ( 3.478 -11.668 3.078) 12.558 9.863 ( -2.171 -4.955 -1.054) 5.512 10.036 ( -8.177 -8.744 -0.746) 11.995 10.147 ( 6.068 -3.546 4.904) 8.570 10.249 ( 0.338 10.615 0.061) 10.620 10.278 ( 1.519 0.291 5.472) 5.687 10.445 ( -3.127 -3.060 3.985) 5.918 10.533 ( 2.035 -1.236 -12.695) 12.917 10.654 ( -0.283 -1.433 -5.755) 5.937 10.759 ( 6.423 -3.450 1.892) 7.532 10.906 ( 2.848 -4.567 4.541) 7.042 11.183 ( -1.944 -0.850 -0.999) 2.345 11.273 ( 8.223 9.991 -8.973) 15.747 11.483 ( 1.404 -1.245 0.023) 1.877 11.518 ( 0.762 0.037 -2.340) 2.462 11.709 ( -10.670 1.587 5.002) 11.891 12.101 ( 7.583 -5.682 2.482) 9.796 12.311 ( -4.027 -4.613 -3.667) 7.137 12.521 ( -1.641 -5.437 13.311) 14.472 12.773 ( 8.889 -3.084 -0.018) 9.409 12.873 ( -5.237 11.820 -6.980) 14.692 12.990 ( -0.552 3.857 7.756) 8.680 13.135 ( -4.548 -0.321 3.819) 5.947 13.314 ( 7.442 15.818 10.595) 20.441 13.602 ( 0.493 -1.740 -5.251) 5.554 13.774 ( 1.003 0.750 -7.635) 7.737 13.972 ( -8.087 -7.126 2.659) 11.101 14.110 ( -2.581 -0.632 2.784) 3.849 14.155 ( -3.254 -1.169 -2.605) 4.329 14.446 ( -2.590 -1.734 -2.862) 4.231 14.525 ( 2.304 1.904 -5.591) 6.340 14.691 ( -1.617 5.346 -1.972) 5.923 15.239 ( 2.266 -4.481 -1.137) 5.148 15.319 ( 5.306 -7.969 0.394) 9.582 15.455 ( 2.304 0.191 1.797) 2.928 15.467 ( -0.775 0.049 -0.554) 0.954 15.718 ( -5.737 -2.041 -2.074) 6.432 15.801 ( 5.993 3.239 -2.348) 7.206 16.108 ( -0.908 1.280 2.724) 3.143 16.253 ( -5.450 -7.575 0.500) 9.345 16.717 ( 8.180 16.050 -1.919) 18.116 16.817 ( 2.840 11.741 3.438) 12.559 17.550 ( 6.376 -5.074 3.578) 8.899 17.664 ( 6.669 -0.578 -3.089) 7.372 20.644 ( 2.511 0.797 -0.246) 2.646 20.707 ( 4.280 2.433 -6.444) 8.109 21.003 ( 7.580 0.799 12.604) 14.730 21.305 ( 13.947 -3.829 -4.597) 15.176 23.680 ( 0.967 0.809 0.287) 1.293 23.711 ( 1.780 0.537 -1.436) 2.349 23.812 ( 0.208 -0.756 0.019) 0.784 23.849 ( 1.908 -1.019 0.412) 2.202 23.957 ( -1.951 1.922 0.552) 2.794 24.145 ( 2.663 0.148 -3.393) 4.316 24.316 ( -4.316 -4.112 2.042) 6.302 24.359 ( 0.489 -2.855 1.123) 3.107 24.525 ( -3.517 3.854 -1.171) 5.347 24.831 ( -3.134 -2.637 -0.204) 4.101 24.983 ( 0.148 0.248 0.195) 0.349 25.052 ( 3.219 -1.413 8.654) 9.341 25.468 ( -0.338 0.814 -0.190) 0.901 25.629 ( -2.685 -3.179 0.594) 4.203 25.663 ( -1.299 -0.906 -1.152) 1.958 25.763 ( 3.143 -4.955 -3.604) 6.886 25.953 ( 0.582 4.303 3.190) 5.388 26.104 ( 4.039 2.878 -1.769) 5.265 26.352 ( -1.684 -3.096 -3.218) 4.772 26.515 ( -0.230 -4.226 -0.635) 4.280 27.108 ( -1.048 -1.435 -5.216) 5.510 27.242 ( -0.095 0.419 1.682) 1.736 27.969 ( -8.599 0.810 -1.361) 8.744 28.085 ( -7.999 3.233 2.604) 9.012 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 12.787 5.925 -12.720) 18.985 2.428 ( 11.425 5.461 0.238) 12.665 2.581 ( -13.048 -2.212 6.781) 14.870 2.591 ( 8.671 9.305 0.251) 12.721 2.650 ( -4.778 4.944 13.894) 15.503 2.863 ( 3.328 -4.731 8.789) 10.522 2.961 ( 14.148 -1.887 -5.951) 15.464 3.069 ( -1.017 1.055 -6.796) 6.952 3.276 ( -6.530 4.735 -3.832) 8.930 3.397 ( -7.997 2.607 0.817) 8.451 3.465 ( -4.636 -0.828 -1.659) 4.993 3.611 ( -3.201 -2.417 -8.724) 9.602 3.698 ( 5.891 0.907 -2.872) 6.616 3.836 ( -3.577 2.067 0.518) 4.163 3.896 ( -2.344 -1.265 -4.238) 5.005 4.118 ( -3.931 0.561 -2.740) 4.824 4.154 ( 3.830 1.429 -0.192) 4.092 4.233 ( -5.018 6.596 -6.363) 10.448 4.436 ( -5.456 3.833 0.836) 6.720 4.640 ( -2.835 -3.593 3.821) 5.963 4.784 ( 3.671 -8.035 11.514) 14.512 4.954 ( 6.050 -4.381 2.733) 7.953 5.042 ( -5.703 5.554 9.650) 12.510 5.056 ( -2.132 -1.388 10.035) 10.353 5.255 ( -6.719 -5.235 10.693) 13.670 5.497 ( -5.607 3.953 1.222) 6.969 5.538 ( -6.078 1.206 -1.618) 6.404 5.634 ( -2.696 -1.976 0.866) 3.453 5.782 ( 4.444 1.894 -3.491) 5.960 5.810 ( 3.759 -2.136 -2.064) 4.791 5.958 ( 4.647 -1.923 -0.027) 5.029 6.181 ( -2.612 0.148 -0.222) 2.626 6.204 ( 1.938 1.746 -6.599) 7.096 6.266 ( 3.196 -3.413 -4.008) 6.158 6.353 ( -6.851 -5.179 -2.272) 8.884 6.482 ( 2.024 -2.991 -2.212) 4.234 6.599 ( 3.178 -3.411 -0.818) 4.733 6.689 ( 2.865 0.762 -0.500) 3.006 6.838 ( 4.087 -3.855 1.893) 5.928 6.913 ( 2.678 0.585 -2.596) 3.775 7.015 ( -0.346 -0.516 -1.675) 1.786 7.077 ( 6.854 3.164 0.248) 7.553 7.142 ( 2.433 9.090 2.276) 9.682 7.316 ( -3.103 1.526 0.484) 3.492 7.404 ( -2.870 6.578 0.473) 7.193 7.533 ( 6.588 -1.862 0.963) 6.914 7.634 ( -6.099 2.752 -9.883) 11.936 7.742 ( -1.024 -1.152 -2.307) 2.775 7.907 ( -10.080 -1.406 -3.614) 10.800 8.076 ( -8.504 7.072 1.777) 11.202 8.127 ( 3.733 4.258 6.456) 8.587 8.298 ( -0.627 -4.752 4.327) 6.457 8.379 ( -6.246 5.313 1.277) 8.298 8.620 ( 2.061 4.960 12.988) 14.055 8.669 ( 5.281 -6.554 -4.520) 9.554 8.847 ( 1.514 3.369 -5.865) 6.931 9.126 ( 2.040 -0.106 3.315) 3.894 9.283 ( -2.801 -3.223 -9.220) 10.161 9.412 ( 7.099 -3.240 2.152) 8.095 9.607 ( -0.406 -8.931 -1.964) 9.154 9.750 ( -4.550 -4.563 1.149) 6.546 9.804 ( 1.480 -1.734 -4.826) 5.337 9.862 ( -3.754 -7.609 1.509) 8.618 10.189 ( -4.687 6.859 6.160) 10.342 10.244 ( 2.908 0.811 -4.489) 5.410 10.336 ( -1.905 0.855 -7.317) 7.609 10.401 ( -0.210 0.504 6.632) 6.655 10.576 ( 3.648 -1.312 -5.786) 6.964 10.694 ( 7.454 -4.906 -0.140) 8.925 10.882 ( 4.559 0.679 4.279) 6.290 10.991 ( 3.874 -1.008 8.686) 9.564 11.188 ( 0.913 -1.870 -1.343) 2.477 11.262 ( 1.135 11.320 -17.240) 20.656 11.481 ( -0.126 -5.320 1.452) 5.516 11.534 ( -2.269 -1.855 -0.542) 2.980 11.595 ( -4.771 -0.476 4.878) 6.840 12.228 ( 6.093 -9.263 2.210) 11.306 12.337 ( 6.352 1.609 4.815) 8.132 12.519 ( -5.626 -5.802 8.417) 11.669 12.745 ( -4.107 2.389 -0.986) 4.853 12.926 ( 6.322 -3.850 -1.263) 7.509 12.965 ( -4.922 -1.474 7.059) 8.731 13.108 ( -1.829 1.464 -1.602) 2.838 13.417 ( -0.243 2.303 -3.245) 3.987 13.669 ( 4.901 4.911 6.177) 9.290 13.773 ( 4.730 -0.575 -6.844) 8.339 13.856 ( -5.218 -1.145 3.819) 6.566 14.054 ( -4.504 -4.857 -3.685) 7.580 14.110 ( -0.199 2.258 3.520) 4.186 14.388 ( -2.802 2.136 2.451) 4.292 14.528 ( 2.019 5.899 -8.189) 10.293 14.633 ( -1.964 10.007 -7.600) 12.718 15.284 ( 2.484 -3.930 -0.346) 4.662 15.391 ( -0.682 -7.719 0.293) 7.755 15.407 ( 1.093 -0.991 -3.058) 3.395 15.534 ( 1.653 -1.849 6.156) 6.636 15.607 ( -4.006 -1.529 -0.131) 4.289 15.916 ( 5.940 2.257 -1.456) 6.519 16.059 ( -6.571 0.841 1.729) 6.846 16.122 ( -4.278 1.341 -2.537) 5.151 16.861 ( 3.592 11.645 5.833) 13.510 16.904 ( 6.432 7.997 -2.329) 10.523 17.650 ( -0.047 -4.839 7.873) 9.241 17.756 ( 7.827 -3.013 -8.050) 11.625 20.663 ( -0.819 1.225 1.706) 2.255 20.740 ( 4.501 1.002 -9.399) 10.470 21.211 ( 4.361 -0.453 17.192) 17.742 21.528 ( 13.915 -5.611 -7.922) 16.966 23.693 ( 0.449 0.939 -0.525) 1.166 23.726 ( 0.696 0.702 -1.866) 2.112 23.802 ( -0.729 0.036 0.073) 0.733 23.877 ( 0.783 2.173 -3.634) 4.306 23.958 ( 0.730 -1.332 7.376) 7.531 24.164 ( 1.551 -1.065 -3.798) 4.238 24.252 ( -4.382 -2.880 4.897) 7.175 24.370 ( 0.150 -1.674 0.510) 1.757 24.489 ( -0.938 2.200 0.848) 2.538 24.745 ( -3.965 -3.917 -6.269) 8.389 24.998 ( 1.344 0.625 1.137) 1.868 25.099 ( -2.668 -1.884 5.300) 6.225 25.505 ( 2.901 -0.678 3.686) 4.739 25.590 ( -1.316 -1.912 1.163) 2.596 25.638 ( -0.776 -0.478 -1.400) 1.671 25.780 ( 1.328 -6.412 -5.466) 8.530 25.981 ( 0.369 4.137 3.442) 5.394 26.133 ( 0.616 1.482 -3.578) 3.921 26.349 ( 2.600 -0.577 -0.576) 2.725 26.491 ( -1.709 -2.417 -1.362) 3.259 27.088 ( 1.884 3.275 -4.074) 5.556 27.212 ( -3.501 6.477 -1.099) 7.444 27.859 ( -2.273 -3.177 -0.117) 3.908 27.962 ( -7.108 0.312 2.887) 7.678 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -20.000 2.166 8.315) 21.768 2.448 ( 9.112 4.227 -3.250) 10.558 2.512 ( -10.130 4.708 16.852) 20.219 2.604 ( -8.574 9.818 5.273) 14.061 2.811 ( 4.957 0.655 3.886) 6.332 2.892 ( 9.229 2.905 -5.180) 10.974 2.957 ( 0.996 -3.625 -7.852) 8.706 3.154 ( 5.325 3.910 -16.211) 17.505 3.240 ( -2.044 4.950 -0.207) 5.359 3.264 ( 7.966 1.956 -0.647) 8.228 3.416 ( -1.158 -1.405 3.501) 3.947 3.535 ( -1.693 0.298 -6.412) 6.638 3.718 ( -3.875 -2.013 3.549) 5.627 3.788 ( 1.969 -2.179 -2.471) 3.838 3.952 ( -8.290 3.812 -1.285) 9.215 3.989 ( 3.363 3.382 -1.023) 4.878 4.162 ( -0.528 8.251 -2.942) 8.775 4.178 ( 0.559 4.360 -5.066) 6.708 4.453 ( 3.957 -0.243 5.676) 6.923 4.562 ( -4.817 -2.760 -3.317) 6.468 4.947 ( 2.038 -3.667 11.928) 12.644 4.972 ( -2.573 -2.179 15.268) 15.635 5.066 ( -4.009 -1.232 6.303) 7.571 5.131 ( 6.390 -1.651 0.827) 6.652 5.188 ( 0.270 -3.852 6.862) 7.873 5.427 ( -0.820 0.621 -10.690) 10.739 5.466 ( -1.807 -3.644 8.141) 9.101 5.618 ( 1.240 -5.814 1.618) 6.161 5.774 ( -1.827 -7.450 -4.983) 9.147 5.870 ( 2.854 -3.319 -4.276) 6.119 6.009 ( -7.557 -1.335 -1.121) 7.756 6.092 ( 8.759 -1.849 -5.934) 10.740 6.231 ( -4.225 -4.185 -2.114) 6.312 6.274 ( 3.733 1.843 -2.616) 4.916 6.357 ( 6.163 -3.476 1.710) 7.279 6.429 ( -3.561 -6.481 -4.498) 8.655 6.686 ( -1.171 -2.900 1.559) 3.494 6.747 ( 5.648 4.654 -1.214) 7.418 6.861 ( -0.623 -3.746 2.132) 4.355 6.969 ( 3.145 0.799 -5.518) 6.401 7.021 ( 1.896 1.722 4.650) 5.308 7.102 ( -2.524 2.484 -1.033) 3.689 7.231 ( 1.534 11.842 5.135) 12.998 7.273 ( -0.713 1.482 0.574) 1.742 7.344 ( -2.532 4.133 -0.873) 4.925 7.439 ( -5.993 7.859 -9.036) 13.391 7.673 ( -0.353 -0.193 0.270) 0.485 7.723 ( 1.397 -2.543 -3.867) 4.834 7.811 ( 0.634 4.191 2.317) 4.831 7.891 ( -2.647 6.031 -3.554) 7.485 8.187 ( -1.920 4.093 5.689) 7.267 8.299 ( 2.630 2.622 -3.509) 5.110 8.368 ( -2.526 -6.268 13.610) 15.195 8.652 ( 0.036 3.564 -1.365) 3.817 8.762 ( 3.046 -4.036 -2.972) 5.865 8.862 ( 3.462 3.499 -5.314) 7.243 9.177 ( 0.637 -0.638 3.377) 3.496 9.229 ( -0.619 -1.938 -0.554) 2.108 9.494 ( 1.080 -2.129 0.536) 2.447 9.565 ( -1.866 -6.123 5.519) 8.452 9.629 ( -6.822 -3.525 -4.332) 8.816 9.758 ( 2.860 -4.911 -2.342) 6.147 9.961 ( 2.393 0.044 5.644) 6.130 10.101 ( -5.709 7.409 -5.591) 10.897 10.191 ( -3.803 3.702 2.753) 5.980 10.334 ( 4.456 -3.302 -4.123) 6.911 10.435 ( 0.285 -1.777 2.950) 3.456 10.600 ( 4.659 2.396 -8.664) 10.125 10.798 ( 3.011 -2.241 3.185) 4.922 10.937 ( -3.151 1.901 -6.068) 7.097 11.084 ( 0.451 2.465 4.779) 5.396 11.165 ( 0.522 1.103 -5.213) 5.354 11.292 ( 9.823 2.349 6.173) 11.837 11.434 ( -8.615 -1.767 -3.448) 9.446 11.504 ( 0.030 -3.374 0.953) 3.506 11.532 ( -0.577 -4.192 -2.969) 5.169 12.383 ( 4.812 -8.338 6.790) 11.781 12.436 ( -3.471 -5.555 4.217) 7.791 12.515 ( 5.341 0.858 7.504) 9.251 12.686 ( -3.132 -4.407 3.366) 6.369 12.859 ( -6.076 -0.196 -3.588) 7.059 13.004 ( -0.485 -2.038 -9.807) 10.028 13.095 ( 5.371 -8.906 11.094) 15.207 13.351 ( -3.767 -4.747 -9.358) 11.149 13.665 ( -4.707 -2.393 6.328) 8.242 13.816 ( 1.913 -0.381 -4.461) 4.869 13.914 ( 3.034 2.296 2.275) 4.433 13.967 ( -0.423 -4.271 -3.514) 5.547 14.178 ( 2.489 13.538 12.940) 18.892 14.381 ( -0.266 5.569 3.441) 6.552 14.503 ( -0.390 13.909 -11.822) 18.259 14.535 ( -0.850 5.396 -9.174) 10.677 15.313 ( 0.653 -2.661 0.213) 2.748 15.329 ( -2.507 -3.493 -1.367) 4.511 15.454 ( -2.450 -6.132 2.545) 7.077 15.494 ( 1.353 -4.184 -1.212) 4.561 15.707 ( 8.040 0.595 6.805) 10.550 15.855 ( -6.702 0.393 -5.780) 8.858 15.995 ( -7.113 3.885 6.390) 10.321 16.119 ( 6.524 2.419 -4.992) 8.564 16.870 ( -5.790 8.354 7.538) 12.654 17.012 ( 6.134 8.627 -5.135) 11.765 17.639 ( -5.311 -4.582 8.439) 10.973 17.853 ( 7.915 -3.874 -10.477) 13.690 20.643 ( -2.502 1.765 2.364) 3.869 20.759 ( 3.317 0.079 -8.582) 9.201 21.319 ( -3.461 -1.209 16.664) 17.063 21.681 ( 8.920 -6.940 -14.408) 18.312 23.687 ( -0.883 0.972 -0.039) 1.313 23.718 ( -0.253 1.380 -1.545) 2.087 23.790 ( -1.420 1.963 1.346) 2.771 23.861 ( 1.144 1.345 -4.712) 5.032 24.031 ( 0.453 -1.803 8.851) 9.044 24.158 ( -0.198 -2.356 -2.858) 3.709 24.239 ( -0.639 -3.550 9.175) 9.858 24.367 ( -0.416 -1.771 -0.964) 2.059 24.483 ( -0.902 1.197 2.719) 3.105 24.637 ( -2.282 -3.271 -9.331) 10.148 25.039 ( -1.125 -0.345 2.693) 2.939 25.063 ( 0.987 0.221 0.691) 1.225 25.563 ( 0.593 -2.129 3.400) 4.055 25.611 ( 0.913 -1.901 1.447) 2.558 25.627 ( 1.208 -1.050 0.755) 1.770 25.745 ( -1.468 -6.293 -6.664) 9.282 26.003 ( -0.540 3.700 4.550) 5.889 26.104 ( -1.061 2.340 -3.776) 4.567 26.408 ( 2.248 -0.939 0.924) 2.605 26.443 ( -1.676 -0.703 -2.362) 2.980 27.068 ( -6.342 8.277 3.076) 10.872 27.180 ( 5.748 6.436 -7.078) 11.161 27.860 ( -3.505 -2.701 3.049) 5.373 27.893 ( 3.005 -3.099 0.003) 4.317 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -23.396 6.604 13.669) 27.890 2.205 ( -24.863 16.017 13.722) 32.604 2.544 ( -4.956 9.130 15.373) 18.554 2.592 ( 2.551 -1.512 5.562) 6.303 2.788 ( -0.805 -5.280 -3.672) 6.482 2.982 ( 4.365 -3.321 -10.873) 12.178 3.074 ( -3.008 -0.509 -4.363) 5.323 3.122 ( 5.797 3.099 -2.475) 7.024 3.242 ( 4.000 5.022 -8.604) 10.735 3.423 ( 1.002 6.415 -1.858) 6.753 3.446 ( -0.413 0.476 -2.183) 2.273 3.490 ( 5.754 -2.670 -2.371) 6.772 3.680 ( 0.262 1.491 0.573) 1.619 3.807 ( -0.944 1.684 2.152) 2.892 3.856 ( 5.449 -1.400 1.587) 5.845 3.988 ( -3.683 6.175 4.694) 8.586 4.153 ( 2.025 4.945 0.879) 5.415 4.237 ( 7.791 1.948 -4.907) 9.412 4.476 ( -0.458 -2.496 -3.030) 3.953 4.584 ( 4.754 -0.944 6.000) 7.713 4.897 ( -6.643 -4.623 6.076) 10.120 4.956 ( -5.267 0.120 1.349) 5.439 5.146 ( 4.643 -1.941 6.068) 7.884 5.242 ( 6.373 -3.423 3.451) 8.016 5.329 ( 5.818 1.748 2.132) 6.439 5.404 ( 1.064 -3.956 -5.109) 6.549 5.492 ( 3.475 -0.708 4.073) 5.400 5.682 ( 1.788 -8.976 1.916) 9.351 5.733 ( -0.214 -3.326 2.826) 4.370 5.861 ( 4.326 -7.138 -8.102) 11.632 5.952 ( 0.174 2.528 -2.333) 3.445 6.139 ( -4.510 -1.751 0.723) 4.892 6.228 ( 2.719 -3.242 -5.036) 6.578 6.247 ( -0.024 4.350 -5.675) 7.150 6.363 ( 0.702 -8.534 -2.778) 9.002 6.479 ( 4.209 -2.546 -0.346) 4.932 6.587 ( -9.195 1.787 -1.806) 9.540 6.751 ( -2.178 -1.774 -3.283) 4.321 6.807 ( -4.783 -3.818 -0.242) 6.125 6.976 ( -0.154 -1.272 -2.772) 3.054 7.003 ( -1.880 1.137 -0.802) 2.339 7.074 ( -3.374 4.492 -0.118) 5.619 7.223 ( -3.407 3.742 -2.308) 5.562 7.297 ( -1.205 9.118 3.859) 9.974 7.361 ( 1.715 4.986 0.869) 5.344 7.416 ( 9.033 4.041 6.844) 12.032 7.631 ( -5.596 2.834 -3.288) 7.082 7.674 ( 1.169 -2.271 0.524) 2.607 7.819 ( 7.412 -1.062 2.173) 7.796 8.090 ( 11.763 4.389 0.917) 12.589 8.146 ( -4.297 3.535 3.276) 6.457 8.339 ( 1.886 1.150 1.040) 2.441 8.413 ( -0.188 -5.195 10.765) 11.955 8.618 ( -0.722 1.601 -10.643) 10.787 8.754 ( -0.325 2.143 -1.044) 2.406 8.877 ( 1.488 2.691 -9.509) 9.994 9.168 ( -4.563 -1.875 1.465) 5.146 9.184 ( -2.620 -1.038 2.111) 3.521 9.478 ( -3.768 -2.484 -2.778) 5.299 9.559 ( 0.969 -7.194 -0.403) 7.270 9.635 ( 3.262 2.429 12.673) 13.309 9.800 ( -0.185 4.036 -5.451) 6.785 9.895 ( -2.470 -0.994 2.295) 3.514 10.088 ( 0.745 1.548 6.459) 6.684 10.168 ( -0.061 2.416 1.248) 2.720 10.387 ( 0.993 -3.466 1.035) 3.751 10.455 ( 3.398 -0.364 -7.859) 8.570 10.646 ( 4.943 2.479 -7.672) 9.457 10.759 ( -8.467 -0.738 -7.229) 11.158 10.863 ( 0.144 0.509 6.616) 6.638 11.060 ( -4.356 0.743 -0.979) 4.526 11.166 ( -0.194 -0.917 1.276) 1.583 11.223 ( -7.187 1.672 -10.594) 12.911 11.488 ( -0.904 -1.489 1.393) 2.230 11.505 ( 0.180 -5.747 -0.670) 5.788 11.586 ( 11.541 -1.248 6.341) 13.227 12.326 ( -6.875 -8.181 -1.355) 10.772 12.445 ( -10.275 -2.613 -3.113) 11.049 12.522 ( 3.319 -5.445 5.455) 8.392 12.685 ( -1.488 1.832 -0.566) 2.427 12.878 ( 7.580 -3.070 14.072) 16.276 13.019 ( 4.826 -5.669 -6.732) 10.037 13.188 ( -5.601 -9.092 -11.437) 15.647 13.263 ( 4.990 -7.871 11.685) 14.946 13.601 ( -6.090 0.791 5.364) 8.153 13.790 ( -5.540 0.280 -2.968) 6.291 13.913 ( 3.133 -3.224 -0.461) 4.519 14.028 ( 4.884 1.155 -1.333) 5.193 14.276 ( -2.527 14.296 3.104) 14.846 14.349 ( -0.223 11.908 -1.801) 12.046 14.451 ( 1.851 8.256 0.011) 8.461 14.547 ( 5.205 4.643 -5.704) 9.011 15.264 ( -3.181 -3.322 0.381) 4.615 15.354 ( 0.527 -1.236 1.904) 2.330 15.374 ( -3.285 -8.176 1.039) 8.873 15.579 ( 4.919 -2.637 1.411) 5.757 15.706 ( -5.482 0.186 -6.884) 8.803 15.848 ( -4.028 2.283 4.562) 6.500 15.962 ( 8.378 2.961 5.091) 10.241 16.180 ( 1.357 3.606 -2.933) 4.843 16.760 ( -9.970 5.988 5.973) 13.074 17.042 ( 0.245 9.893 -5.004) 11.090 17.588 ( -3.909 -4.604 4.978) 7.827 17.896 ( 3.025 -4.059 -11.606) 12.661 20.605 ( -3.135 2.288 2.775) 4.771 20.763 ( 2.006 -0.398 -6.878) 7.175 21.277 ( -10.179 -1.355 12.957) 16.533 21.651 ( -1.560 -6.710 -21.429) 22.509 23.668 ( -1.549 0.886 1.608) 2.402 23.703 ( -0.554 2.160 -0.915) 2.410 23.768 ( -1.753 1.712 1.949) 3.131 23.871 ( 1.965 0.724 -2.586) 3.328 24.050 ( -2.237 -0.075 5.879) 6.290 24.111 ( -2.680 -2.370 -4.368) 5.646 24.308 ( 0.361 -4.890 4.778) 6.846 24.379 ( 3.351 -3.341 0.732) 4.788 24.503 ( 0.325 -2.183 6.910) 7.254 24.582 ( 1.589 -0.861 -3.629) 4.054 25.000 ( -2.155 1.285 1.312) 2.831 25.146 ( 5.182 -1.267 0.778) 5.391 25.584 ( 0.181 -2.079 1.632) 2.649 25.622 ( 1.746 -1.597 -0.907) 2.534 25.648 ( -4.570 -4.599 -7.300) 9.763 25.669 ( 0.189 -3.994 3.878) 5.571 26.012 ( -1.758 2.890 5.717) 6.642 26.062 ( -1.255 3.945 -2.701) 4.943 26.356 ( -4.151 -0.319 -1.501) 4.426 26.477 ( 2.703 -1.429 0.053) 3.058 26.964 ( -6.231 5.407 4.545) 9.419 27.284 ( 8.362 9.582 -5.677) 13.927 27.829 ( -0.207 -4.461 2.656) 5.196 27.998 ( 7.149 -0.397 -0.134) 7.161 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -19.190 10.345 20.457) 29.896 1.870 ( -21.092 19.236 16.702) 33.074 2.560 ( -5.212 11.137 25.554) 28.358 2.586 ( -8.848 -3.090 10.757) 14.267 2.762 ( -0.182 -0.556 -7.799) 7.821 2.955 ( -2.162 0.404 -14.159) 14.328 2.988 ( 1.601 -6.000 -7.368) 9.636 3.089 ( -1.270 -3.900 -6.423) 7.620 3.255 ( -1.278 6.598 2.318) 7.109 3.299 ( -9.454 2.705 -2.017) 10.038 3.378 ( -2.217 1.562 -0.198) 2.719 3.582 ( 4.611 -4.969 -1.819) 7.019 3.785 ( 1.542 2.237 -1.404) 3.058 3.936 ( -1.381 4.114 3.451) 5.544 3.960 ( 16.017 0.372 2.726) 16.252 4.056 ( 10.102 -0.897 5.112) 11.357 4.224 ( 4.372 -3.367 -4.164) 6.913 4.369 ( 11.336 1.781 -0.968) 11.516 4.579 ( 10.316 2.644 3.972) 11.366 4.692 ( 4.458 -2.326 4.562) 6.789 4.803 ( -5.318 -6.721 0.633) 8.594 4.913 ( 2.219 0.321 -3.933) 4.527 5.211 ( 0.788 -0.441 -2.080) 2.268 5.311 ( 2.038 -0.059 -8.455) 8.697 5.409 ( 1.203 1.159 11.255) 11.378 5.439 ( 2.664 0.329 0.219) 2.694 5.603 ( 3.294 3.017 4.861) 6.601 5.685 ( -0.795 -0.257 1.356) 1.592 5.732 ( -0.329 -2.812 -2.542) 3.805 5.853 ( -3.792 -0.795 -10.833) 11.504 5.988 ( 6.990 1.409 -3.923) 8.139 6.097 ( -0.442 -1.101 1.480) 1.896 6.139 ( -5.444 0.134 -0.940) 5.526 6.279 ( 2.909 -0.054 -3.460) 4.521 6.347 ( -8.626 0.058 -4.923) 9.932 6.392 ( -1.099 -3.260 3.364) 4.812 6.509 ( -4.106 -0.304 0.715) 4.179 6.687 ( -0.024 -2.880 -1.143) 3.098 6.778 ( -0.790 -8.108 -1.508) 8.285 6.918 ( -0.631 0.755 -1.440) 1.744 6.970 ( -4.771 5.707 -3.050) 8.040 7.027 ( 1.423 -0.133 0.075) 1.432 7.139 ( -2.453 3.406 -3.997) 5.796 7.342 ( 1.972 0.523 7.527) 7.798 7.420 ( 4.590 2.772 4.271) 6.855 7.554 ( -0.242 2.290 -8.682) 8.982 7.618 ( 7.809 -3.394 6.315) 10.601 7.725 ( 1.017 -3.540 1.194) 3.872 7.991 ( 4.462 -0.819 4.875) 6.659 8.115 ( 2.820 4.816 3.824) 6.766 8.221 ( 0.608 -4.297 0.600) 4.381 8.393 ( 2.580 4.244 0.162) 4.969 8.440 ( -2.786 -6.379 4.770) 8.438 8.564 ( 4.487 4.774 -4.956) 8.215 8.769 ( 1.866 6.927 -1.270) 7.285 8.797 ( -1.993 2.839 -11.994) 12.486 9.083 ( -4.398 -0.568 0.477) 4.460 9.170 ( -3.292 -1.520 6.087) 7.085 9.366 ( -4.056 1.073 -5.145) 6.639 9.569 ( -4.036 0.981 -2.023) 4.620 9.654 ( -2.779 -6.853 3.940) 8.379 9.805 ( 2.838 0.290 6.014) 6.656 10.016 ( 9.482 0.082 3.502) 10.108 10.139 ( 0.611 -1.019 7.818) 7.908 10.200 ( 1.701 2.579 1.305) 3.353 10.329 ( -6.278 -0.458 -2.100) 6.636 10.459 ( -1.173 1.592 -3.819) 4.301 10.559 ( -3.530 -7.106 -11.073) 13.622 10.697 ( 2.319 -0.517 -4.373) 4.977 10.849 ( -3.754 -3.259 -1.017) 5.074 10.947 ( -7.367 -1.944 -0.526) 7.637 11.121 ( 1.214 8.669 0.758) 8.786 11.161 ( -0.989 -5.041 -2.662) 5.786 11.444 ( -4.084 3.224 1.523) 5.421 11.522 ( 2.491 -5.377 -0.033) 5.926 11.777 ( 4.566 -1.902 2.893) 5.731 12.155 ( -6.969 -13.204 -4.159) 15.499 12.321 ( -1.025 0.111 -2.609) 2.805 12.580 ( -1.704 -2.962 6.068) 6.964 12.709 ( 3.329 7.048 4.554) 9.027 12.937 ( -5.285 -11.635 -13.897) 18.879 13.077 ( 5.063 -2.072 6.223) 8.286 13.163 ( 3.559 -6.179 1.000) 7.200 13.372 ( 1.483 1.275 4.920) 5.295 13.542 ( -4.850 0.235 7.203) 8.687 13.615 ( -7.904 6.565 -2.782) 10.644 14.002 ( 5.383 -5.275 1.686) 7.723 14.118 ( 5.295 1.574 0.681) 5.565 14.182 ( -1.592 5.691 -6.119) 8.506 14.406 ( 1.917 6.726 4.370) 8.247 14.482 ( 2.155 6.176 -3.029) 7.208 14.643 ( 6.264 4.916 0.322) 7.969 15.201 ( -4.932 -3.231 1.353) 6.049 15.291 ( -3.952 -7.726 1.056) 8.742 15.419 ( 2.540 -1.292 3.029) 4.159 15.574 ( -4.973 1.603 -6.566) 8.391 15.666 ( 2.908 -0.284 3.098) 4.258 15.758 ( -5.351 1.348 1.094) 5.626 16.135 ( -3.423 4.055 -0.064) 5.307 16.213 ( 12.886 0.791 3.810) 13.460 16.595 ( -11.505 5.448 4.925) 13.649 16.983 ( -2.091 11.505 -6.070) 13.175 17.561 ( -0.942 -3.421 -0.025) 3.549 17.800 ( -6.784 -3.434 -12.489) 14.622 20.565 ( -2.869 2.876 2.557) 4.800 20.756 ( 1.201 -0.518 -5.746) 5.893 21.122 ( -12.993 -1.458 8.478) 15.583 21.387 ( -12.868 -3.099 -20.703) 24.573 23.653 ( -1.418 0.751 2.470) 2.946 23.686 ( -1.021 2.046 0.033) 2.287 23.753 ( -1.306 0.656 2.384) 2.797 23.889 ( 0.818 0.517 -1.557) 1.833 24.038 ( -2.538 -0.593 1.318) 2.920 24.043 ( -0.762 -0.146 -0.871) 1.167 24.316 ( -0.355 -4.411 1.258) 4.601 24.431 ( 2.740 -1.789 -2.706) 4.246 24.511 ( -0.100 -1.906 -0.725) 2.041 24.716 ( 7.478 -5.446 10.330) 13.867 24.983 ( -0.606 2.159 0.969) 2.442 25.217 ( 1.450 -4.743 -3.592) 6.124 25.506 ( -4.516 -0.942 -4.630) 6.536 25.610 ( 0.727 -2.082 1.808) 2.852 25.658 ( 1.258 -2.905 0.025) 3.166 25.683 ( 0.671 -4.342 2.873) 5.250 26.001 ( -2.526 2.335 3.872) 5.179 26.032 ( -1.497 5.108 0.034) 5.323 26.291 ( -1.800 -2.266 1.453) 3.238 26.512 ( 1.132 -2.287 -0.268) 2.566 26.913 ( -3.191 1.672 8.056) 8.825 27.380 ( 5.774 6.407 -7.755) 11.599 27.907 ( 6.906 -0.368 3.932) 7.955 28.131 ( 7.684 2.035 -0.922) 8.003 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -13.740 11.411 24.398) 30.237 1.703 ( -9.156 20.322 26.459) 34.596 2.371 ( -11.977 -2.758 -11.510) 16.838 2.629 ( -6.061 4.329 -14.593) 16.384 2.722 ( 2.736 13.346 37.100) 39.522 2.925 ( 3.975 -1.367 -2.177) 4.734 2.957 ( 0.251 -7.321 -1.945) 7.579 3.101 ( -6.963 -2.649 0.216) 7.453 3.158 ( 6.316 -1.121 -5.228) 8.276 3.275 ( 0.781 0.972 -0.234) 1.269 3.288 ( -8.368 0.799 3.892) 9.263 3.653 ( 3.882 -4.373 -1.297) 5.990 3.757 ( -3.443 5.376 0.112) 6.385 3.934 ( 0.437 -1.118 3.617) 3.811 4.089 ( 0.248 -3.996 -5.461) 6.771 4.292 ( 14.552 1.748 -0.510) 14.666 4.430 ( 13.292 -4.932 2.727) 14.438 4.493 ( -2.860 -4.216 -4.106) 6.544 4.707 ( 1.181 -5.321 -1.350) 5.616 4.751 ( 3.709 -1.539 4.624) 6.124 4.888 ( 11.474 3.033 0.229) 11.871 4.954 ( -0.013 2.112 -7.696) 7.980 5.172 ( 4.944 4.050 -1.183) 6.500 5.309 ( 1.772 0.194 -3.832) 4.226 5.439 ( -1.599 -0.670 0.956) 1.980 5.461 ( 0.226 5.175 4.939) 7.157 5.647 ( -1.539 2.531 6.190) 6.862 5.676 ( -2.625 6.810 0.793) 7.341 5.771 ( 3.511 -1.977 1.547) 4.316 5.787 ( 2.553 0.104 -4.130) 4.857 5.971 ( -7.706 -1.287 -2.222) 8.123 6.022 ( -12.174 -3.431 -1.934) 12.795 6.062 ( -3.831 5.936 -7.536) 10.330 6.137 ( 5.507 5.042 0.533) 7.485 6.347 ( -0.476 0.171 -1.802) 1.871 6.409 ( -3.754 0.647 -2.945) 4.815 6.496 ( 6.065 0.032 4.555) 7.585 6.710 ( 1.856 -4.659 -2.960) 5.823 6.737 ( 0.441 -3.237 -1.053) 3.433 6.864 ( -4.373 5.649 -5.026) 8.735 6.966 ( 3.214 -2.694 1.611) 4.492 7.053 ( 0.905 2.167 -1.519) 2.796 7.115 ( 1.384 0.181 0.551) 1.500 7.432 ( 0.378 1.334 3.902) 4.141 7.454 ( 0.162 -1.240 -7.322) 7.428 7.575 ( 2.202 -1.972 8.860) 9.340 7.699 ( -0.773 0.667 -2.079) 2.316 7.787 ( 7.326 -5.916 3.734) 10.130 7.977 ( -2.454 -6.751 -0.593) 7.208 8.174 ( -2.211 -4.228 0.011) 4.771 8.241 ( 2.416 2.230 -3.383) 4.718 8.364 ( -4.939 -0.272 9.461) 10.676 8.509 ( 5.439 -4.253 -1.815) 7.138 8.645 ( 2.273 3.703 -6.252) 7.614 8.736 ( 4.125 0.027 2.351) 4.748 8.809 ( 2.901 8.927 -3.107) 9.887 8.966 ( -10.015 3.586 -0.913) 10.677 9.134 ( 1.372 1.642 5.873) 6.251 9.362 ( -2.932 0.060 -0.744) 3.026 9.429 ( -0.079 -3.735 -0.317) 3.750 9.641 ( -3.603 -9.618 -1.439) 10.372 9.798 ( -6.895 -6.520 2.056) 9.709 10.086 ( -9.183 3.672 -4.019) 10.675 10.182 ( 1.087 -0.078 -0.077) 1.092 10.191 ( 3.002 5.205 6.942) 9.181 10.351 ( 7.659 -6.745 1.361) 10.296 10.399 ( 0.390 -0.878 2.701) 2.867 10.572 ( 6.286 -4.600 -8.198) 11.309 10.647 ( -3.737 -1.775 -1.990) 4.591 10.759 ( -3.714 -5.974 -3.187) 7.723 10.849 ( -2.154 -3.324 -0.790) 4.039 11.076 ( -5.762 -0.991 -5.397) 7.957 11.226 ( 6.850 6.649 4.500) 10.554 11.389 ( -2.276 4.381 2.304) 5.448 11.592 ( 5.506 -5.524 -1.049) 7.870 11.780 ( -6.137 -2.646 3.158) 7.392 12.095 ( 2.363 -4.852 0.232) 5.402 12.337 ( 0.119 -1.755 -0.901) 1.976 12.525 ( -4.772 -2.439 2.555) 5.937 12.734 ( -3.240 -10.625 -10.040) 14.973 12.864 ( 3.410 10.997 4.157) 12.241 13.124 ( 1.927 4.819 -4.409) 6.811 13.174 ( -3.268 -4.978 2.891) 6.620 13.361 ( -4.439 12.238 -7.591) 15.070 13.497 ( 2.151 -1.728 12.004) 12.317 13.626 ( 1.958 0.922 6.801) 7.137 14.106 ( 3.827 -6.287 3.132) 7.999 14.161 ( 0.568 0.001 -0.960) 1.115 14.223 ( 5.201 0.886 1.743) 5.557 14.447 ( 1.781 3.202 -3.153) 4.834 14.514 ( 4.375 1.984 -2.124) 5.253 14.734 ( 2.104 -0.414 -0.839) 2.302 15.095 ( -6.648 -1.035 3.595) 7.628 15.255 ( -0.810 -5.967 0.711) 6.064 15.427 ( -3.879 2.630 -5.518) 7.240 15.488 ( 0.363 -0.160 0.550) 0.678 15.673 ( -3.612 1.552 2.607) 4.717 15.739 ( 2.594 -1.200 3.890) 4.827 16.069 ( -4.156 2.099 1.341) 4.846 16.325 ( -7.332 -8.248 -4.323) 11.852 16.531 ( 6.802 13.996 8.783) 17.869 16.942 ( 2.280 14.527 -8.015) 16.747 17.519 ( -14.942 0.332 -5.749) 16.013 17.535 ( -2.228 -1.631 -3.834) 4.725 20.536 ( -1.418 3.344 1.670) 3.998 20.721 ( -2.695 0.286 -6.698) 7.226 20.943 ( -8.261 -1.074 3.742) 9.132 21.062 ( -11.218 1.713 -6.328) 12.993 23.645 ( -0.943 0.503 2.373) 2.603 23.671 ( -0.694 1.711 0.341) 1.878 23.749 ( -0.664 -0.057 2.585) 2.670 23.872 ( -0.794 -0.826 -3.097) 3.302 24.021 ( -0.867 0.206 2.934) 3.066 24.044 ( 1.172 1.277 -0.975) 1.989 24.317 ( -0.488 -4.310 2.136) 4.835 24.439 ( 0.718 -4.249 -5.319) 6.845 24.550 ( 3.498 1.645 4.596) 6.005 24.869 ( 3.941 -4.941 4.265) 7.625 24.980 ( -0.365 1.252 -0.348) 1.350 25.099 ( -8.216 -2.818 -8.942) 12.467 25.494 ( 3.353 -0.173 0.182) 3.362 25.612 ( -2.235 -2.608 1.601) 3.789 25.670 ( 1.020 -2.529 1.350) 3.043 25.734 ( 2.359 -4.058 -0.141) 4.696 25.963 ( -4.183 2.662 4.134) 6.455 26.004 ( -0.396 6.291 -2.211) 6.680 26.337 ( 4.178 -8.576 5.104) 10.819 26.514 ( -0.621 -3.071 -0.844) 3.244 26.945 ( 0.217 -3.243 12.303) 12.725 27.395 ( 1.840 -1.127 -10.578) 10.795 28.083 ( 8.109 5.588 3.833) 10.568 28.254 ( 6.549 2.850 -2.846) 7.688 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 2.277 13.604 18.307) 22.921 2.131 ( -3.792 3.752 -8.850) 10.333 2.171 ( 0.280 14.252 20.830) 25.241 2.622 ( 1.114 8.932 -15.108) 17.586 2.801 ( -5.344 -8.729 5.121) 11.444 2.900 ( 1.831 -4.749 -2.675) 5.750 2.948 ( -0.718 -1.448 2.864) 3.289 3.007 ( -7.280 -6.330 -2.748) 10.031 3.155 ( -1.138 0.602 -2.081) 2.447 3.250 ( 7.373 -3.319 -6.308) 10.256 3.475 ( 8.820 6.753 15.713) 19.243 3.611 ( 3.224 -4.493 -1.091) 5.636 3.824 ( -1.427 4.739 11.829) 12.823 3.926 ( -0.190 0.675 3.992) 4.053 3.989 ( -3.450 -0.113 0.126) 3.454 4.201 ( -6.322 -0.276 -9.143) 11.119 4.497 ( 1.924 0.219 2.358) 3.051 4.566 ( 1.753 -0.681 0.292) 1.903 4.635 ( -1.835 -2.042 2.031) 3.415 4.724 ( -4.901 1.393 -7.314) 8.914 4.917 ( -0.285 -1.759 5.401) 5.687 4.986 ( 1.280 -2.488 -1.107) 3.009 5.327 ( 3.828 1.612 1.315) 4.357 5.396 ( -6.716 1.179 -3.422) 7.630 5.460 ( 5.545 0.144 2.913) 6.265 5.534 ( -8.103 -1.361 -4.151) 9.206 5.652 ( 0.860 0.122 6.527) 6.584 5.726 ( 3.447 4.245 -0.782) 5.524 5.764 ( -2.057 0.902 -1.712) 2.824 5.784 ( 2.674 -0.495 -2.812) 3.912 5.921 ( 0.779 9.823 4.173) 10.701 6.055 ( 3.206 4.643 0.713) 5.687 6.145 ( -1.952 4.565 -6.508) 8.186 6.209 ( -2.828 -3.668 -4.602) 6.529 6.382 ( -0.410 5.010 0.746) 5.082 6.403 ( 4.834 2.402 -0.687) 5.441 6.628 ( 3.707 -0.176 3.352) 5.001 6.683 ( -0.038 -2.333 -1.925) 3.025 6.722 ( 1.404 1.140 2.781) 3.318 6.856 ( -0.283 3.201 -7.119) 7.811 6.971 ( 2.612 -5.117 6.458) 8.644 7.062 ( 0.423 -3.592 -1.937) 4.103 7.222 ( 0.649 5.482 2.549) 6.081 7.320 ( -2.918 0.251 -6.291) 6.939 7.485 ( 1.691 0.611 7.327) 7.544 7.629 ( -3.515 4.749 3.393) 6.814 7.702 ( 1.599 -5.374 3.701) 6.719 7.703 ( 0.443 -5.424 -1.155) 5.563 7.793 ( -2.172 -3.963 2.449) 5.140 8.105 ( -0.521 -6.328 -5.538) 8.425 8.212 ( 2.402 2.603 6.115) 7.067 8.340 ( -3.160 1.792 -1.511) 3.934 8.393 ( -0.595 -5.117 -0.635) 5.191 8.576 ( -0.370 -5.467 -6.552) 8.541 8.834 ( -4.698 4.673 3.905) 7.691 8.973 ( 6.318 0.925 -6.296) 8.967 9.055 ( 2.679 6.289 7.581) 10.208 9.153 ( -1.152 0.155 -0.028) 1.163 9.255 ( -4.080 -3.619 -3.716) 6.599 9.359 ( -1.041 -8.910 -9.035) 12.732 9.447 ( 0.502 -4.476 -0.281) 4.513 9.550 ( -1.181 -1.069 -3.986) 4.293 9.991 ( -4.964 3.057 1.498) 6.019 10.138 ( -0.027 0.119 -10.432) 10.432 10.252 ( -2.666 -2.039 5.667) 6.587 10.316 ( -2.093 -6.875 3.321) 7.917 10.374 ( 4.182 -5.428 -3.500) 7.695 10.447 ( -0.025 -7.353 -5.695) 9.301 10.607 ( 3.230 -1.688 1.969) 4.142 10.640 ( -0.159 -3.525 0.781) 3.614 10.877 ( 6.930 4.372 2.477) 8.559 10.964 ( -0.713 0.660 -6.447) 6.519 11.414 ( -2.898 3.812 2.258) 5.294 11.458 ( 3.179 3.702 -0.854) 4.954 11.584 ( -6.959 -2.762 2.127) 7.783 11.635 ( 6.900 -3.932 -2.381) 8.290 12.180 ( -4.109 0.758 10.452) 11.256 12.267 ( 2.427 -4.100 6.383) 7.965 12.454 ( 1.790 -0.816 -6.009) 6.322 12.503 ( -0.320 -3.165 -6.470) 7.210 13.085 ( -2.217 5.310 9.502) 11.108 13.210 ( 1.991 2.090 6.702) 7.297 13.302 ( 3.114 13.840 0.442) 14.193 13.446 ( -3.630 7.083 -6.030) 9.985 13.546 ( -1.231 -0.982 13.908) 13.997 13.752 ( 4.299 2.139 2.487) 5.408 14.000 ( -1.609 -8.830 4.442) 10.014 14.087 ( -0.522 -5.758 -1.761) 6.044 14.277 ( -0.359 -0.498 -2.486) 2.560 14.403 ( 0.289 -4.420 -9.994) 10.932 14.623 ( -1.012 1.597 -2.117) 2.838 14.642 ( -0.030 1.356 -3.871) 4.102 15.124 ( 2.061 1.583 3.835) 4.632 15.189 ( 1.061 -1.587 -0.614) 2.006 15.408 ( -6.037 0.350 -0.960) 6.123 15.459 ( 4.111 1.038 -5.554) 6.988 15.642 ( 0.848 -2.299 4.473) 5.100 15.731 ( 0.266 -3.162 -2.993) 4.362 16.062 ( -0.591 1.855 4.308) 4.728 16.137 ( -3.063 -1.427 -2.618) 4.275 16.961 ( 3.470 11.573 7.758) 14.358 17.148 ( 0.603 5.914 -8.203) 10.131 17.362 ( -6.285 3.174 4.314) 8.258 17.493 ( 2.912 -0.479 -6.394) 7.042 20.621 ( 1.108 3.639 0.400) 3.825 20.664 ( -0.948 2.017 -3.543) 4.185 20.913 ( -1.316 1.140 1.103) 2.061 20.950 ( 0.662 -0.941 -1.624) 1.990 23.665 ( -0.151 1.274 2.047) 2.416 23.700 ( -0.035 1.425 0.015) 1.426 23.744 ( 0.368 -0.825 0.722) 1.157 23.806 ( -0.129 -2.199 -3.559) 4.185 24.051 ( -1.412 2.688 3.828) 4.886 24.111 ( 2.141 2.409 -1.847) 3.714 24.232 ( -0.095 -4.748 2.973) 5.603 24.289 ( -0.531 -6.396 -1.685) 6.636 24.720 ( 4.179 3.242 7.722) 9.360 24.838 ( -1.438 -1.169 -0.143) 1.858 24.926 ( -2.513 0.293 0.049) 2.530 24.984 ( -0.751 -1.545 -3.609) 3.997 25.538 ( -0.666 0.224 0.894) 1.137 25.561 ( 1.928 0.231 -1.098) 2.231 25.643 ( 0.153 -3.267 1.174) 3.475 25.665 ( 0.848 -3.974 -0.572) 4.103 26.001 ( -2.029 3.685 6.720) 7.928 26.111 ( 0.423 3.146 0.964) 3.317 26.259 ( 2.324 -5.244 2.904) 6.429 26.388 ( -1.367 -4.964 -5.252) 7.355 26.992 ( 0.768 1.049 7.135) 7.253 27.189 ( -0.924 -7.555 -9.791) 12.401 28.296 ( -0.032 3.888 1.231) 4.078 28.345 ( 0.258 1.165 -2.857) 3.096 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 11.263 7.462 10.494) 17.107 2.144 ( 8.860 5.719 -2.205) 10.774 2.335 ( 5.402 9.966 16.141) 19.724 2.604 ( 6.888 14.475 -13.896) 21.215 2.706 ( -4.651 -5.267 5.699) 9.047 2.796 ( -9.500 -3.870 -0.117) 10.259 2.904 ( -7.841 -5.243 1.614) 9.570 3.068 ( 10.618 -5.624 0.566) 12.028 3.181 ( 5.167 1.322 -2.205) 5.771 3.328 ( 4.543 -5.826 -4.123) 8.461 3.573 ( -1.729 -1.622 -3.019) 3.839 3.605 ( 0.874 -1.740 -6.281) 6.576 3.884 ( -5.437 -2.345 1.786) 6.184 3.922 ( 0.083 -2.022 1.790) 2.701 4.074 ( 8.858 8.941 21.928) 25.283 4.106 ( 0.341 4.875 -5.248) 7.171 4.376 ( -10.800 3.362 -2.713) 11.632 4.491 ( -9.951 -1.101 -2.064) 10.222 4.606 ( -5.397 -2.495 0.829) 6.003 4.633 ( -2.830 -1.486 5.299) 6.189 4.884 ( -5.851 0.836 1.868) 6.199 4.922 ( -6.184 -0.877 -0.699) 6.285 5.194 ( -12.387 0.441 0.631) 12.411 5.250 ( -8.690 -1.553 2.592) 9.201 5.467 ( -1.844 7.819 -3.549) 8.782 5.593 ( 10.378 -1.105 4.995) 11.571 5.677 ( -3.087 -3.169 3.761) 5.807 5.745 ( -1.376 -1.903 -3.288) 4.040 5.784 ( 2.651 2.073 0.784) 3.455 5.864 ( 3.087 9.613 -3.733) 10.765 5.944 ( -3.170 4.913 -2.154) 6.231 6.066 ( 6.087 4.312 -1.134) 7.545 6.169 ( 5.038 -0.557 -3.200) 5.994 6.248 ( 8.942 -4.212 2.441) 10.182 6.351 ( -1.913 3.912 -2.628) 5.086 6.436 ( -0.553 1.594 -3.039) 3.476 6.595 ( -4.506 -0.921 -3.318) 5.671 6.622 ( -5.060 -2.938 -1.324) 5.999 6.755 ( -0.955 2.771 -3.014) 4.204 6.849 ( 4.821 3.120 -0.062) 5.743 7.014 ( -3.344 -5.196 -5.346) 8.171 7.041 ( 1.302 -1.714 1.850) 2.838 7.194 ( -2.832 4.869 0.493) 5.654 7.299 ( 1.422 3.716 0.612) 4.025 7.510 ( -1.556 2.417 -0.958) 3.030 7.614 ( -1.065 -4.302 5.071) 6.735 7.688 ( -1.301 -3.030 2.181) 3.954 7.697 ( 1.372 -2.933 -5.046) 5.995 7.893 ( 3.934 -1.103 18.555) 19.000 8.069 ( 2.698 2.078 -10.532) 11.069 8.215 ( -3.462 1.970 -6.482) 7.608 8.311 ( -0.645 -2.050 6.818) 7.148 8.451 ( 2.502 -2.053 8.887) 9.458 8.542 ( 0.624 -5.079 -10.371) 11.565 8.818 ( 0.480 2.404 3.145) 3.988 8.986 ( -2.242 -1.070 -3.211) 4.060 9.094 ( -2.398 4.907 -3.157) 6.309 9.169 ( -0.694 -2.766 6.586) 7.177 9.261 ( 5.051 -2.174 -3.543) 6.541 9.315 ( 6.712 -4.312 -1.207) 8.068 9.459 ( 0.273 -6.384 1.897) 6.665 9.556 ( 2.341 -9.153 -1.206) 9.524 9.954 ( -2.616 0.208 7.301) 7.758 10.164 ( -1.800 1.040 -3.555) 4.118 10.206 ( 2.425 -3.287 3.624) 5.460 10.283 ( -0.246 -2.928 1.506) 3.301 10.392 ( 1.931 -3.757 -0.121) 4.226 10.507 ( 5.311 -7.864 -2.412) 9.791 10.595 ( -0.679 1.846 -5.737) 6.064 10.705 ( 3.347 -2.419 2.941) 5.070 10.841 ( -4.571 3.233 -9.966) 11.431 11.020 ( 5.165 -4.690 -3.442) 7.780 11.378 ( 0.131 4.791 2.781) 5.541 11.479 ( -4.686 -1.183 1.669) 5.113 11.570 ( 7.012 4.415 -3.003) 8.814 11.754 ( 6.001 -3.992 -1.012) 7.278 12.087 ( -8.700 3.878 6.778) 11.690 12.307 ( -2.672 -5.440 1.266) 6.192 12.421 ( -1.360 -0.370 0.353) 1.453 12.531 ( 6.041 -4.820 -5.607) 9.548 13.112 ( -0.903 9.240 9.790) 13.492 13.191 ( -4.743 2.156 -0.327) 5.220 13.307 ( -2.891 11.791 -7.247) 14.138 13.427 ( 3.257 5.100 2.885) 6.703 13.614 ( 1.586 7.628 9.843) 12.553 13.809 ( 2.956 0.465 -7.779) 8.335 13.926 ( -6.729 -7.877 2.263) 10.604 14.112 ( -0.560 -2.099 1.243) 2.502 14.217 ( -4.488 -2.843 3.702) 6.476 14.339 ( -0.438 -10.172 -6.666) 12.169 14.564 ( -0.905 3.019 -1.712) 3.586 14.685 ( 2.924 -1.223 0.271) 3.181 15.140 ( 1.371 -0.679 -0.581) 1.637 15.204 ( -1.823 -2.875 -2.558) 4.259 15.374 ( 4.990 4.406 1.689) 6.868 15.554 ( 2.150 4.488 -0.259) 4.983 15.660 ( 1.502 -6.376 -1.861) 6.810 15.774 ( 4.312 -3.773 -0.633) 5.765 16.087 ( -0.888 -1.026 5.742) 5.900 16.096 ( 1.030 -0.804 0.455) 1.384 17.028 ( -0.233 10.065 5.009) 11.245 17.072 ( -0.273 14.304 -9.599) 17.228 17.359 ( 0.923 -1.572 6.593) 6.840 17.541 ( 5.223 -2.649 -4.761) 7.547 20.644 ( 1.948 3.108 -0.668) 3.728 20.694 ( 4.571 1.608 -2.490) 5.448 20.910 ( 1.963 2.631 2.767) 4.293 21.040 ( 7.893 -3.378 -0.783) 8.621 23.681 ( 0.676 1.362 1.705) 2.284 23.706 ( 0.903 1.149 -0.486) 1.540 23.766 ( 1.244 -1.319 1.777) 2.539 23.795 ( 0.935 -2.061 -3.131) 3.863 24.040 ( -1.630 3.163 1.951) 4.058 24.138 ( 2.057 1.639 -2.368) 3.539 24.247 ( -0.715 -5.383 2.653) 6.044 24.272 ( 0.151 -4.282 -0.963) 4.392 24.718 ( -5.509 3.995 -3.453) 7.631 24.822 ( -0.581 -0.852 2.094) 2.334 24.930 ( 1.818 0.093 3.666) 4.093 24.983 ( 1.226 -1.349 0.158) 1.830 25.514 ( -1.587 0.985 -0.155) 1.874 25.586 ( 0.655 -1.306 -1.096) 1.827 25.638 ( -0.560 -3.877 -0.523) 3.952 25.668 ( 0.379 -2.619 -1.552) 3.067 26.021 ( -0.210 4.824 6.346) 7.975 26.129 ( 1.780 3.399 -1.067) 3.982 26.311 ( 0.116 -5.361 -1.387) 5.539 26.358 ( 2.247 -6.126 -0.629) 6.556 27.065 ( 2.249 -1.193 6.122) 6.630 27.142 ( 2.072 -4.425 -7.183) 8.687 28.219 ( -8.391 3.633 -0.191) 9.146 28.273 ( -6.609 1.406 -0.520) 6.777 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 15.176 6.781 -9.705) 19.248 2.342 ( 9.281 3.842 7.541) 12.560 2.533 ( 5.690 5.920 13.640) 15.921 2.651 ( -3.507 -3.408 7.617) 9.052 2.704 ( 0.357 -0.524 1.027) 1.207 2.755 ( -2.074 -4.430 -6.391) 8.049 2.764 ( 8.135 12.857 3.314) 15.571 3.217 ( 1.959 4.565 -2.511) 5.566 3.274 ( 5.355 -4.865 1.234) 7.339 3.375 ( 2.516 -4.876 -2.277) 5.940 3.489 ( -0.574 -0.244 -6.103) 6.135 3.609 ( 2.910 -3.856 -7.035) 8.534 3.784 ( -4.898 1.819 0.570) 5.256 3.959 ( -0.714 3.008 3.287) 4.513 4.087 ( -0.802 -3.446 -3.095) 4.701 4.131 ( -13.449 1.353 0.567) 13.528 4.207 ( -3.158 7.749 -3.203) 8.960 4.387 ( 1.123 0.881 5.384) 5.570 4.501 ( -4.859 -5.546 -0.986) 7.439 4.591 ( -6.306 -2.382 12.845) 14.507 4.749 ( -8.477 3.497 -0.790) 9.204 4.818 ( -4.216 -3.330 1.009) 5.466 5.021 ( -7.932 0.265 7.068) 10.627 5.141 ( -7.081 -4.738 6.546) 10.745 5.449 ( -0.258 16.184 -4.496) 16.799 5.593 ( -5.169 -3.999 1.123) 6.631 5.679 ( -3.236 -4.120 -0.048) 5.239 5.741 ( -3.430 0.034 -2.328) 4.145 5.767 ( -1.715 1.665 1.386) 2.763 5.863 ( 0.830 7.445 -2.075) 7.773 5.890 ( 2.310 4.780 -3.289) 6.245 6.156 ( -0.043 -2.022 -2.422) 3.155 6.227 ( -3.890 -1.834 -3.028) 5.260 6.240 ( -0.505 -2.839 -2.839) 4.047 6.404 ( 5.437 6.144 -0.738) 8.237 6.458 ( 1.053 0.674 -6.680) 6.796 6.532 ( -3.338 -3.608 -0.391) 4.931 6.559 ( 6.222 -7.846 1.496) 10.125 6.726 ( 3.530 4.359 -3.161) 6.438 6.897 ( -3.607 -1.426 -4.738) 6.123 6.977 ( 6.137 1.076 0.088) 6.232 7.087 ( 2.684 -0.712 0.635) 2.849 7.170 ( 2.267 5.013 0.049) 5.501 7.335 ( 0.623 0.750 3.534) 3.666 7.495 ( 0.417 2.657 0.843) 2.819 7.535 ( -4.462 -2.273 -3.819) 6.298 7.680 ( 0.160 -4.264 -1.747) 4.611 7.755 ( 1.816 -0.625 -1.368) 2.358 8.037 ( -0.056 2.601 9.832) 10.171 8.088 ( 1.798 1.276 -11.166) 11.382 8.152 ( 2.725 5.203 7.098) 9.213 8.286 ( -4.124 -3.460 1.818) 5.682 8.472 ( -0.830 -3.319 -1.657) 3.801 8.578 ( 3.033 -2.365 4.143) 5.653 8.761 ( -5.918 9.413 -3.051) 11.530 8.946 ( -1.032 2.879 -0.223) 3.066 9.090 ( 3.519 -0.288 -0.100) 3.532 9.153 ( -2.371 -8.164 3.644) 9.249 9.290 ( 1.767 -1.525 -2.489) 3.412 9.421 ( -3.016 -8.752 -3.417) 9.868 9.554 ( 12.027 0.804 6.525) 13.707 9.677 ( 6.775 -10.192 8.260) 14.765 9.908 ( -8.097 -1.425 3.965) 9.128 10.081 ( -0.722 -4.927 5.337) 7.299 10.241 ( -3.326 -1.232 2.021) 4.082 10.408 ( -0.188 1.115 7.490) 7.575 10.431 ( 8.327 0.465 -6.416) 10.522 10.525 ( 3.148 1.539 -5.342) 6.389 10.634 ( 5.641 -1.757 -4.776) 7.598 10.728 ( 0.258 3.356 -0.498) 3.402 10.782 ( 2.809 -6.111 2.273) 7.099 11.052 ( 2.791 -8.451 -4.879) 10.150 11.407 ( -1.062 -0.569 1.539) 1.954 11.449 ( 1.114 1.989 -1.589) 2.779 11.632 ( 2.755 6.830 -7.943) 10.832 11.767 ( -5.416 2.613 2.541) 6.528 12.034 ( 1.441 1.100 -0.918) 2.032 12.256 ( -0.688 -2.995 1.539) 3.437 12.411 ( -2.759 -2.727 6.150) 7.272 12.627 ( 7.226 -8.993 -4.009) 12.213 13.075 ( -6.064 2.320 -0.449) 6.508 13.115 ( -5.031 7.853 -5.425) 10.789 13.200 ( -3.256 8.329 -3.069) 9.455 13.458 ( -0.583 -1.597 -2.237) 2.810 13.700 ( 0.677 6.787 2.412) 7.235 13.777 ( 0.760 -0.117 -10.921) 10.948 13.854 ( -1.367 -0.445 6.877) 7.026 14.095 ( -5.061 -2.464 0.203) 5.633 14.116 ( -1.776 -0.146 3.889) 4.278 14.391 ( 3.763 -5.675 5.889) 9.003 14.566 ( 2.264 3.483 -2.283) 4.740 14.747 ( 3.103 -0.879 1.611) 3.605 15.164 ( 0.763 -1.664 -3.226) 3.709 15.191 ( 3.083 -3.718 -0.301) 4.839 15.460 ( 0.935 1.037 2.595) 2.947 15.525 ( -2.611 4.110 -0.614) 4.908 15.661 ( -2.012 -2.376 -0.936) 3.251 15.832 ( 3.493 -1.943 -0.574) 4.038 16.102 ( -1.507 -1.596 5.338) 5.772 16.146 ( 1.817 -1.739 1.527) 2.943 17.026 ( 4.349 11.913 -7.939) 14.962 17.099 ( 2.118 15.226 4.536) 16.028 17.434 ( 3.509 -5.901 4.534) 8.227 17.603 ( 3.857 -5.583 -3.249) 7.524 20.681 ( 2.209 2.516 -1.058) 3.511 20.742 ( 3.052 0.706 -5.269) 6.130 21.033 ( 7.216 2.323 8.452) 11.353 21.206 ( 10.468 -5.376 -0.654) 11.786 23.704 ( 0.770 1.491 1.307) 2.127 23.725 ( 1.392 0.759 -0.650) 1.714 23.794 ( 1.102 -0.965 -1.755) 2.286 23.814 ( 1.789 -2.062 3.150) 4.168 24.016 ( -1.494 3.658 -0.309) 3.963 24.153 ( 0.840 0.075 -2.699) 2.828 24.226 ( -1.967 -3.696 1.212) 4.359 24.294 ( 1.756 -3.487 -0.211) 3.910 24.606 ( -3.918 3.964 -4.097) 6.917 24.763 ( -3.855 -3.722 -4.437) 6.957 24.989 ( 0.653 0.419 2.886) 2.988 25.025 ( 1.470 -1.167 6.131) 6.411 25.492 ( -0.429 1.375 -0.099) 1.444 25.566 ( -1.827 -2.615 0.006) 3.190 25.632 ( 0.340 -2.029 -1.487) 2.539 25.664 ( 0.923 -3.677 -3.563) 5.203 26.052 ( 0.012 4.942 4.433) 6.639 26.155 ( 1.116 1.389 -0.807) 1.956 26.302 ( 2.008 -1.210 -3.259) 4.015 26.409 ( 1.850 -5.474 1.185) 5.898 27.109 ( 3.631 1.395 -4.219) 5.739 27.214 ( 4.985 -2.598 4.291) 7.072 28.022 ( -11.728 3.566 -1.862) 12.398 28.119 ( -10.279 -0.001 1.533) 10.393 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 7.171 8.172 -5.028) 11.979 2.489 ( 2.415 2.101 3.119) 4.469 2.559 ( -5.491 -1.711 12.618) 13.867 2.703 ( 6.593 2.546 -2.407) 7.466 2.793 ( -0.971 -2.150 8.299) 8.628 2.816 ( 13.072 6.906 1.591) 14.870 2.971 ( 11.576 4.965 0.307) 12.600 3.169 ( -0.962 8.276 -7.507) 11.215 3.261 ( -8.581 -7.172 5.026) 12.261 3.360 ( -2.428 3.017 -1.178) 4.047 3.539 ( 0.157 -4.577 -9.660) 10.691 3.572 ( 5.630 -1.400 0.216) 5.805 3.688 ( -11.959 2.890 -4.367) 13.055 3.905 ( -7.028 3.314 -0.573) 7.791 3.930 ( 4.143 3.046 3.256) 6.086 4.133 ( -0.279 0.210 1.209) 1.258 4.209 ( 4.685 4.801 -3.690) 7.656 4.316 ( -4.684 2.021 -5.110) 7.221 4.460 ( -2.506 -4.884 -2.102) 5.878 4.584 ( -3.805 -0.793 9.906) 10.641 4.666 ( 1.148 0.528 9.519) 9.603 4.826 ( 2.498 -7.643 6.891) 10.590 4.982 ( -2.072 -2.554 8.741) 9.339 5.073 ( -4.253 -6.512 9.034) 11.921 5.305 ( -10.296 9.016 -5.666) 14.812 5.532 ( -4.794 2.803 -0.361) 5.565 5.565 ( -7.540 -0.722 -3.932) 8.535 5.624 ( -5.143 0.119 -5.349) 7.422 5.704 ( -0.916 -4.680 -7.668) 9.030 5.856 ( -2.496 2.875 -7.924) 8.791 5.957 ( 4.066 1.114 1.969) 4.653 6.062 ( -4.636 -9.024 -2.618) 10.477 6.132 ( -3.553 -5.707 1.930) 6.994 6.210 ( -0.557 -1.405 -2.174) 2.648 6.367 ( -3.161 2.493 -4.114) 5.756 6.452 ( -2.997 -1.311 -3.525) 4.809 6.575 ( 7.589 3.284 2.685) 8.694 6.738 ( 9.572 -2.875 0.846) 10.030 6.830 ( 5.215 3.781 1.647) 6.649 6.849 ( -0.748 -1.485 -2.674) 3.149 7.001 ( 2.779 2.359 -2.760) 4.572 7.144 ( 3.190 0.791 1.026) 3.443 7.333 ( 3.019 1.501 -1.862) 3.851 7.372 ( 7.739 9.152 6.988) 13.874 7.451 ( -2.446 -1.020 -3.406) 4.316 7.540 ( 3.669 1.915 5.340) 6.756 7.655 ( -0.468 -6.121 -5.171) 8.026 7.726 ( -1.196 4.512 -7.812) 9.100 7.933 ( -9.435 2.517 0.908) 9.807 8.093 ( -1.815 -2.705 1.779) 3.712 8.225 ( 0.024 -0.888 -3.481) 3.593 8.290 ( 2.332 9.084 7.907) 12.267 8.475 ( -0.690 -3.853 -1.729) 4.279 8.509 ( -4.045 -3.139 -6.276) 8.099 8.773 ( 4.333 10.572 6.356) 13.075 8.934 ( -0.234 4.718 0.667) 4.770 9.123 ( -0.789 -4.501 4.013) 6.081 9.166 ( 1.413 -2.452 -2.228) 3.601 9.304 ( 1.441 -6.185 1.225) 6.468 9.388 ( 0.919 -11.367 -0.435) 11.413 9.695 ( -4.822 -1.317 4.489) 6.718 9.750 ( -2.021 -2.590 3.971) 5.154 9.869 ( 6.816 6.643 3.876) 10.276 10.175 ( 1.802 -3.746 2.040) 4.631 10.181 ( -1.239 -5.648 10.535) 12.017 10.333 ( -4.966 -3.372 -6.657) 8.964 10.503 ( 1.217 7.836 0.292) 7.935 10.610 ( 5.816 2.254 -3.903) 7.358 10.675 ( 4.509 2.067 -3.999) 6.372 10.846 ( 7.067 -1.074 4.773) 8.595 10.899 ( 5.902 -6.799 12.542) 15.439 11.109 ( 5.681 -6.411 -2.674) 8.973 11.389 ( -1.037 -1.662 -2.533) 3.202 11.404 ( -3.538 -0.948 -4.539) 5.832 11.566 ( -3.684 6.376 -11.524) 13.676 11.657 ( -7.188 5.251 0.733) 8.932 12.090 ( 5.639 -2.678 -1.010) 6.324 12.319 ( -0.601 -8.339 11.728) 14.403 12.401 ( 2.206 2.449 2.084) 3.900 12.733 ( 5.540 -10.410 -1.781) 11.927 12.927 ( -7.944 8.997 -8.669) 14.806 12.971 ( -4.662 1.326 -2.632) 5.515 13.084 ( -6.695 -2.968 -8.901) 11.526 13.386 ( -4.770 -5.358 -9.701) 12.065 13.665 ( -1.233 0.320 1.091) 1.677 13.776 ( 2.805 -1.125 -4.189) 5.165 13.897 ( 1.577 1.563 1.043) 2.453 13.960 ( -6.234 -3.164 1.536) 7.157 14.268 ( 8.139 10.426 13.685) 19.032 14.467 ( 0.297 4.011 7.829) 8.801 14.609 ( 3.479 3.571 -3.369) 6.017 14.800 ( 2.333 3.751 -2.601) 5.126 15.179 ( 2.136 -4.177 -1.086) 4.815 15.233 ( 0.699 -5.806 0.125) 5.849 15.418 ( -2.565 0.528 -2.224) 3.436 15.493 ( -3.982 -2.367 1.178) 4.780 15.631 ( 0.801 4.221 3.510) 5.548 15.889 ( 1.655 -4.821 -0.182) 5.100 16.086 ( -1.029 2.321 0.628) 2.615 16.147 ( -2.510 0.408 1.666) 3.040 17.104 ( 4.826 10.814 -0.804) 11.869 17.150 ( 2.131 15.014 1.009) 15.198 17.518 ( 0.881 -7.832 6.726) 10.361 17.649 ( 5.372 -7.570 -7.072) 11.669 20.700 ( 0.213 2.234 -0.266) 2.259 20.756 ( 2.448 0.280 -6.592) 7.037 21.211 ( 4.769 0.908 11.636) 12.608 21.389 ( 10.052 -7.175 -2.499) 12.600 23.720 ( 0.170 1.488 0.867) 1.730 23.740 ( 0.338 0.573 -0.232) 0.705 23.807 ( 1.305 0.524 -0.167) 1.416 23.878 ( 2.372 -2.266 5.479) 6.386 23.981 ( -1.483 3.784 -2.603) 4.826 24.130 ( -1.961 -2.550 -0.505) 3.256 24.203 ( -0.788 -0.802 -0.837) 1.402 24.316 ( 1.054 -3.743 -2.229) 4.482 24.539 ( -1.755 2.470 -1.583) 3.419 24.657 ( -3.636 -4.084 -7.212) 9.050 25.011 ( 0.564 0.729 2.618) 2.776 25.059 ( -1.329 -1.782 4.747) 5.242 25.501 ( 0.824 0.325 1.273) 1.551 25.548 ( -0.061 -1.975 1.039) 2.233 25.623 ( -0.290 -0.831 -1.774) 1.980 25.661 ( 1.027 -4.287 -4.236) 6.114 26.071 ( -0.413 4.105 3.459) 5.384 26.153 ( -0.403 0.218 -1.275) 1.355 26.345 ( 3.242 0.379 -0.578) 3.315 26.430 ( 0.289 -3.284 -0.576) 3.347 27.183 ( 7.053 5.401 -3.629) 9.596 27.311 ( 1.759 1.991 3.514) 4.405 27.825 ( -6.981 0.404 -1.926) 7.253 27.938 ( -10.289 -2.492 1.927) 10.760 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -12.012 4.796 9.146) 15.841 2.540 ( 0.090 2.806 7.201) 7.729 2.612 ( 2.191 3.349 3.058) 5.037 2.748 ( -4.585 -1.561 4.062) 6.321 2.832 ( 0.450 9.584 7.858) 12.401 2.961 ( -8.957 5.510 -6.333) 12.276 3.043 ( 10.730 6.412 -4.284) 13.214 3.148 ( -0.115 -0.472 -6.796) 6.813 3.257 ( 9.569 -3.133 1.700) 10.211 3.364 ( 6.986 5.239 -4.327) 9.745 3.425 ( -8.501 0.850 -0.337) 8.550 3.537 ( 3.005 -2.099 -7.905) 8.713 3.702 ( 2.814 1.456 3.055) 4.402 3.756 ( -5.834 -1.660 -1.148) 6.173 4.003 ( -3.683 1.047 4.347) 5.793 4.095 ( -0.385 6.433 -1.509) 6.618 4.255 ( 0.120 1.438 -2.566) 2.944 4.271 ( 2.427 3.181 -3.119) 5.073 4.437 ( -0.232 -2.511 4.181) 4.882 4.524 ( -5.333 0.469 -0.453) 5.373 4.847 ( 8.106 -3.332 15.726) 18.003 4.929 ( 0.291 -4.528 7.378) 8.662 5.025 ( 1.685 -1.485 9.048) 9.323 5.104 ( -3.904 -0.276 2.559) 4.676 5.158 ( 5.627 0.791 5.554) 7.946 5.362 ( -7.604 -3.964 -3.781) 9.371 5.423 ( -2.940 -1.122 -11.818) 12.230 5.550 ( -3.653 -6.723 -15.682) 17.449 5.621 ( 1.680 -0.940 3.627) 4.106 5.776 ( -2.409 -3.623 -5.686) 7.160 6.009 ( -0.304 -4.248 -0.877) 4.349 6.024 ( 3.877 -4.378 -4.145) 7.168 6.102 ( -1.505 -3.380 6.260) 7.271 6.203 ( 0.806 -2.871 -2.450) 3.859 6.344 ( 1.056 0.242 0.473) 1.182 6.389 ( -1.259 -0.376 -4.197) 4.397 6.672 ( 2.532 1.347 2.988) 4.141 6.759 ( -4.285 -3.268 -3.055) 6.195 6.846 ( -2.718 1.566 1.982) 3.710 6.909 ( 5.356 -2.821 -3.741) 7.116 7.144 ( 5.395 5.487 1.101) 7.774 7.181 ( -0.021 5.459 0.123) 5.460 7.323 ( 0.695 2.877 1.938) 3.537 7.379 ( -3.310 -0.441 -0.985) 3.481 7.506 ( 0.904 13.057 4.467) 13.830 7.579 ( -2.821 2.091 -4.193) 5.469 7.635 ( 3.433 -1.410 -1.676) 4.072 7.717 ( -1.322 4.605 -4.560) 6.614 7.875 ( 7.776 0.890 4.568) 9.062 7.977 ( -11.361 0.477 -3.872) 12.012 8.191 ( -2.030 -6.433 6.849) 9.614 8.327 ( -2.864 6.223 4.096) 7.981 8.409 ( 0.465 4.769 -1.605) 5.054 8.521 ( 5.273 -9.248 -12.759) 16.617 8.875 ( 3.297 9.921 3.683) 11.084 8.941 ( 1.159 4.140 -1.975) 4.731 9.140 ( -0.143 -5.078 4.684) 6.910 9.173 ( -0.894 0.243 2.780) 2.930 9.343 ( 1.597 -10.007 0.274) 10.138 9.410 ( 1.902 -9.357 -3.253) 10.088 9.658 ( -0.740 2.641 5.253) 5.926 9.708 ( -0.391 0.786 0.075) 0.881 9.998 ( 2.051 3.189 4.406) 5.813 10.174 ( -4.008 -3.302 -4.710) 7.011 10.208 ( -0.893 2.185 4.537) 5.114 10.269 ( 1.974 -1.780 4.307) 5.061 10.510 ( -0.065 7.080 -0.985) 7.149 10.641 ( 2.324 0.500 -5.709) 6.184 10.782 ( 5.192 1.422 5.416) 7.636 10.964 ( 1.366 1.081 -1.452) 2.268 11.083 ( 3.783 -3.913 9.785) 11.196 11.156 ( 0.482 -3.212 -5.816) 6.661 11.322 ( 1.333 0.831 2.065) 2.594 11.363 ( -1.999 -2.982 -0.586) 3.638 11.428 ( -4.167 -1.145 -5.853) 7.275 11.518 ( -5.137 1.015 -7.578) 9.211 12.211 ( 5.521 -6.486 5.668) 10.231 12.283 ( -6.532 -7.845 5.178) 11.446 12.552 ( 6.822 2.217 5.800) 9.225 12.703 ( -4.547 3.558 -6.567) 8.745 12.806 ( -3.039 -3.873 -5.539) 7.411 12.930 ( 1.783 -4.236 5.196) 6.937 12.942 ( -2.278 -3.738 -4.608) 6.356 13.185 ( -7.752 -10.671 -14.868) 19.875 13.685 ( -0.647 3.403 5.819) 6.771 13.796 ( 1.947 -1.152 -4.144) 4.721 13.890 ( -2.797 -0.575 2.145) 3.572 13.942 ( 3.966 -1.433 -2.258) 4.783 14.477 ( 5.056 7.499 9.987) 13.473 14.505 ( -0.964 9.189 9.589) 13.316 14.636 ( 2.094 7.473 -3.936) 8.702 14.776 ( -1.765 9.038 -7.533) 11.898 15.204 ( -1.633 -6.310 0.957) 6.588 15.215 ( -0.138 -5.699 -0.415) 5.716 15.386 ( -3.312 -1.132 1.281) 3.727 15.440 ( 3.380 -2.143 -3.120) 5.075 15.728 ( 5.117 2.066 6.734) 8.707 15.848 ( -3.964 -1.433 -3.479) 5.465 16.068 ( -4.737 3.229 3.559) 6.748 16.145 ( 5.327 -0.046 -3.271) 6.252 17.082 ( -7.812 11.373 7.826) 15.862 17.241 ( 6.643 12.771 -6.035) 15.609 17.509 ( -5.645 -7.782 8.605) 12.902 17.729 ( 7.806 -8.300 -10.487) 15.486 20.689 ( -1.379 2.539 0.674) 2.967 20.758 ( 1.589 -0.419 -5.712) 5.944 21.305 ( -1.813 0.481 10.675) 10.839 21.510 ( 5.418 -8.725 -6.748) 12.289 23.716 ( -1.330 1.544 1.424) 2.486 23.740 ( -0.258 0.671 0.432) 0.839 23.837 ( 1.115 2.423 1.566) 3.093 23.913 ( -1.021 3.396 -3.816) 5.210 23.980 ( 1.986 -2.810 7.291) 8.062 24.091 ( -1.948 -3.698 -0.785) 4.252 24.183 ( -1.263 -1.203 1.083) 2.053 24.297 ( -0.610 -4.876 -5.014) 7.021 24.513 ( -1.119 1.549 0.744) 2.050 24.575 ( -0.874 -2.225 -5.542) 6.036 25.038 ( -0.801 0.197 2.970) 3.082 25.059 ( 1.423 -0.542 1.233) 1.960 25.525 ( 0.538 -1.079 2.369) 2.658 25.566 ( 0.607 -2.369 0.685) 2.539 25.609 ( 0.064 -0.663 -1.622) 1.753 25.643 ( -0.768 -3.215 -3.830) 5.060 26.077 ( -1.250 3.159 3.855) 5.138 26.134 ( -0.824 0.572 -0.836) 1.305 26.391 ( 1.054 -0.485 0.382) 1.222 26.420 ( 0.145 -1.388 -2.081) 2.506 27.257 ( -6.047 9.090 2.154) 11.128 27.326 ( 7.785 6.608 -4.272) 11.069 27.786 ( -5.938 -3.994 2.001) 7.431 27.810 ( 4.619 -4.546 -0.279) 6.487 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -17.330 11.723 11.956) 24.098 2.518 ( -9.344 1.892 12.913) 16.051 2.570 ( -15.515 10.843 10.488) 21.640 2.699 ( 3.725 -0.280 -2.033) 4.253 2.793 ( -0.700 6.055 -0.326) 6.104 2.906 ( 2.761 1.410 -4.469) 5.439 3.070 ( -3.752 -1.166 -2.955) 4.916 3.112 ( -1.594 -1.704 -4.776) 5.315 3.361 ( 1.152 0.189 -0.556) 1.293 3.411 ( 4.796 -1.495 -2.085) 5.439 3.503 ( 5.655 2.005 -13.063) 14.375 3.548 ( -8.193 5.228 2.940) 10.154 3.628 ( 8.811 -3.097 -0.986) 9.392 3.833 ( 2.911 1.178 4.901) 5.821 3.947 ( 0.441 8.112 0.471) 8.138 4.079 ( -2.385 0.741 4.869) 5.472 4.228 ( -4.502 2.994 -2.468) 5.944 4.291 ( 3.731 2.400 -1.017) 4.551 4.419 ( 2.856 -3.476 1.754) 4.829 4.526 ( 1.320 -3.628 6.545) 7.599 4.859 ( -4.465 2.496 -3.545) 6.224 4.996 ( -2.238 4.204 0.650) 4.807 5.094 ( 3.591 -4.221 -1.194) 5.669 5.183 ( 7.277 -1.509 7.999) 10.918 5.283 ( 2.267 -5.886 -1.353) 6.451 5.337 ( 5.185 -4.368 0.406) 6.792 5.432 ( 8.824 -3.152 9.129) 13.082 5.534 ( 9.124 -4.952 -4.636) 11.370 5.677 ( -0.000 -0.970 0.827) 1.274 5.725 ( 2.109 -3.928 -0.920) 4.552 5.973 ( 0.681 -2.306 -3.092) 3.917 6.121 ( 4.579 -6.817 -2.439) 8.567 6.129 ( 0.501 2.280 2.838) 3.675 6.207 ( 1.457 -3.564 -2.040) 4.357 6.330 ( -0.491 2.192 -0.786) 2.380 6.421 ( 4.731 -3.276 -0.130) 5.756 6.658 ( -4.355 -1.806 -3.224) 5.712 6.706 ( -9.556 4.607 1.358) 10.695 6.757 ( -0.932 -1.700 3.965) 4.413 6.905 ( -2.201 -0.981 -4.771) 5.345 7.043 ( -8.403 1.871 -3.457) 9.276 7.161 ( -2.699 -1.313 -0.649) 3.071 7.300 ( -3.243 3.795 1.267) 5.150 7.420 ( 1.959 -2.734 -0.494) 3.399 7.506 ( -1.568 7.333 5.025) 9.027 7.545 ( -2.005 12.194 -2.709) 12.651 7.608 ( -2.995 2.484 -4.946) 6.293 7.707 ( -3.916 0.682 -7.224) 8.245 7.851 ( 10.100 5.700 7.755) 13.952 8.043 ( 1.862 -7.020 6.924) 10.034 8.210 ( -4.620 -4.760 7.317) 9.876 8.278 ( -0.761 -7.373 -0.231) 7.415 8.439 ( 5.797 6.696 -5.146) 10.244 8.554 ( 4.564 1.278 -5.581) 7.322 8.924 ( -0.376 5.098 -5.327) 7.382 8.958 ( 3.563 7.852 -1.532) 8.757 9.133 ( -3.118 -0.746 3.295) 4.598 9.158 ( -2.065 -0.406 1.648) 2.673 9.365 ( 1.667 -10.274 -1.330) 10.493 9.416 ( 1.887 -4.883 -6.011) 7.971 9.696 ( 2.808 3.212 1.918) 4.678 9.803 ( 8.275 -1.435 2.712) 8.826 9.982 ( -7.536 5.055 -4.346) 10.062 10.077 ( 0.250 -1.301 5.824) 5.973 10.217 ( -1.174 2.463 -1.313) 3.028 10.341 ( 0.756 -0.308 8.921) 8.958 10.502 ( 1.424 3.623 -5.753) 6.946 10.626 ( -3.070 -2.797 -2.294) 4.745 10.827 ( -5.679 5.626 -13.796) 15.945 10.860 ( -2.477 0.303 1.246) 2.789 11.046 ( -6.442 -2.314 -1.003) 6.919 11.144 ( -3.881 -2.487 -1.818) 4.955 11.267 ( -3.100 2.665 -0.497) 4.118 11.375 ( 2.145 -5.207 0.256) 5.637 11.441 ( 1.294 -2.627 -0.308) 2.944 11.534 ( 8.577 -3.927 9.778) 13.586 12.144 ( -9.190 -5.252 -1.670) 10.716 12.339 ( 2.242 -10.009 8.944) 13.609 12.495 ( -4.695 3.702 -6.535) 8.858 12.742 ( 0.405 2.589 2.650) 3.727 12.811 ( 5.634 -3.597 5.068) 8.388 12.891 ( 0.680 -4.307 -5.447) 6.978 12.998 ( -2.167 -7.568 -2.267) 8.192 13.090 ( 6.098 -8.191 11.347) 15.265 13.670 ( -3.447 4.615 1.848) 6.050 13.788 ( -1.127 -0.818 -2.544) 2.900 13.889 ( 1.996 1.022 0.679) 2.343 14.015 ( 5.438 -2.451 -2.518) 6.475 14.493 ( -5.567 6.007 -2.509) 8.566 14.518 ( -2.383 5.073 3.069) 6.390 14.655 ( 0.041 10.052 -1.597) 10.178 14.717 ( 1.641 9.163 -3.086) 9.807 15.156 ( -3.122 -5.179 0.976) 6.125 15.204 ( -2.682 -7.267 1.662) 7.923 15.376 ( 2.766 2.890 1.150) 4.162 15.531 ( 6.124 -2.625 -1.757) 6.891 15.730 ( -4.048 1.825 -4.402) 6.253 15.842 ( -0.585 -2.476 4.179) 4.893 16.053 ( 4.083 5.555 1.576) 7.072 16.214 ( 2.497 -0.607 -2.280) 3.435 16.948 ( -10.788 11.419 7.071) 17.227 17.254 ( -3.498 7.755 -0.554) 8.526 17.475 ( -0.305 -4.068 1.584) 4.376 17.772 ( 2.851 -7.961 -10.319) 13.341 20.663 ( -2.013 3.059 1.452) 3.939 20.749 ( 0.638 -1.002 -4.031) 4.202 21.265 ( -8.003 0.880 7.023) 10.684 21.485 ( -2.739 -8.611 -11.324) 14.487 23.695 ( -1.916 1.583 2.333) 3.409 23.734 ( -0.810 0.509 0.809) 1.253 23.828 ( -2.157 4.069 -1.637) 4.888 23.900 ( 0.931 2.189 0.904) 2.545 24.041 ( -1.397 -3.350 -4.184) 5.540 24.051 ( 0.326 -1.038 4.984) 5.101 24.192 ( -0.064 -5.097 7.288) 8.894 24.265 ( 0.608 -5.929 -3.647) 6.987 24.506 ( -0.447 1.334 1.937) 2.394 24.562 ( 1.512 -1.084 -1.067) 2.145 25.032 ( -0.469 1.817 1.085) 2.168 25.113 ( 3.006 -1.877 -0.041) 3.544 25.538 ( -0.650 -1.657 0.827) 1.963 25.565 ( -0.528 -2.679 -1.816) 3.279 25.599 ( -0.725 -1.334 -0.870) 1.750 25.608 ( -0.490 -1.923 0.160) 1.991 26.069 ( -2.266 2.536 4.623) 5.739 26.116 ( -1.040 1.100 0.356) 1.555 26.360 ( -2.663 0.878 -1.852) 3.361 26.438 ( 1.607 -2.265 -1.021) 2.959 27.120 ( -8.087 9.179 1.562) 12.333 27.413 ( 2.004 0.415 -5.139) 5.531 27.776 ( 5.700 1.249 2.484) 6.342 27.959 ( 10.062 -3.399 0.013) 10.621 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -16.136 14.423 15.522) 26.633 2.278 ( -17.087 17.480 9.278) 26.146 2.459 ( -7.857 -5.873 10.148) 14.114 2.743 ( 0.439 -1.805 -5.106) 5.433 2.818 ( 3.437 3.456 4.864) 6.886 2.920 ( 1.708 2.226 -10.446) 10.816 3.013 ( -1.941 -3.818 -2.944) 5.197 3.020 ( -4.209 9.642 4.122) 11.299 3.324 ( -8.520 -4.639 -4.698) 10.779 3.349 ( -6.026 0.946 0.247) 6.105 3.403 ( -1.970 1.916 -1.228) 3.010 3.469 ( -5.539 -1.111 1.186) 5.773 3.798 ( 7.639 -2.093 -1.353) 8.035 3.944 ( 5.083 0.600 5.312) 7.377 3.997 ( -2.587 2.486 -0.213) 3.594 4.113 ( 8.559 2.867 4.356) 10.022 4.200 ( 6.046 1.943 -0.675) 6.387 4.424 ( 9.785 1.422 0.759) 9.917 4.522 ( 1.802 -7.482 -2.783) 8.184 4.612 ( 6.412 0.592 7.818) 10.128 4.783 ( -1.722 0.727 1.166) 2.203 4.959 ( 3.182 2.467 -11.653) 12.329 5.118 ( 3.004 -6.175 -1.753) 7.087 5.272 ( 4.081 -2.942 -3.782) 6.294 5.447 ( 5.100 1.260 0.944) 5.337 5.456 ( 8.169 -0.257 10.518) 13.321 5.604 ( 3.118 0.882 2.808) 4.288 5.667 ( 0.013 -0.702 1.667) 1.809 5.730 ( 12.185 -2.109 3.451) 12.839 5.844 ( 5.767 1.141 4.099) 7.167 5.956 ( -2.239 -0.865 -5.843) 6.317 6.091 ( -2.929 -5.421 -3.888) 7.286 6.156 ( -0.244 4.927 2.451) 5.508 6.260 ( 5.753 -1.495 -0.602) 5.975 6.340 ( -2.370 1.762 3.126) 4.300 6.441 ( -7.276 4.961 -3.671) 9.541 6.519 ( 0.762 -1.557 0.629) 1.844 6.608 ( -2.991 -6.758 -1.663) 7.575 6.679 ( -4.575 4.053 1.077) 6.206 6.894 ( -2.286 -1.525 -3.150) 4.180 6.943 ( 1.291 -2.330 1.943) 3.297 7.087 ( -4.228 -5.711 -0.305) 7.112 7.213 ( -4.816 8.374 -1.616) 9.794 7.415 ( -2.408 5.203 -3.581) 6.760 7.463 ( 2.318 -8.271 1.611) 8.740 7.513 ( -0.659 4.566 5.741) 7.365 7.631 ( -2.156 2.157 -1.557) 3.424 7.657 ( 3.992 1.188 -2.058) 4.645 8.025 ( -4.374 -2.768 4.306) 6.733 8.077 ( 3.179 -1.687 4.769) 5.975 8.171 ( 2.875 -6.248 1.404) 7.020 8.249 ( -3.512 -6.121 2.501) 7.487 8.536 ( 5.703 6.812 -7.493) 11.622 8.638 ( 6.321 3.622 2.211) 7.613 8.821 ( -5.124 2.543 -9.321) 10.936 8.975 ( -2.145 3.663 0.504) 4.275 9.105 ( 0.489 3.510 -2.329) 4.241 9.142 ( -0.245 3.341 0.641) 3.411 9.369 ( 0.145 -6.125 -5.757) 8.408 9.437 ( 3.962 -4.561 -3.818) 7.147 9.696 ( -7.853 5.426 -5.071) 10.808 9.801 ( -4.918 -0.718 -4.134) 6.465 9.990 ( 10.592 -0.980 -2.712) 10.978 10.145 ( 1.283 2.615 9.987) 10.403 10.199 ( -0.041 -2.840 0.207) 2.848 10.357 ( -4.043 -0.651 4.222) 5.882 10.445 ( -5.121 -1.475 -3.962) 6.641 10.520 ( -2.988 1.893 -2.774) 4.495 10.689 ( -1.823 0.048 -12.094) 12.231 10.761 ( -7.741 -1.040 -1.562) 7.966 10.871 ( -8.214 -5.328 -1.385) 9.888 11.020 ( -3.966 -8.199 -5.436) 10.606 11.338 ( 4.688 9.043 7.607) 12.713 11.427 ( 3.026 -2.220 -0.183) 3.758 11.488 ( 0.873 0.548 3.363) 3.518 11.701 ( 2.584 -5.690 8.659) 10.678 12.000 ( -3.632 0.419 0.443) 3.683 12.311 ( -3.928 -3.292 -1.250) 5.276 12.483 ( 0.519 -4.446 2.135) 4.959 12.658 ( -4.723 -9.338 -8.416) 13.428 12.915 ( 5.374 6.658 6.349) 10.654 13.007 ( 3.087 -3.798 5.636) 7.465 13.045 ( 7.402 -3.055 9.789) 12.647 13.302 ( 7.137 -7.096 15.130) 18.172 13.595 ( -4.664 5.439 -0.028) 7.165 13.740 ( -2.810 3.051 -1.295) 4.345 13.941 ( 2.930 -0.153 -0.422) 2.965 14.103 ( 4.751 -3.161 -0.340) 5.716 14.321 ( -5.679 6.924 -10.872) 14.085 14.487 ( -2.601 0.921 0.130) 2.762 14.621 ( 0.209 6.784 -7.193) 9.889 14.752 ( 0.965 3.769 0.357) 3.907 15.111 ( -2.332 -3.666 1.510) 4.600 15.153 ( -3.527 -5.139 2.104) 6.579 15.467 ( 4.925 4.450 2.184) 6.987 15.583 ( -0.179 -1.149 -5.232) 5.360 15.662 ( -0.635 1.960 -1.090) 2.331 15.801 ( -4.013 0.340 2.232) 4.604 16.173 ( 4.591 -1.994 -1.433) 5.206 16.188 ( -2.761 0.753 -0.930) 3.009 16.819 ( -6.591 13.622 8.034) 17.133 17.167 ( -4.335 3.718 0.779) 5.764 17.494 ( 2.072 -1.093 -3.334) 4.074 17.702 ( -4.355 -5.919 -9.376) 11.913 20.636 ( -1.849 3.655 1.541) 4.376 20.738 ( 0.353 -1.281 -2.847) 3.142 21.116 ( -10.894 1.415 3.043) 11.399 21.297 ( -9.764 -5.443 -11.376) 15.950 23.676 ( -1.755 1.427 2.652) 3.486 23.721 ( -1.164 0.446 0.948) 1.566 23.779 ( -1.874 2.487 -1.700) 3.548 23.895 ( -1.980 -0.690 -1.379) 2.510 24.017 ( 1.015 0.479 0.067) 1.125 24.070 ( -0.087 2.007 1.987) 2.826 24.218 ( -0.845 -4.962 3.595) 6.186 24.289 ( 1.849 -8.889 0.355) 9.087 24.526 ( 1.485 2.075 3.131) 4.039 24.630 ( 4.750 -3.056 5.362) 7.788 25.029 ( -0.400 2.333 -0.369) 2.396 25.134 ( -0.712 -3.206 -2.696) 4.249 25.503 ( -1.290 0.603 -1.395) 1.994 25.557 ( 0.319 -2.390 1.116) 2.657 25.599 ( -0.583 -2.657 0.972) 2.889 25.613 ( 1.244 -2.383 0.810) 2.807 26.048 ( -3.077 2.221 5.162) 6.407 26.100 ( -1.547 0.927 2.562) 3.133 26.294 ( -2.807 2.677 -2.847) 4.812 26.451 ( 0.551 -3.605 -1.824) 4.077 27.010 ( -5.257 7.233 2.957) 9.418 27.360 ( -2.529 -6.766 -6.779) 9.906 27.980 ( 13.160 5.926 1.662) 14.528 28.143 ( 9.862 -1.049 -0.490) 9.930 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -10.792 15.006 17.533) 25.477 2.117 ( -6.932 14.087 13.721) 20.851 2.323 ( -11.675 1.726 1.988) 11.968 2.698 ( -0.769 0.128 -8.338) 8.374 2.809 ( -3.219 -3.692 -4.395) 6.581 2.897 ( 4.817 0.207 -6.365) 7.985 3.026 ( -1.415 -3.059 -1.935) 3.887 3.064 ( -0.350 9.557 11.324) 14.822 3.157 ( 1.888 2.185 -2.686) 3.944 3.245 ( -7.538 -4.500 0.567) 8.797 3.312 ( -5.552 2.745 7.669) 9.858 3.506 ( 5.988 -6.231 3.229) 9.225 3.879 ( -1.243 -3.231 -0.076) 3.463 3.903 ( -2.246 6.063 1.433) 6.623 4.013 ( -0.249 -0.585 3.464) 3.522 4.311 ( 4.360 -3.029 0.869) 5.379 4.382 ( 9.946 1.088 -1.330) 10.093 4.465 ( 1.978 2.648 -4.629) 5.688 4.597 ( 6.049 -4.912 1.502) 7.936 4.756 ( 3.956 1.465 3.924) 5.761 4.847 ( 3.941 -5.264 7.003) 9.606 4.959 ( 3.352 -4.035 -11.003) 12.190 5.225 ( 8.908 1.873 1.511) 9.227 5.304 ( 1.829 0.116 -4.284) 4.660 5.492 ( 1.906 6.487 -3.411) 7.573 5.617 ( 1.232 5.030 3.565) 6.287 5.644 ( 0.957 -1.284 2.202) 2.723 5.691 ( 1.417 -1.439 5.411) 5.776 5.797 ( -8.910 1.126 -3.881) 9.784 5.835 ( 0.479 1.454 -2.901) 3.281 5.986 ( -2.632 4.188 7.573) 9.045 5.998 ( 0.898 2.627 -6.784) 7.331 6.139 ( -0.545 2.165 0.946) 2.425 6.312 ( 0.293 -4.650 2.244) 5.172 6.323 ( -1.159 6.523 -4.867) 8.220 6.380 ( 1.341 3.573 2.302) 4.457 6.564 ( 1.272 2.504 0.730) 2.902 6.587 ( 4.777 -5.273 1.886) 7.361 6.672 ( 2.763 -1.138 -0.759) 3.084 6.890 ( 2.051 -4.094 4.047) 6.111 6.926 ( -2.580 0.398 -3.670) 4.504 7.060 ( 0.054 -4.324 0.537) 4.358 7.185 ( 1.637 6.781 -0.717) 7.013 7.407 ( 1.380 -0.906 -2.425) 2.934 7.431 ( -3.777 -4.694 1.812) 6.292 7.591 ( 2.463 3.171 6.846) 7.937 7.635 ( 1.668 -4.293 6.442) 7.919 7.700 ( 2.028 0.683 -2.537) 3.319 7.900 ( -6.543 -2.500 -5.562) 8.944 8.116 ( -0.577 -6.734 4.764) 8.269 8.184 ( -2.770 -4.001 4.641) 6.725 8.298 ( 4.552 -2.582 2.055) 5.623 8.507 ( -3.293 2.986 -9.846) 10.803 8.673 ( -4.015 -1.472 -9.533) 10.448 8.784 ( 5.621 4.904 5.833) 9.470 8.953 ( 0.429 2.264 -0.751) 2.423 9.071 ( -3.972 6.499 -2.566) 8.038 9.143 ( 0.081 1.308 1.039) 1.672 9.347 ( 0.722 -3.709 -0.748) 3.852 9.422 ( -7.650 -0.930 -7.872) 11.016 9.493 ( -0.244 -0.326 -10.309) 10.317 9.659 ( -8.009 -4.444 -4.414) 10.168 10.100 ( -2.751 -0.199 0.362) 2.782 10.182 ( 3.293 -0.172 -9.062) 9.643 10.241 ( 2.363 -2.844 6.063) 7.102 10.283 ( -1.451 -0.277 -0.334) 1.514 10.387 ( -3.985 -1.042 2.154) 4.648 10.471 ( 0.669 -4.261 -4.013) 5.892 10.603 ( -2.374 -4.199 -4.761) 6.778 10.627 ( -3.045 -3.043 5.108) 6.680 10.805 ( -0.147 0.150 -0.807) 0.834 10.976 ( 0.922 -5.883 -2.552) 6.478 11.413 ( 0.170 6.354 0.654) 6.390 11.475 ( -2.423 4.691 4.159) 6.721 11.515 ( 6.481 -1.316 -0.989) 6.687 11.703 ( -5.805 -3.830 3.717) 7.885 12.060 ( 6.187 1.120 7.507) 9.792 12.267 ( -2.182 -5.560 2.573) 6.504 12.455 ( -1.518 -2.098 -1.324) 2.908 12.566 ( -1.042 -5.964 -7.918) 9.967 13.055 ( 1.747 3.833 9.292) 10.203 13.084 ( 3.995 0.202 8.212) 9.135 13.230 ( 5.233 4.324 6.358) 9.300 13.456 ( 2.341 0.612 3.458) 4.221 13.550 ( -2.772 0.928 8.757) 9.232 13.684 ( -1.873 5.211 3.109) 6.350 13.977 ( 1.864 -3.890 -1.441) 4.548 14.133 ( -2.381 -3.316 1.139) 4.238 14.255 ( 4.328 2.943 -8.076) 9.623 14.441 ( 0.186 -3.387 -6.989) 7.769 14.600 ( 1.957 5.131 -5.738) 7.943 14.728 ( -2.879 -0.318 -2.744) 3.990 15.086 ( -1.400 0.100 3.133) 3.433 15.148 ( 2.105 -3.977 2.280) 5.044 15.485 ( -4.213 2.583 -7.567) 9.038 15.546 ( -0.160 5.774 1.381) 5.939 15.620 ( -3.523 -3.762 0.906) 5.233 15.761 ( -1.848 -0.661 1.023) 2.214 16.092 ( -4.865 0.732 1.132) 5.048 16.198 ( -1.005 -4.001 -3.743) 5.570 16.841 ( 3.057 14.401 8.601) 17.050 17.138 ( 1.268 3.495 -1.620) 4.055 17.498 ( 1.173 -0.862 -5.546) 5.734 17.526 ( -9.528 -0.205 -4.852) 10.694 20.617 ( -0.920 4.039 0.745) 4.209 20.720 ( -1.076 -0.643 -3.547) 3.762 20.950 ( -6.682 1.894 0.852) 6.997 21.065 ( -9.022 -1.502 -5.182) 10.513 23.664 ( -1.130 1.282 2.455) 2.991 23.706 ( -0.842 1.003 0.666) 1.470 23.747 ( -0.823 0.586 -0.607) 1.179 23.843 ( -1.640 -2.126 -3.436) 4.361 24.045 ( -0.376 2.394 4.657) 5.250 24.084 ( 1.608 2.653 -1.103) 3.292 24.222 ( -0.579 -4.755 2.803) 5.550 24.303 ( 0.146 -7.781 -1.292) 7.888 24.602 ( 3.978 3.128 5.637) 7.575 24.764 ( 5.259 -4.842 6.029) 9.352 25.003 ( -2.162 1.130 -1.910) 3.098 25.055 ( -4.675 -1.530 -4.172) 6.450 25.508 ( 1.804 1.515 0.289) 2.373 25.562 ( -0.735 -1.434 0.950) 1.871 25.617 ( 1.656 -3.036 1.390) 3.727 25.642 ( 1.318 -4.054 0.818) 4.340 26.018 ( -3.510 2.548 5.810) 7.250 26.097 ( -0.918 0.663 4.539) 4.678 26.243 ( -0.741 1.410 -2.293) 2.792 26.434 ( -0.734 -4.534 -3.410) 5.721 26.967 ( -2.027 4.323 5.051) 6.950 27.271 ( -2.181 -8.672 -8.696) 12.473 28.204 ( 9.494 5.006 0.487) 10.744 28.291 ( 6.608 0.567 -1.420) 6.782 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 1.566 -8.995 5.791) 10.812 2.041 ( 1.566 8.995 5.791) 10.812 2.545 ( -5.822 -16.809 12.445) 21.710 2.545 ( -5.822 16.809 12.445) 21.710 2.786 ( 3.595 -7.636 -7.264) 11.135 2.786 ( 3.595 7.636 -7.264) 11.135 2.915 ( -6.065 -1.652 -1.162) 6.393 2.915 ( -6.065 1.652 -1.162) 6.393 3.189 ( 3.565 -2.621 -6.393) 7.775 3.189 ( 3.565 2.621 -6.393) 7.775 3.545 ( 3.999 -2.042 1.003) 4.601 3.545 ( 3.999 2.042 1.003) 4.601 3.886 ( -1.086 -2.358 5.276) 5.880 3.886 ( -1.086 2.358 5.276) 5.880 4.139 ( -1.879 -7.052 2.444) 7.697 4.139 ( -1.879 7.052 2.444) 7.697 4.524 ( -1.004 -2.413 2.847) 3.864 4.524 ( -1.004 2.413 2.847) 3.864 4.681 ( -0.050 -5.105 -0.583) 5.138 4.681 ( -0.050 5.105 -0.583) 5.138 4.921 ( 0.663 -2.852 3.246) 4.372 4.921 ( 0.663 2.852 3.246) 4.372 5.387 ( 3.248 -3.144 -1.187) 4.674 5.387 ( 3.248 3.144 -1.187) 4.674 5.482 ( -8.196 -3.082 -3.928) 9.596 5.482 ( -8.196 3.082 -3.928) 9.596 5.668 ( 0.256 -3.027 0.497) 3.078 5.668 ( 0.256 3.027 0.497) 3.078 5.818 ( 4.584 -1.369 -0.616) 4.824 5.818 ( 4.584 1.369 -0.616) 4.824 6.087 ( 3.413 -4.027 1.501) 5.487 6.087 ( 3.413 4.027 1.501) 5.487 6.164 ( -4.833 -1.710 -3.649) 6.293 6.164 ( -4.833 1.710 -3.649) 6.293 6.466 ( 0.935 -0.115 0.660) 1.150 6.466 ( 0.935 0.115 0.660) 1.150 6.598 ( 1.886 -1.471 0.365) 2.419 6.598 ( 1.886 1.471 0.365) 2.419 6.828 ( 1.993 -6.852 5.533) 9.030 6.828 ( 1.993 6.852 5.533) 9.030 6.953 ( 0.075 -4.993 -2.759) 5.705 6.953 ( 0.075 4.993 -2.759) 5.705 7.295 ( 1.188 -1.846 0.257) 2.210 7.295 ( 1.188 1.846 0.257) 2.210 7.542 ( 0.696 -5.438 4.110) 6.852 7.542 ( 0.696 5.438 4.110) 6.852 7.701 ( -2.262 -1.340 -7.980) 8.402 7.701 ( -2.262 1.340 -7.980) 8.402 7.889 ( 0.662 -11.979 11.793) 16.823 7.889 ( 0.662 11.979 11.793) 16.823 8.286 ( 3.088 -4.277 3.312) 6.228 8.286 ( 3.088 4.277 3.312) 6.228 8.448 ( -3.981 -6.511 -9.518) 12.199 8.448 ( -3.981 6.511 -9.518) 12.199 8.927 ( -0.524 -3.656 -1.668) 4.052 8.927 ( -0.524 3.656 -1.668) 4.052 9.166 ( -2.787 -4.061 -4.713) 6.817 9.166 ( -2.787 4.061 -4.713) 6.817 9.214 ( 1.872 -7.173 1.981) 7.674 9.214 ( 1.872 7.173 1.981) 7.674 9.474 ( -2.790 -5.826 -7.589) 9.966 9.474 ( -2.790 5.826 -7.589) 9.966 10.090 ( -5.544 -6.247 1.943) 8.575 10.090 ( -5.544 6.247 1.943) 8.575 10.247 ( 5.146 -7.185 -5.969) 10.665 10.247 ( 5.146 7.185 -5.969) 10.665 10.302 ( -1.766 -2.917 -2.195) 4.055 10.302 ( -1.766 2.917 -2.195) 4.055 10.612 ( 1.384 -1.046 4.808) 5.112 10.612 ( 1.384 1.046 4.808) 5.112 10.948 ( 3.630 -2.257 -1.821) 4.646 10.948 ( 3.630 2.257 -1.821) 4.646 11.509 ( -4.259 -4.122 0.396) 5.941 11.509 ( -4.259 4.122 0.396) 5.941 11.544 ( 3.607 -4.071 -1.371) 5.609 11.544 ( 3.607 4.071 -1.371) 5.609 12.199 ( -0.961 -1.964 9.803) 10.044 12.199 ( -0.961 1.964 9.803) 10.044 12.459 ( 1.470 -1.258 -6.476) 6.759 12.459 ( 1.470 1.258 -6.476) 6.759 13.192 ( 1.317 -3.982 9.800) 10.660 13.192 ( 1.317 3.982 9.800) 10.660 13.499 ( 0.246 -1.848 -1.806) 2.595 13.499 ( 0.246 1.848 -1.806) 2.595 13.647 ( 2.037 -12.013 17.023) 20.935 13.647 ( 2.037 12.013 17.023) 20.935 13.959 ( -2.275 -5.446 -6.106) 8.492 13.959 ( -2.275 5.446 -6.106) 8.492 14.311 ( -0.633 -3.701 -8.713) 9.488 14.311 ( -0.633 3.701 -8.713) 9.488 14.653 ( -0.852 -0.656 -3.193) 3.369 14.653 ( -0.852 0.656 -3.193) 3.369 15.158 ( 2.005 -1.626 2.014) 3.275 15.158 ( 2.005 1.626 2.014) 3.275 15.437 ( -1.634 -2.204 -2.711) 3.857 15.437 ( -1.634 2.204 -2.711) 3.857 15.660 ( 0.278 -3.254 -1.125) 3.454 15.660 ( 0.278 3.254 -1.125) 3.454 16.101 ( -1.791 -1.934 1.324) 2.950 16.101 ( -1.791 1.934 1.324) 2.950 17.137 ( 1.951 -5.294 2.813) 6.304 17.137 ( 1.951 5.294 2.813) 6.304 17.450 ( -1.171 -3.874 -3.612) 5.425 17.450 ( -1.171 3.874 -3.612) 5.425 20.675 ( 0.348 -1.249 -1.307) 1.841 20.675 ( 0.348 1.249 -1.307) 1.841 20.931 ( -0.603 -0.907 -0.689) 1.289 20.931 ( -0.603 0.907 -0.689) 1.289 23.695 ( -0.155 -1.497 2.196) 2.662 23.695 ( -0.155 1.497 2.196) 2.662 23.760 ( 0.058 -2.128 -2.911) 3.606 23.760 ( 0.058 2.128 -2.911) 3.606 24.124 ( -0.653 -3.973 2.526) 4.753 24.124 ( -0.653 3.973 2.526) 4.753 24.185 ( 0.791 -3.366 -0.038) 3.458 24.185 ( 0.791 3.366 -0.038) 3.458 24.790 ( 3.315 -3.229 5.050) 6.850 24.790 ( 3.315 3.229 5.050) 6.850 24.948 ( -2.927 -1.685 -2.681) 4.312 24.948 ( -2.927 1.685 -2.681) 4.312 25.570 ( -0.544 -2.212 0.636) 2.365 25.570 ( -0.544 2.212 0.636) 2.365 25.597 ( 1.770 -1.993 -0.401) 2.695 25.597 ( 1.770 1.993 -0.401) 2.695 26.076 ( -1.050 -3.758 9.160) 9.956 26.076 ( -1.050 3.758 9.160) 9.956 26.288 ( 0.070 -4.695 -7.025) 8.450 26.288 ( 0.070 4.695 -7.025) 8.450 27.057 ( -0.037 -5.030 -1.818) 5.349 27.057 ( -0.037 5.030 -1.818) 5.349 28.345 ( 0.058 -1.105 -0.742) 1.332 28.345 ( 0.058 1.105 -0.742) 1.332 ======================= Grid point 145 (78/84) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 8.945 -4.318 1.572) 10.057 2.161 ( 8.945 4.318 1.572) 10.057 2.545 ( -1.549 -9.990 13.252) 16.667 2.545 ( -1.549 9.990 13.252) 16.667 2.786 ( -7.364 -3.221 0.526) 8.055 2.786 ( -7.364 3.221 0.526) 8.055 2.898 ( 10.556 -10.782 -5.084) 15.922 2.898 ( 10.556 10.782 -5.084) 15.922 3.222 ( 4.148 -3.461 -3.700) 6.549 3.222 ( 4.148 3.461 -3.700) 6.549 3.569 ( 0.408 -1.117 -4.985) 5.125 3.569 ( 0.408 1.117 -4.985) 5.125 3.876 ( -2.355 -1.761 3.964) 4.936 3.876 ( -2.355 1.761 3.964) 4.936 4.173 ( 1.618 -1.114 3.575) 4.079 4.173 ( 1.618 1.114 3.575) 4.079 4.450 ( -7.660 -3.186 2.095) 8.557 4.450 ( -7.660 3.186 2.095) 8.557 4.607 ( -7.084 -1.502 -0.360) 7.251 4.607 ( -7.084 1.502 -0.360) 7.251 4.896 ( -4.637 -0.778 1.562) 4.955 4.896 ( -4.637 0.778 1.562) 4.955 5.221 ( -10.946 -1.660 0.532) 11.084 5.221 ( -10.946 1.660 0.532) 11.084 5.546 ( 4.520 -1.502 5.635) 7.379 5.546 ( 4.520 1.502 5.635) 7.379 5.687 ( 1.947 -1.331 -2.225) 3.242 5.687 ( 1.947 1.331 -2.225) 3.242 5.887 ( -0.361 -5.512 -8.425) 10.074 5.887 ( -0.361 5.512 -8.425) 10.074 6.080 ( 5.415 -6.510 0.912) 8.517 6.080 ( 5.415 6.510 0.912) 8.517 6.174 ( 1.425 -3.995 3.085) 5.244 6.174 ( 1.425 3.995 3.085) 5.244 6.434 ( -4.842 -4.230 -1.395) 6.580 6.434 ( -4.842 4.230 -1.395) 6.580 6.563 ( -2.891 -2.917 -2.984) 5.077 6.563 ( -2.891 2.917 -2.984) 5.077 6.861 ( -0.881 -5.490 -1.786) 5.840 6.861 ( -0.881 5.490 -1.786) 5.840 6.963 ( 3.099 -4.253 -0.126) 5.264 6.963 ( 3.099 4.253 -0.126) 5.264 7.296 ( -1.087 -4.359 -2.272) 5.034 7.296 ( -1.087 4.359 -2.272) 5.034 7.528 ( -2.042 -1.679 2.268) 3.484 7.528 ( -2.042 1.679 2.268) 3.484 7.675 ( 1.331 -0.804 -1.335) 2.049 7.675 ( 1.331 0.804 -1.335) 2.049 7.999 ( 4.971 -8.006 7.024) 11.754 7.999 ( 4.971 8.006 7.024) 11.754 8.300 ( -3.161 -2.859 -4.406) 6.130 8.300 ( -3.161 2.859 -4.406) 6.130 8.419 ( 4.735 -2.683 -1.259) 5.586 8.419 ( 4.735 2.683 -1.259) 5.586 8.912 ( -0.219 -5.454 1.948) 5.795 8.912 ( -0.219 5.454 1.948) 5.795 9.106 ( -2.802 -1.646 -0.097) 3.252 9.106 ( -2.802 1.646 -0.097) 3.252 9.289 ( 4.043 -3.000 -1.236) 5.184 9.289 ( 4.043 3.000 -1.236) 5.184 9.426 ( 1.188 -3.447 1.589) 3.977 9.426 ( 1.188 3.447 1.589) 3.977 10.023 ( -5.646 -6.827 6.508) 10.993 10.023 ( -5.646 6.827 6.508) 10.993 10.265 ( 4.594 -1.446 -5.767) 7.514 10.265 ( 4.594 1.446 -5.767) 7.514 10.360 ( 5.158 -4.125 0.720) 6.644 10.360 ( 5.158 4.125 0.720) 6.644 10.655 ( 1.818 -3.063 -0.395) 3.584 10.655 ( 1.818 3.063 -0.395) 3.584 10.923 ( -2.820 -4.659 -5.999) 8.102 10.923 ( -2.820 4.659 -5.999) 8.102 11.451 ( -1.469 -2.398 1.136) 3.033 11.451 ( -1.469 2.398 1.136) 3.033 11.663 ( 7.957 -4.640 -1.335) 9.307 11.663 ( 7.957 4.640 -1.335) 9.307 12.183 ( -5.254 -5.747 7.053) 10.505 12.183 ( -5.254 5.747 7.053) 10.505 12.450 ( 1.435 -2.799 -5.590) 6.414 12.450 ( 1.435 2.799 -5.590) 6.414 13.225 ( -2.288 -1.730 2.503) 3.807 13.225 ( -2.288 1.730 2.503) 3.807 13.450 ( -2.541 -1.864 -0.722) 3.233 13.450 ( -2.541 1.864 -0.722) 3.233 13.764 ( -0.625 -3.998 3.858) 5.592 13.764 ( -0.625 3.998 3.858) 5.592 13.968 ( 7.779 -12.186 0.492) 14.465 13.968 ( 7.779 12.186 0.492) 14.465 14.190 ( -8.058 -2.846 -2.931) 9.034 14.190 ( -8.058 2.846 -2.931) 9.034 14.636 ( 0.464 -3.388 -0.322) 3.435 14.636 ( 0.464 3.388 -0.322) 3.435 15.155 ( -0.504 -1.830 -1.249) 2.272 15.155 ( -0.504 1.830 -1.249) 2.272 15.506 ( 5.196 -7.570 -0.106) 9.182 15.506 ( 5.196 7.570 -0.106) 9.182 15.668 ( 1.827 -5.763 -0.030) 6.046 15.668 ( 1.827 5.763 -0.030) 6.046 16.086 ( -0.852 -0.685 3.019) 3.210 16.086 ( -0.852 0.685 3.019) 3.210 17.172 ( 1.974 -3.776 -1.028) 4.383 17.172 ( 1.974 3.776 -1.028) 4.383 17.433 ( 0.292 -7.384 -0.593) 7.414 17.433 ( 0.292 7.384 -0.593) 7.414 20.695 ( 2.583 -1.473 -1.623) 3.387 20.695 ( 2.583 1.473 -1.623) 3.387 20.970 ( 4.639 -3.290 1.074) 5.788 20.970 ( 4.639 3.290 1.074) 5.788 23.711 ( 0.466 -1.217 2.106) 2.476 23.711 ( 0.466 1.217 2.106) 2.476 23.758 ( 1.330 -1.225 -2.186) 2.837 23.758 ( 1.330 1.225 -2.186) 2.837 24.120 ( -1.237 -4.330 1.679) 4.806 24.120 ( -1.237 4.330 1.679) 4.806 24.202 ( 1.495 -2.382 -0.765) 2.915 24.202 ( 1.495 2.382 -0.765) 2.915 24.788 ( -3.639 -2.613 -3.104) 5.451 24.788 ( -3.639 2.613 -3.104) 5.451 24.949 ( 2.154 -1.647 3.498) 4.425 24.949 ( 2.154 1.647 3.498) 4.425 25.549 ( -1.677 -2.581 0.115) 3.080 25.549 ( -1.677 2.581 0.115) 3.080 25.616 ( 1.022 -1.952 -1.928) 2.928 25.616 ( 1.022 1.952 -1.928) 2.928 26.119 ( -0.150 -4.283 7.319) 8.482 26.119 ( -0.150 4.283 7.319) 8.482 26.273 ( 2.507 -2.305 -4.880) 5.951 26.273 ( 2.507 2.305 -4.880) 5.951 27.076 ( 2.948 -2.002 -0.791) 3.650 27.076 ( 2.948 2.002 -0.791) 3.650 28.271 ( -7.544 -1.424 -0.340) 7.685 28.271 ( -7.544 1.424 -0.340) 7.685 ======================= Grid point 147 (79/84) ======================= q-point: ( 0.25 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 12.125 -2.101 1.850) 12.444 2.369 ( 12.125 2.101 1.850) 12.444 2.625 ( -0.403 -1.181 5.455) 5.596 2.625 ( -0.403 1.181 5.455) 5.596 2.666 ( -1.348 -3.240 4.499) 5.706 2.666 ( -1.348 3.240 4.499) 5.706 3.066 ( 8.088 -13.214 -2.324) 15.666 3.066 ( 8.088 13.214 -2.324) 15.666 3.317 ( 6.519 -3.906 0.842) 7.646 3.317 ( 6.519 3.906 0.842) 7.646 3.503 ( -3.178 -3.390 -7.315) 8.666 3.503 ( -3.178 3.390 -7.315) 8.666 3.888 ( 1.113 -6.718 2.885) 7.396 3.888 ( 1.113 6.718 2.885) 7.396 4.130 ( -8.211 -3.656 1.115) 9.057 4.130 ( -8.211 3.656 1.115) 9.057 4.333 ( -3.655 -5.087 -0.872) 6.324 4.333 ( -3.655 5.087 -0.872) 6.324 4.500 ( -4.060 -5.712 2.251) 7.361 4.500 ( -4.060 5.712 2.251) 7.361 4.798 ( -6.239 -0.683 2.098) 6.617 4.798 ( -6.239 0.683 2.098) 6.617 5.050 ( -9.963 -2.949 5.417) 11.718 5.050 ( -9.963 2.949 5.417) 11.718 5.564 ( -4.325 -2.846 1.417) 5.367 5.564 ( -4.325 2.846 1.417) 5.367 5.737 ( 0.473 -5.607 -6.559) 8.642 5.737 ( 0.473 5.607 -6.559) 8.642 5.809 ( 1.737 -8.549 -1.829) 8.913 5.809 ( 1.737 8.549 -1.829) 8.913 6.080 ( -7.661 -6.136 -7.451) 12.324 6.080 ( -7.661 6.136 -7.451) 12.324 6.198 ( -4.034 -1.125 5.422) 6.851 6.198 ( -4.034 1.125 5.422) 6.851 6.430 ( 8.152 -2.388 -1.041) 8.559 6.430 ( 8.152 2.388 -1.041) 8.559 6.513 ( 0.544 -1.888 -3.450) 3.971 6.513 ( 0.544 1.888 -3.450) 3.971 6.841 ( 1.852 -5.186 -1.956) 5.844 6.841 ( 1.852 5.186 -1.956) 5.844 7.018 ( 2.589 -3.287 -1.929) 4.607 7.018 ( 2.589 3.287 -1.929) 4.607 7.284 ( 1.777 -5.316 2.784) 6.259 7.284 ( 1.777 5.316 2.784) 6.259 7.517 ( 0.202 -0.740 -2.668) 2.776 7.517 ( 0.202 0.740 -2.668) 2.776 7.685 ( -0.688 -4.797 1.599) 5.103 7.685 ( -0.688 4.797 1.599) 5.103 8.127 ( 4.385 -4.909 1.670) 6.791 8.127 ( 4.385 4.909 1.670) 6.791 8.197 ( -1.650 -5.506 -9.002) 10.680 8.197 ( -1.650 5.506 -9.002) 10.680 8.489 ( 0.658 -5.065 4.389) 6.734 8.489 ( 0.658 5.065 4.389) 6.734 8.941 ( 1.724 -5.348 3.174) 6.453 8.941 ( 1.724 5.348 3.174) 6.453 9.052 ( -3.783 -2.675 3.754) 5.963 9.052 ( -3.783 2.675 3.754) 5.963 9.298 ( -0.386 -3.338 -4.461) 5.585 9.298 ( -0.386 3.338 -4.461) 5.585 9.574 ( 8.455 -1.098 11.303) 14.158 9.574 ( 8.455 1.098 11.303) 14.158 9.951 ( -5.240 -5.451 7.168) 10.419 9.951 ( -5.240 5.451 7.168) 10.419 10.304 ( -0.089 -6.263 -4.536) 7.733 10.304 ( -0.089 6.263 -4.536) 7.733 10.491 ( 8.225 -3.551 3.628) 9.666 10.491 ( 8.225 3.551 3.628) 9.666 10.677 ( 2.367 -4.306 -2.837) 5.674 10.677 ( 2.367 4.306 -2.837) 5.674 10.868 ( 1.513 -8.989 -3.520) 9.771 10.868 ( 1.513 8.989 -3.520) 9.771 11.432 ( -1.566 -2.317 -0.682) 2.878 11.432 ( -1.566 2.317 -0.682) 2.878 11.749 ( 2.191 -3.987 -5.097) 6.832 11.749 ( 2.191 3.987 -5.097) 6.832 12.139 ( -3.002 -7.100 6.823) 10.294 12.139 ( -3.002 7.100 6.823) 10.294 12.461 ( 3.334 -6.424 -4.474) 8.509 12.461 ( 3.334 6.424 -4.474) 8.509 13.131 ( -6.232 -3.059 -5.280) 8.722 13.131 ( -6.232 3.059 -5.280) 8.722 13.391 ( -4.186 -6.902 -5.326) 9.671 13.391 ( -4.186 6.902 -5.326) 9.671 13.722 ( -1.024 -2.760 -4.427) 5.316 13.722 ( -1.024 2.760 -4.427) 5.316 14.001 ( -6.405 -6.596 -0.644) 9.216 14.001 ( -6.405 6.596 -0.644) 9.216 14.216 ( 9.498 -9.098 11.445) 17.435 14.216 ( 9.498 9.098 11.445) 17.435 14.670 ( 2.573 -5.547 2.031) 6.444 14.670 ( 2.573 5.547 2.031) 6.444 15.157 ( 1.364 -0.385 -2.316) 2.715 15.157 ( 1.364 0.385 -2.316) 2.715 15.515 ( -2.989 -3.766 0.174) 4.811 15.515 ( -2.989 3.766 0.174) 4.811 15.723 ( 2.032 -6.904 1.496) 7.350 15.723 ( 2.032 6.904 1.496) 7.350 16.113 ( 1.230 -1.822 3.296) 3.961 16.113 ( 1.230 1.822 3.296) 3.961 17.223 ( 5.406 -6.528 -3.157) 9.045 17.223 ( 5.406 6.528 -3.157) 9.045 17.441 ( 0.084 -9.162 1.390) 9.267 17.441 ( 0.084 9.162 1.390) 9.267 20.730 ( 2.294 -1.819 -2.897) 4.118 20.730 ( 2.294 1.819 -2.897) 4.118 21.102 ( 7.863 -4.432 3.734) 9.768 21.102 ( 7.863 4.432 3.734) 9.768 23.731 ( 0.540 -0.645 1.337) 1.580 23.731 ( 0.540 0.645 1.337) 1.580 23.783 ( 2.090 -0.420 -0.139) 2.136 23.783 ( 2.090 0.420 -0.139) 2.136 24.099 ( -1.944 -4.233 1.144) 4.796 24.099 ( -1.944 4.233 1.144) 4.796 24.227 ( 1.992 -2.693 -2.505) 4.183 24.227 ( 1.992 2.693 -2.505) 4.183 24.685 ( -4.174 -3.836 -5.830) 8.132 24.685 ( -4.174 3.836 -5.830) 8.132 25.004 ( 0.790 -0.946 4.736) 4.894 25.004 ( 0.790 0.946 4.736) 4.894 25.522 ( -1.037 -1.732 -0.060) 2.019 25.522 ( -1.037 1.732 -0.060) 2.019 25.617 ( 0.667 -1.057 -2.471) 2.769 25.617 ( 0.667 1.057 -2.471) 2.769 26.139 ( -0.570 -2.994 2.497) 3.941 26.139 ( -0.570 2.994 2.497) 3.941 26.318 ( 3.565 -2.884 -0.755) 4.647 26.318 ( 3.565 2.884 -0.755) 4.647 27.155 ( 5.964 -2.834 0.185) 6.606 27.155 ( 5.964 2.834 0.185) 6.606 28.089 ( -11.795 -2.644 -0.118) 12.088 28.089 ( -11.795 2.644 -0.118) 12.088 ======================= Grid point 149 (80/84) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -4.016 -2.336 12.048) 12.913 2.502 ( -4.016 2.336 12.048) 12.913 2.644 ( 10.230 -7.710 -9.849) 16.159 2.644 ( 10.230 7.710 -9.849) 16.159 2.833 ( 8.471 -3.387 9.755) 13.356 2.833 ( 8.471 3.387 9.755) 13.356 3.116 ( -0.360 -7.044 -0.361) 7.062 3.116 ( -0.360 7.044 -0.361) 7.062 3.384 ( -1.342 -9.917 1.025) 10.060 3.384 ( -1.342 9.917 1.025) 10.060 3.446 ( 2.560 -4.376 -8.328) 9.750 3.446 ( 2.560 4.376 -8.328) 9.750 3.828 ( -8.295 -7.525 -0.859) 11.233 3.828 ( -8.295 7.525 -0.859) 11.233 4.062 ( -0.489 -6.724 5.856) 8.930 4.062 ( -0.489 6.724 5.856) 8.930 4.324 ( 3.255 -5.691 -3.776) 7.566 4.324 ( 3.255 5.691 -3.776) 7.566 4.459 ( -1.568 -10.452 -0.417) 10.577 4.459 ( -1.568 10.452 -0.417) 10.577 4.740 ( -2.383 -2.752 8.977) 9.687 4.740 ( -2.383 2.752 8.977) 9.687 4.958 ( -3.453 -2.220 9.503) 10.352 4.958 ( -3.453 2.220 9.503) 10.352 5.450 ( -7.330 -6.897 -6.523) 11.994 5.450 ( -7.330 6.897 -6.523) 11.994 5.632 ( -4.631 -3.517 -10.303) 11.831 5.632 ( -4.631 3.517 -10.303) 11.831 5.756 ( -7.466 -12.528 -2.564) 14.808 5.756 ( -7.466 12.528 -2.564) 14.808 5.958 ( -0.424 -4.487 -5.437) 7.062 5.958 ( -0.424 4.487 -5.437) 7.062 6.144 ( -3.195 -4.798 5.308) 7.836 6.144 ( -3.195 4.798 5.308) 7.836 6.419 ( -1.858 -2.240 -5.504) 6.226 6.419 ( -1.858 2.240 -5.504) 6.226 6.650 ( 7.170 -3.410 0.763) 7.976 6.650 ( 7.170 3.410 0.763) 7.976 6.866 ( 0.289 -1.168 -1.040) 1.590 6.866 ( 0.289 1.168 -1.040) 1.590 7.101 ( 8.743 -5.011 0.277) 10.082 7.101 ( 8.743 5.011 0.277) 10.082 7.379 ( 3.502 -3.802 1.381) 5.350 7.379 ( 3.502 3.802 1.381) 5.350 7.508 ( 1.476 -5.227 1.005) 5.524 7.508 ( 1.476 5.227 1.005) 5.524 7.684 ( 0.199 -7.682 3.175) 8.315 7.684 ( 0.199 7.682 3.175) 8.315 8.027 ( -6.967 -7.231 -6.395) 11.905 8.027 ( -6.967 7.231 -6.395) 11.905 8.270 ( 6.783 -7.820 -7.551) 12.814 8.270 ( 6.783 7.820 -7.551) 12.814 8.477 ( -3.770 -4.328 3.689) 6.823 8.477 ( -3.770 4.328 3.689) 6.823 8.979 ( -1.109 -5.811 6.584) 8.852 8.979 ( -1.109 5.811 6.584) 8.852 9.067 ( 3.592 -7.014 3.278) 8.535 9.067 ( 3.592 7.014 3.278) 8.535 9.250 ( -2.088 -1.304 -2.668) 3.630 9.250 ( -2.088 1.304 -2.668) 3.630 9.702 ( -1.460 -2.012 6.470) 6.931 9.702 ( -1.460 2.012 6.470) 6.931 10.025 ( 7.550 -7.995 12.901) 16.952 10.025 ( 7.550 7.995 12.901) 16.952 10.215 ( -4.816 -6.285 -5.802) 9.816 10.215 ( -4.816 6.285 -5.802) 9.816 10.618 ( 2.346 -2.553 0.919) 3.587 10.618 ( 2.346 2.553 0.919) 3.587 10.743 ( 5.873 -5.347 2.995) 8.488 10.743 ( 5.873 5.347 2.995) 8.488 10.945 ( 6.639 -8.108 1.185) 10.546 10.945 ( 6.639 8.108 1.185) 10.546 11.380 ( -2.725 -0.776 -2.872) 4.035 11.380 ( -2.725 0.776 -2.872) 4.035 11.682 ( -4.615 -3.502 -9.382) 11.026 11.682 ( -4.615 3.502 -9.382) 11.026 12.148 ( -0.566 -7.173 5.763) 9.218 12.148 ( -0.566 7.173 5.763) 9.218 12.520 ( 5.135 -8.824 -1.874) 10.380 12.520 ( 5.135 8.824 -1.874) 10.380 12.986 ( -5.713 -2.449 -4.650) 7.763 12.986 ( -5.713 2.449 -4.650) 7.763 13.200 ( -9.237 -11.371 -15.217) 21.123 13.200 ( -9.237 11.371 -15.217) 21.123 13.723 ( 1.730 -3.714 0.856) 4.186 13.723 ( 1.730 3.714 0.856) 4.186 13.919 ( -2.955 -1.265 1.437) 3.521 13.919 ( -2.955 1.265 1.437) 3.521 14.440 ( 7.337 -5.943 9.374) 13.305 14.440 ( 7.337 5.943 9.374) 13.305 14.747 ( 4.176 -7.476 2.614) 8.954 14.747 ( 4.176 7.476 2.614) 8.954 15.160 ( 0.122 -1.634 -2.035) 2.613 15.160 ( 0.122 1.634 -2.035) 2.613 15.441 ( -4.525 -2.206 0.186) 5.038 15.441 ( -4.525 2.206 0.186) 5.038 15.758 ( 1.546 -7.215 1.752) 7.584 15.758 ( 1.546 7.215 1.752) 7.584 16.132 ( -0.880 -1.727 1.493) 2.447 16.132 ( -0.880 1.727 1.493) 2.447 17.316 ( 3.554 -8.624 2.130) 9.568 17.316 ( 3.554 8.624 2.130) 9.568 17.451 ( 2.229 -10.762 -2.870) 11.359 17.451 ( 2.229 10.762 -2.870) 11.359 20.743 ( 1.067 -1.604 -3.103) 3.653 20.743 ( 1.067 1.604 -3.103) 3.653 21.264 ( 6.566 -4.528 4.418) 9.118 21.264 ( 6.566 4.528 4.418) 9.118 23.743 ( -0.060 -0.498 0.994) 1.114 23.743 ( -0.060 0.498 0.994) 1.114 23.830 ( 2.395 -1.890 2.520) 3.957 23.830 ( 2.395 1.890 2.520) 3.957 24.063 ( -2.311 -3.784 -0.119) 4.435 24.063 ( -2.311 3.784 -0.119) 4.435 24.234 ( 0.847 -3.456 -4.957) 6.102 24.234 ( 0.847 3.456 -4.957) 6.102 24.590 ( -2.713 -2.643 -4.455) 5.848 24.590 ( -2.713 2.643 -4.455) 5.848 25.030 ( -0.383 -1.130 3.936) 4.113 25.030 ( -0.383 1.130 3.936) 4.113 25.516 ( 0.140 -1.126 0.582) 1.275 25.516 ( 0.140 1.126 0.582) 1.275 25.615 ( 0.636 -0.486 -2.546) 2.669 25.615 ( 0.636 0.486 -2.546) 2.669 26.135 ( -0.890 -2.043 1.409) 2.636 26.135 ( -0.890 2.043 1.409) 2.636 26.371 ( 2.314 -2.208 -0.418) 3.226 26.371 ( 2.314 2.208 -0.418) 3.226 27.284 ( 7.617 -3.894 0.579) 8.574 27.284 ( 7.617 3.894 0.579) 8.574 27.872 ( -11.235 -3.506 -0.191) 11.770 27.872 ( -11.235 3.506 -0.191) 11.770 ======================= Grid point 151 (81/84) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -5.447 -5.218 11.715) 13.934 2.488 ( -5.447 5.218 11.715) 13.934 2.697 ( 0.363 -3.922 -3.445) 5.233 2.697 ( 0.363 3.922 -3.445) 5.233 3.003 ( 3.935 -4.038 5.380) 7.793 3.003 ( 3.935 4.038 5.380) 7.793 3.126 ( -0.916 -4.811 -1.709) 5.187 3.126 ( -0.916 4.811 -1.709) 5.187 3.317 ( -3.504 -9.534 -1.468) 10.263 3.317 ( -3.504 9.534 -1.468) 10.263 3.461 ( 6.284 -4.115 -7.796) 10.826 3.461 ( 6.284 4.115 -7.796) 10.826 3.734 ( -1.345 -1.012 0.822) 1.873 3.734 ( -1.345 1.012 0.822) 1.873 4.078 ( -1.906 -6.334 7.359) 9.895 4.078 ( -1.906 6.334 7.359) 9.895 4.302 ( -3.248 -2.555 -2.317) 4.737 4.302 ( -3.248 2.555 -2.317) 4.737 4.466 ( 0.865 -5.851 -3.312) 6.779 4.466 ( 0.865 5.851 -3.312) 6.779 4.838 ( 6.206 -2.297 13.617) 15.140 4.838 ( 6.206 2.297 13.617) 15.140 5.052 ( 5.293 -3.306 9.518) 11.381 5.052 ( 5.293 3.306 9.518) 11.381 5.251 ( -6.629 -6.839 -8.508) 12.771 5.251 ( -6.629 6.839 -8.508) 12.771 5.438 ( -6.224 -3.095 -13.337) 15.040 5.438 ( -6.224 3.095 -13.337) 15.040 5.697 ( -0.562 -5.774 0.927) 5.875 5.697 ( -0.562 5.774 0.927) 5.875 5.924 ( 0.670 -1.983 -3.789) 4.329 5.924 ( 0.670 1.983 -3.789) 4.329 6.153 ( 1.116 -3.721 2.674) 4.716 6.153 ( 1.116 3.721 2.674) 4.716 6.368 ( -1.039 -1.942 -2.794) 3.558 6.368 ( -1.039 1.942 -2.794) 3.558 6.694 ( -1.228 -1.743 0.696) 2.243 6.694 ( -1.228 1.743 0.696) 2.243 6.884 ( 1.484 -1.150 -0.100) 1.880 6.884 ( 1.484 1.150 -0.100) 1.880 7.224 ( 0.099 -1.705 -0.892) 1.927 7.224 ( 0.099 1.705 -0.892) 1.927 7.347 ( -2.084 -2.337 -1.674) 3.551 7.347 ( -2.084 2.337 -1.674) 3.551 7.630 ( 7.282 -6.015 4.155) 10.318 7.630 ( 7.282 6.015 4.155) 10.318 7.723 ( -0.547 -5.145 1.726) 5.454 7.723 ( -0.547 5.145 1.726) 5.454 7.900 ( -1.942 -4.551 -0.075) 4.949 7.900 ( -1.942 4.551 -0.075) 4.949 8.221 ( -5.617 -8.915 -10.153) 14.633 8.221 ( -5.617 8.915 -10.153) 14.633 8.489 ( 3.804 -1.665 0.877) 4.244 8.489 ( 3.804 1.665 0.877) 4.244 9.003 ( -0.887 -2.869 7.338) 7.929 9.003 ( -0.887 2.869 7.338) 7.929 9.149 ( 3.444 -7.221 -1.174) 8.086 9.149 ( 3.444 7.221 -1.174) 8.086 9.223 ( 1.109 -4.796 -0.977) 5.019 9.223 ( 1.109 4.796 -0.977) 5.019 9.704 ( 0.331 -2.017 3.543) 4.091 9.704 ( 0.331 2.017 3.543) 4.091 10.090 ( -3.135 -5.200 -5.474) 8.175 10.090 ( -3.135 5.200 -5.474) 8.175 10.239 ( 4.368 -1.877 11.545) 12.486 10.239 ( 4.368 1.877 11.545) 12.486 10.615 ( -1.117 -2.746 -2.087) 3.626 10.615 ( -1.117 2.746 -2.087) 3.626 10.892 ( 5.966 -8.641 3.816) 11.172 10.892 ( 5.966 8.641 3.816) 11.172 11.060 ( 2.912 -4.420 5.149) 7.385 11.060 ( 2.912 4.420 5.149) 7.385 11.332 ( -0.475 -0.678 -0.193) 0.850 11.332 ( -0.475 0.678 -0.193) 0.850 11.488 ( -8.225 -4.051 -13.572) 16.378 11.488 ( -8.225 4.051 -13.572) 16.378 12.167 ( -0.838 -2.427 3.819) 4.602 12.167 ( -0.838 2.427 3.819) 4.602 12.627 ( 4.987 -5.422 5.134) 8.980 12.627 ( 4.987 5.422 5.134) 8.980 12.871 ( -4.735 -3.308 -6.798) 8.920 12.871 ( -4.735 3.308 -6.798) 8.920 12.967 ( -5.368 -8.683 -9.180) 13.729 12.967 ( -5.368 8.683 -9.180) 13.729 13.758 ( 0.708 -2.949 0.976) 3.186 13.758 ( 0.708 2.949 0.976) 3.186 13.904 ( 0.891 -1.743 -0.098) 1.960 13.904 ( 0.891 1.743 -0.098) 1.960 14.564 ( 1.772 -2.014 5.402) 6.031 14.564 ( 1.772 2.014 5.402) 6.031 14.817 ( 1.173 -5.377 0.918) 5.580 14.817 ( 1.173 5.377 0.918) 5.580 15.141 ( -1.443 -0.663 -0.013) 1.588 15.141 ( -1.443 0.663 -0.013) 1.588 15.392 ( 0.485 -1.800 -0.761) 2.014 15.392 ( 0.485 1.800 -0.761) 2.014 15.793 ( 0.466 -3.618 1.518) 3.951 15.793 ( 0.466 3.618 1.518) 3.951 16.123 ( 0.594 -1.970 -0.384) 2.094 16.123 ( 0.594 1.970 -0.384) 2.094 17.305 ( -7.659 -9.899 8.673) 15.227 17.305 ( -7.659 9.899 8.673) 15.227 17.520 ( 7.729 -11.624 -8.818) 16.511 17.520 ( 7.729 11.624 -8.818) 16.511 20.736 ( -0.111 -1.791 -2.099) 2.762 20.736 ( -0.111 1.791 -2.099) 2.762 21.361 ( 1.478 -5.235 2.166) 5.855 21.361 ( 1.478 5.235 2.166) 5.855 23.740 ( -0.992 -0.681 1.472) 1.902 23.740 ( -0.992 0.681 1.472) 1.902 23.895 ( 2.116 -3.292 5.033) 6.376 23.895 ( 2.116 3.292 5.033) 6.376 24.013 ( -2.122 -4.067 -2.863) 5.407 24.013 ( -2.122 4.067 -2.863) 5.407 24.203 ( -0.764 -3.270 -4.553) 5.658 24.203 ( -0.764 3.270 -4.553) 5.658 24.543 ( -0.805 -1.330 -1.553) 2.197 24.543 ( -0.805 1.330 -1.553) 2.197 25.046 ( 0.455 -0.589 2.337) 2.452 25.046 ( 0.455 0.589 2.337) 2.452 25.526 ( 0.293 -1.181 0.796) 1.454 25.526 ( 0.293 1.181 0.796) 1.454 25.607 ( -0.173 -0.626 -2.248) 2.340 25.607 ( -0.173 0.626 -2.248) 2.340 26.125 ( -1.277 -1.474 1.948) 2.756 26.125 ( -1.277 1.474 1.948) 2.756 26.395 ( 0.831 -0.833 -1.036) 1.567 26.395 ( 0.831 0.833 -1.036) 1.567 27.387 ( 1.026 -2.087 -0.101) 2.328 27.387 ( 1.026 2.087 -0.101) 2.328 27.741 ( -0.537 -0.895 0.085) 1.047 27.741 ( -0.537 0.895 0.085) 1.047 ======================= Grid point 153 (82/84) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -11.998 -9.343 11.289) 18.939 2.391 ( -11.998 9.343 11.289) 18.939 2.723 ( 3.266 -3.208 -2.771) 5.352 2.723 ( 3.266 3.208 -2.771) 5.352 2.905 ( -11.418 -11.104 0.794) 15.947 2.905 ( -11.418 11.104 0.794) 15.947 3.091 ( -1.871 -3.366 2.300) 4.486 3.091 ( -1.871 3.367 2.300) 4.486 3.327 ( 1.967 -3.292 -2.067) 4.357 3.327 ( 1.967 3.292 -2.067) 4.357 3.537 ( 4.177 -1.673 -9.443) 10.461 3.537 ( 4.177 1.673 -9.443) 10.460 3.770 ( 3.676 -8.647 4.373) 10.364 3.770 ( 3.676 8.647 4.373) 10.364 4.079 ( -2.862 -2.945 6.066) 7.326 4.079 ( -2.862 2.945 6.066) 7.326 4.244 ( -1.483 -1.228 -0.185) 1.934 4.244 ( -1.483 1.228 -0.185) 1.934 4.458 ( 2.550 -4.334 1.129) 5.154 4.458 ( 2.550 4.334 1.129) 5.154 4.960 ( -1.865 -6.516 -7.701) 10.259 4.960 ( -1.865 6.516 -7.701) 10.259 5.140 ( 5.468 -8.217 2.373) 10.151 5.140 ( 5.468 8.217 2.373) 10.151 5.210 ( 3.888 -1.457 1.282) 4.346 5.210 ( 3.888 1.457 1.282) 4.346 5.452 ( 10.764 -2.682 5.511) 12.386 5.452 ( 10.764 2.682 5.510) 12.386 5.685 ( -0.789 -0.473 2.236) 2.418 5.685 ( -0.789 0.473 2.236) 2.418 5.964 ( 4.579 -4.865 -3.580) 7.580 5.964 ( 4.579 4.865 -3.580) 7.580 6.202 ( 3.381 -2.184 -0.053) 4.026 6.202 ( 3.381 2.184 -0.053) 4.026 6.355 ( 0.680 -2.240 0.513) 2.397 6.355 ( 0.680 2.240 0.513) 2.397 6.651 ( -4.651 -2.092 0.838) 5.168 6.651 ( -4.651 2.092 0.838) 5.168 6.882 ( -1.166 -4.500 -1.079) 4.773 6.882 ( -1.166 4.500 -1.079) 4.773 7.083 ( -10.541 -3.672 -0.274) 11.166 7.083 ( -10.541 3.672 -0.274) 11.166 7.346 ( -0.434 -2.888 1.432) 3.252 7.346 ( -0.434 2.888 1.432) 3.252 7.638 ( -4.882 -5.253 -7.451) 10.341 7.638 ( -4.882 5.253 -7.451) 10.341 7.726 ( 0.014 -4.120 2.070) 4.611 7.726 ( 0.014 4.120 2.070) 4.611 7.945 ( 2.532 -2.767 -0.270) 3.760 7.945 ( 2.532 2.767 -0.270) 3.760 8.109 ( -1.018 -2.031 3.508) 4.179 8.109 ( -1.018 2.031 3.508) 4.179 8.570 ( 5.608 -3.083 -3.206) 7.158 8.570 ( 5.608 3.083 -3.206) 7.158 9.001 ( -3.680 -3.311 3.572) 6.104 9.001 ( -3.680 3.311 3.572) 6.104 9.174 ( 1.411 -6.982 -3.032) 7.742 9.174 ( 1.411 6.982 -3.032) 7.742 9.277 ( 5.706 -8.601 -4.274) 11.171 9.277 ( 5.706 8.601 -4.274) 11.171 9.756 ( 3.395 -2.852 0.048) 4.434 9.756 ( 3.395 2.852 0.048) 4.434 10.048 ( -0.349 -2.435 2.672) 3.632 10.048 ( -0.349 2.435 2.672) 3.632 10.301 ( -1.382 -4.761 -0.025) 4.958 10.301 ( -1.382 4.761 -0.025) 4.958 10.569 ( -3.207 -3.015 -0.072) 4.403 10.569 ( -3.207 3.015 -0.072) 4.403 10.896 ( -3.182 -2.946 -6.854) 8.111 10.896 ( -3.182 2.946 -6.854) 8.111 11.042 ( -9.289 -5.501 -5.581) 12.152 11.042 ( -9.289 5.501 -5.581) 12.152 11.315 ( 2.230 -1.663 2.187) 3.539 11.315 ( 2.230 1.663 2.187) 3.539 11.444 ( 4.730 -3.590 7.226) 9.353 11.444 ( 4.730 3.590 7.226) 9.353 12.158 ( -2.249 -6.047 3.820) 7.497 12.158 ( -2.249 6.047 3.820) 7.497 12.613 ( -5.830 -7.963 -5.899) 11.498 12.613 ( -5.830 7.963 -5.899) 11.498 12.874 ( 5.511 -1.179 3.763) 6.777 12.874 ( 5.511 1.179 3.763) 6.777 12.936 ( 3.250 -5.030 5.187) 7.923 12.936 ( 3.250 5.030 5.187) 7.923 13.751 ( -1.332 -2.922 -0.696) 3.286 13.751 ( -1.332 2.922 -0.696) 3.286 13.944 ( 3.512 -3.837 -0.936) 5.285 13.944 ( 3.512 3.837 -0.936) 5.285 14.561 ( -3.879 -0.809 -0.445) 3.988 14.561 ( -3.879 0.809 -0.445) 3.988 14.794 ( -2.216 -2.278 -1.773) 3.639 14.794 ( -2.216 2.278 -1.773) 3.639 15.111 ( -2.154 -1.329 1.676) 3.035 15.111 ( -2.154 1.329 1.676) 3.035 15.456 ( 5.834 -4.428 -0.735) 7.361 15.456 ( 5.834 4.428 -0.735) 7.361 15.779 ( -1.866 -3.012 -0.081) 3.544 15.779 ( -1.866 3.012 -0.081) 3.544 16.160 ( 2.908 -4.355 -0.730) 5.287 16.160 ( 2.908 4.355 -0.730) 5.287 17.183 ( -10.003 -10.481 7.762) 16.436 17.183 ( -10.003 10.481 7.762) 16.436 17.581 ( 3.956 -10.107 -8.173) 13.587 17.581 ( 3.956 10.107 -8.173) 13.587 20.718 ( -0.829 -2.133 -0.765) 2.413 20.718 ( -0.829 2.133 -0.765) 2.413 21.332 ( -4.894 -5.753 -1.463) 7.694 21.332 ( -4.894 5.753 -1.463) 7.694 23.725 ( -1.655 -1.163 1.963) 2.819 23.725 ( -1.655 1.163 1.963) 2.819 23.914 ( -2.578 -3.218 -1.417) 4.360 23.914 ( -2.578 3.218 -1.417) 4.360 24.004 ( 2.528 -2.513 3.222) 4.805 24.004 ( 2.528 2.513 3.222) 4.805 24.171 ( -0.823 -2.750 -1.212) 3.116 24.171 ( -0.823 2.750 -1.212) 3.116 24.536 ( 0.471 -1.450 0.540) 1.617 24.536 ( 0.471 1.450 0.540) 1.617 25.072 ( 1.235 -2.057 0.395) 2.431 25.072 ( 1.235 2.057 0.395) 2.431 25.529 ( -0.274 -0.748 -0.089) 0.801 25.529 ( -0.274 0.748 -0.089) 0.801 25.586 ( -0.855 -0.179 -0.678) 1.105 25.586 ( -0.855 0.179 -0.678) 1.105 26.111 ( -1.935 -1.402 2.987) 3.825 26.111 ( -1.935 1.402 2.987) 3.825 26.392 ( -0.148 -2.078 -1.818) 2.765 26.392 ( -0.148 2.078 -1.818) 2.765 27.309 ( -6.690 -8.511 -1.332) 10.907 27.309 ( -6.690 8.511 -1.332) 10.907 27.865 ( 11.365 -5.506 0.402) 12.635 27.865 ( 11.365 5.506 0.402) 12.635 ======================= Grid point 155 (83/84) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -13.680 -12.236 10.321) 21.057 2.215 ( -13.680 12.236 10.321) 21.057 2.638 ( -7.109 -9.757 0.234) 12.075 2.638 ( -7.109 9.757 0.234) 12.075 2.887 ( 5.451 -6.120 -1.880) 8.408 2.887 ( 5.451 6.120 -1.880) 8.408 3.038 ( -4.598 -8.073 -0.800) 9.325 3.038 ( -4.598 8.073 -0.800) 9.325 3.308 ( -3.414 -5.811 0.882) 6.797 3.308 ( -3.414 5.811 0.882) 6.797 3.462 ( -5.971 -3.250 -4.850) 8.351 3.462 ( -5.971 3.250 -4.850) 8.351 3.861 ( 1.452 -7.951 3.870) 8.961 3.861 ( 1.452 7.951 3.870) 8.961 4.083 ( 2.953 -4.244 4.966) 7.169 4.083 ( 2.953 4.244 4.966) 7.169 4.302 ( 6.878 -6.832 0.772) 9.725 4.302 ( 6.878 6.832 0.772) 9.725 4.577 ( 7.251 -4.880 0.652) 8.765 4.577 ( 7.251 4.880 0.652) 8.765 4.843 ( -3.382 -7.012 -6.557) 10.178 4.843 ( -3.382 7.012 -6.557) 10.178 5.180 ( 5.933 -6.691 -5.679) 10.593 5.180 ( 5.933 6.691 -5.679) 10.593 5.449 ( 9.926 -0.506 10.856) 14.719 5.449 ( 9.926 0.506 10.856) 14.719 5.620 ( 3.578 -1.478 -0.756) 3.944 5.620 ( 3.578 1.478 -0.756) 3.944 5.806 ( 10.442 -6.546 11.890) 17.124 5.806 ( 10.442 6.546 11.890) 17.124 5.969 ( -1.685 -3.409 -7.025) 7.988 5.969 ( -1.685 3.409 -7.025) 7.988 6.256 ( 0.313 -3.126 0.147) 3.145 6.256 ( 0.313 3.126 0.147) 3.145 6.405 ( 3.931 -6.191 1.157) 7.424 6.405 ( 3.931 6.191 1.157) 7.424 6.524 ( -6.575 -2.111 -2.090) 7.214 6.524 ( -6.575 2.111 -2.090) 7.214 6.824 ( -4.894 -6.468 -0.303) 8.116 6.824 ( -4.894 6.468 -0.303) 8.116 6.960 ( -2.440 -4.743 2.373) 5.838 6.960 ( -2.440 4.743 2.373) 5.838 7.322 ( -2.887 -4.154 1.361) 5.239 7.322 ( -2.887 4.154 1.361) 5.239 7.508 ( -3.305 -3.506 -5.102) 7.017 7.508 ( -3.305 3.506 -5.102) 7.017 7.733 ( 0.844 -2.651 1.482) 3.152 7.733 ( 0.844 2.651 1.482) 3.152 7.936 ( -3.374 -6.385 1.578) 7.392 7.936 ( -3.374 6.385 1.578) 7.392 8.174 ( 2.930 -4.757 3.511) 6.599 8.174 ( 2.930 4.757 3.511) 6.599 8.648 ( 4.928 -3.335 -6.348) 8.701 8.648 ( 4.928 3.335 -6.348) 8.701 8.914 ( -6.266 -6.034 2.910) 9.173 8.914 ( -6.266 6.034 2.910) 9.173 9.188 ( 1.408 -7.397 -1.556) 7.689 9.188 ( 1.408 7.397 -1.556) 7.689 9.340 ( 4.885 -8.553 -11.103) 14.842 9.340 ( 4.885 8.553 -11.103) 14.842 9.767 ( -3.324 -2.368 -4.484) 6.063 9.767 ( -3.324 2.368 -4.484) 6.063 10.078 ( 1.397 -7.611 0.659) 7.766 10.078 ( 1.397 7.611 0.659) 7.766 10.242 ( -0.465 -6.157 -2.576) 6.691 10.242 ( -0.465 6.157 -2.576) 6.691 10.503 ( -5.016 -2.881 2.164) 6.176 10.503 ( -5.016 2.881 2.164) 6.176 10.742 ( -11.475 -4.741 -6.488) 14.009 10.742 ( -11.475 4.741 -6.488) 14.009 10.850 ( -1.859 -6.805 -4.494) 8.364 10.850 ( -1.859 6.805 -4.494) 8.364 11.410 ( 4.384 -1.087 1.444) 4.742 11.410 ( 4.384 1.087 1.444) 4.742 11.571 ( 2.618 -6.673 10.215) 12.479 11.571 ( 2.618 6.673 10.215) 12.479 12.136 ( -3.159 -10.628 5.651) 12.444 12.136 ( -3.159 10.628 5.651) 12.444 12.503 ( -1.322 -5.267 -7.172) 8.996 12.503 ( -1.322 5.267 -7.172) 8.996 12.960 ( 3.103 -0.461 7.843) 8.447 12.960 ( 3.103 0.461 7.843) 8.447 13.135 ( 8.771 -8.533 13.702) 18.371 13.135 ( 8.771 8.533 13.702) 18.371 13.709 ( -2.514 -4.728 -1.482) 5.556 13.709 ( -2.514 4.728 -1.482) 5.556 14.008 ( 3.431 -5.299 -0.119) 6.314 14.008 ( 3.431 5.299 -0.119) 6.314 14.442 ( -5.371 -4.616 -7.258) 10.141 14.442 ( -5.371 4.616 -7.258) 10.141 14.744 ( -1.542 -4.265 -4.180) 6.168 14.744 ( -1.542 4.265 -4.180) 6.168 15.089 ( -1.600 -1.239 2.963) 3.588 15.089 ( -1.600 1.239 2.963) 3.588 15.544 ( 3.677 -2.674 -1.560) 4.807 15.544 ( 3.677 2.674 -1.560) 4.807 15.743 ( -2.211 -4.889 -0.488) 5.388 15.743 ( -2.211 4.889 -0.488) 5.388 16.175 ( -1.038 -1.404 -1.617) 2.379 16.175 ( -1.038 1.404 -1.617) 2.379 17.077 ( -5.205 -10.436 6.808) 13.504 17.077 ( -5.205 10.436 6.808) 13.504 17.569 ( -0.142 -6.579 -7.226) 9.774 17.569 ( -0.142 6.579 -7.226) 9.774 20.701 ( -0.802 -2.486 -0.044) 2.612 20.701 ( -0.802 2.486 -0.044) 2.612 21.184 ( -8.979 -4.990 -3.577) 10.877 21.184 ( -8.979 4.990 -3.577) 10.877 23.706 ( -1.653 -1.371 2.141) 3.032 23.706 ( -1.653 1.371 2.141) 3.032 23.846 ( -2.510 -3.482 -3.810) 5.739 23.846 ( -2.510 3.482 -3.810) 5.739 24.077 ( 1.803 -3.891 5.224) 6.758 24.077 ( 1.803 3.891 5.224) 6.758 24.160 ( -0.173 -2.689 0.622) 2.765 24.160 ( -0.173 2.689 0.622) 2.765 24.575 ( 2.827 -2.555 3.413) 5.115 24.575 ( 2.827 2.555 3.413) 5.115 25.078 ( -0.631 -2.479 -1.626) 3.031 25.078 ( -0.631 2.479 -1.626) 3.031 25.523 ( 0.221 -1.200 -0.120) 1.226 25.523 ( 0.221 1.200 -0.120) 1.226 25.577 ( -0.264 -0.770 0.881) 1.199 25.577 ( -0.264 0.770 0.881) 1.199 26.088 ( -2.898 -1.543 4.588) 5.642 26.088 ( -2.898 1.543 4.588) 5.642 26.370 ( -0.604 -4.114 -3.301) 5.309 26.370 ( -0.604 4.114 -3.301) 5.309 27.185 ( -5.480 -9.286 -2.101) 10.985 27.185 ( -5.480 9.286 -2.101) 10.985 28.089 ( 12.276 -4.187 -0.071) 12.971 28.089 ( 12.276 4.187 -0.071) 12.971 ======================= Grid point 157 (84/84) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -8.192 -11.354 8.566) 16.414 2.058 ( -8.192 11.354 8.566) 16.414 2.568 ( -3.793 -11.677 8.013) 14.661 2.568 ( -3.793 11.677 8.013) 14.661 2.883 ( -8.222 -9.171 -4.914) 13.261 2.883 ( -8.222 9.171 -4.914) 13.261 2.969 ( 4.283 -4.577 -8.027) 10.185 2.969 ( 4.283 4.577 -8.027) 10.185 3.212 ( -4.947 -0.897 -2.944) 5.826 3.212 ( -4.947 0.897 -2.944) 5.826 3.433 ( 3.143 -4.362 7.374) 9.126 3.433 ( 3.143 4.362 7.374) 9.126 3.880 ( -0.673 -3.813 2.901) 4.838 3.880 ( -0.673 3.813 2.901) 4.838 4.166 ( 0.013 -10.231 3.343) 10.764 4.166 ( 0.013 10.231 3.343) 10.764 4.446 ( 7.181 -4.317 1.522) 8.516 4.446 ( 7.181 4.317 1.522) 8.516 4.652 ( 3.354 -9.357 -4.243) 10.808 4.652 ( 3.354 9.357 -4.243) 10.808 4.847 ( 3.567 -4.427 4.201) 7.069 4.847 ( 3.567 4.427 4.201) 7.069 5.280 ( 6.901 -2.379 -2.549) 7.732 5.280 ( 6.901 2.379 -2.549) 7.732 5.623 ( 2.752 -4.121 2.527) 5.562 5.623 ( 2.752 4.121 2.527) 5.562 5.656 ( 0.531 -2.115 0.752) 2.307 5.656 ( 0.531 2.115 0.752) 2.307 5.810 ( -4.840 -2.078 -6.467) 8.341 5.810 ( -4.840 2.078 -6.467) 8.341 6.075 ( 4.325 -3.140 4.152) 6.768 6.075 ( 4.325 3.140 4.152) 6.768 6.169 ( -2.938 -6.762 2.111) 7.670 6.169 ( -2.938 6.762 2.111) 7.670 6.456 ( 0.885 -2.596 -2.186) 3.507 6.456 ( 0.885 2.596 -2.186) 3.507 6.514 ( 4.530 -0.345 1.047) 4.662 6.514 ( 4.530 0.345 1.047) 4.662 6.778 ( -0.054 -7.159 2.956) 7.745 6.778 ( -0.054 7.159 2.956) 7.745 6.959 ( -0.207 -4.021 1.326) 4.240 6.959 ( -0.207 4.021 1.326) 4.240 7.287 ( -0.701 -4.755 -0.289) 4.815 7.287 ( -0.701 4.755 -0.289) 4.815 7.488 ( 1.662 -5.627 1.471) 6.049 7.488 ( 1.662 5.627 1.471) 6.049 7.760 ( 1.236 -1.241 -2.937) 3.419 7.760 ( 1.236 1.241 -2.937) 3.419 7.870 ( -5.358 -7.370 7.755) 11.965 7.870 ( -5.358 7.370 7.755) 11.965 8.228 ( 1.899 -3.764 1.659) 4.531 8.228 ( 1.899 3.764 1.659) 4.531 8.600 ( -4.790 -5.017 -10.049) 12.211 8.600 ( -4.790 5.017 -10.049) 12.211 8.899 ( 1.822 -5.394 4.218) 7.086 8.899 ( 1.822 5.394 4.218) 7.086 9.195 ( -0.718 -7.256 1.497) 7.443 9.195 ( -0.718 7.256 1.497) 7.443 9.291 ( -2.104 -9.897 -14.553) 17.725 9.291 ( -2.104 9.897 -14.553) 17.725 9.602 ( -6.586 -4.787 -9.480) 12.496 9.602 ( -6.586 4.787 -9.480) 12.496 10.125 ( 3.204 -2.928 0.163) 4.344 10.125 ( 3.204 2.928 0.163) 4.344 10.239 ( -1.593 -2.090 -3.944) 4.739 10.239 ( -1.593 2.090 -3.944) 4.739 10.393 ( -6.086 -2.715 -2.119) 6.992 10.393 ( -6.086 2.715 -2.119) 6.992 10.581 ( -3.106 -1.687 4.246) 5.525 10.581 ( -3.106 1.687 4.246) 5.525 10.866 ( 4.087 -4.774 -0.645) 6.318 10.866 ( 4.087 4.774 -0.645) 6.318 11.472 ( 2.818 -1.441 -0.586) 3.219 11.472 ( 2.818 1.441 -0.586) 3.219 11.615 ( -3.277 -5.355 3.285) 7.086 11.615 ( -3.277 5.355 3.285) 7.086 12.136 ( -0.233 -5.976 8.962) 10.774 12.136 ( -0.233 5.976 8.962) 10.774 12.471 ( 1.172 -3.124 -6.173) 7.017 12.471 ( 1.172 3.124 -6.173) 7.017 13.083 ( 3.773 -2.184 10.841) 11.685 13.083 ( 3.773 2.184 10.841) 11.685 13.363 ( 7.456 -7.709 13.732) 17.424 13.363 ( 7.456 7.709 13.732) 17.424 13.647 ( -3.972 -6.683 0.972) 7.834 13.647 ( -3.972 6.683 0.972) 7.834 14.030 ( -1.912 -6.154 -0.192) 6.447 14.030 ( -1.912 6.154 -0.192) 6.447 14.344 ( 1.262 -5.270 -11.605) 12.808 14.344 ( 1.262 5.270 -11.605) 12.808 14.693 ( -0.979 -3.440 -4.973) 6.126 14.693 ( -0.979 3.440 -4.973) 6.126 15.098 ( 1.130 -1.223 3.117) 3.533 15.098 ( 1.130 1.223 3.117) 3.533 15.545 ( -3.515 -3.385 -2.590) 5.525 15.545 ( -3.515 3.385 -2.590) 5.525 15.680 ( -2.896 -6.305 -1.104) 7.026 15.680 ( -2.896 6.305 -1.104) 7.026 16.131 ( -1.933 -2.909 -0.802) 3.583 16.131 ( -1.933 2.909 -0.802) 3.583 17.079 ( 0.946 -8.242 5.282) 9.834 17.079 ( 0.946 8.242 5.282) 9.834 17.509 ( -1.965 -1.297 -5.644) 6.115 17.509 ( -1.965 1.297 -5.644) 6.115 20.687 ( -0.617 -2.635 -0.626) 2.778 20.687 ( -0.617 2.635 -0.626) 2.778 21.010 ( -7.030 -3.406 -2.626) 8.241 21.010 ( -7.030 3.406 -2.626) 8.241 23.694 ( -1.020 -1.454 2.151) 2.789 23.694 ( -1.020 1.454 2.151) 2.789 23.790 ( -1.366 -2.789 -3.391) 4.599 23.790 ( -1.366 2.789 -3.391) 4.599 24.115 ( -0.192 -3.480 3.727) 5.103 24.115 ( -0.192 3.480 3.727) 5.103 24.170 ( 0.682 -3.995 0.570) 4.093 24.170 ( 0.682 3.995 0.570) 4.093 24.675 ( 4.863 -3.986 5.822) 8.569 24.675 ( 4.863 3.986 5.822) 8.569 25.027 ( -3.271 -1.265 -2.761) 4.464 25.027 ( -3.271 1.265 -2.761) 4.464 25.547 ( 2.028 -1.877 0.449) 2.799 25.547 ( 2.028 1.877 0.449) 2.799 25.581 ( -0.066 -1.643 1.102) 1.979 25.581 ( -0.066 1.643 1.102) 1.979 26.066 ( -2.853 -2.196 6.967) 7.842 26.066 ( -2.853 2.196 6.967) 7.842 26.333 ( -0.740 -5.296 -5.507) 7.675 26.333 ( -0.740 5.296 -5.507) 7.675 27.096 ( -2.857 -7.871 -2.343) 8.695 27.096 ( -2.857 7.871 -2.343) 8.695 28.275 ( 7.874 -2.091 -0.669) 8.175 28.275 ( 7.874 2.091 -0.669) 8.175 =================== 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 3/31680 10.0 3497.223 3421.210 3909.703 0.000 1512.191 0.000 3/31680 20.0 254.822 300.502 377.378 0.000 52.939 0.000 3/31680 30.0 76.072 91.475 122.624 0.000 10.891 0.000 3/31680 40.0 36.494 43.201 59.915 0.000 4.393 0.000 3/31680 50.0 22.205 25.642 36.332 0.000 2.455 0.000 3/31680 60.0 15.490 17.451 25.087 0.000 1.642 0.000 3/31680 70.0 11.755 12.967 18.820 0.000 1.222 0.000 3/31680 80.0 9.426 10.224 14.931 0.000 0.973 0.000 3/31680 90.0 7.853 8.407 12.322 0.000 0.809 0.000 3/31680 100.0 6.725 7.128 10.468 0.000 0.695 0.000 3/31680 110.0 5.881 6.186 9.091 0.000 0.610 0.000 3/31680 120.0 5.226 5.465 8.032 0.000 0.544 0.000 3/31680 130.0 4.704 4.897 7.195 0.000 0.493 0.000 3/31680 140.0 4.279 4.439 6.517 0.000 0.450 0.000 3/31680 150.0 3.926 4.061 5.958 0.000 0.415 0.000 3/31680 160.0 3.629 3.745 5.490 0.000 0.385 0.000 3/31680 170.0 3.375 3.477 5.092 0.000 0.359 0.000 3/31680 180.0 3.155 3.246 4.750 0.000 0.337 0.000 3/31680 190.0 2.963 3.045 4.453 0.000 0.317 0.000 3/31680 200.0 2.795 2.869 4.192 0.000 0.299 0.000 3/31680 210.0 2.645 2.713 3.962 0.000 0.284 0.000 3/31680 220.0 2.511 2.574 3.756 0.000 0.270 0.000 3/31680 230.0 2.391 2.450 3.572 0.000 0.257 0.000 3/31680 240.0 2.282 2.337 3.406 0.000 0.245 0.000 3/31680 250.0 2.183 2.235 3.256 0.000 0.235 0.000 3/31680 260.0 2.093 2.142 3.119 0.000 0.225 0.000 3/31680 270.0 2.010 2.056 2.993 0.000 0.216 0.000 3/31680 280.0 1.934 1.978 2.878 0.000 0.208 0.000 3/31680 290.0 1.864 1.905 2.772 0.000 0.200 0.000 3/31680 300.0 1.799 1.838 2.673 0.000 0.193 0.000 3/31680 310.0 1.738 1.776 2.582 0.000 0.186 0.000 3/31680 320.0 1.682 1.718 2.497 0.000 0.180 0.000 3/31680 330.0 1.629 1.663 2.418 0.000 0.174 0.000 3/31680 340.0 1.580 1.613 2.344 0.000 0.169 0.000 3/31680 350.0 1.533 1.565 2.274 0.000 0.164 0.000 3/31680 360.0 1.490 1.520 2.208 0.000 0.159 0.000 3/31680 370.0 1.448 1.478 2.147 0.000 0.154 0.000 3/31680 380.0 1.410 1.438 2.088 0.000 0.150 0.000 3/31680 390.0 1.373 1.400 2.033 0.000 0.146 0.000 3/31680 400.0 1.338 1.364 1.981 0.000 0.142 0.000 3/31680 410.0 1.305 1.330 1.932 0.000 0.138 0.000 3/31680 420.0 1.273 1.298 1.885 0.000 0.135 0.000 3/31680 430.0 1.244 1.267 1.840 0.000 0.132 0.000 3/31680 440.0 1.215 1.238 1.798 0.000 0.129 0.000 3/31680 450.0 1.188 1.210 1.757 0.000 0.126 0.000 3/31680 460.0 1.162 1.184 1.718 0.000 0.123 0.000 3/31680 470.0 1.137 1.158 1.681 0.000 0.120 0.000 3/31680 480.0 1.113 1.134 1.646 0.000 0.117 0.000 3/31680 490.0 1.090 1.110 1.612 0.000 0.115 0.000 3/31680 500.0 1.069 1.088 1.579 0.000 0.112 0.000 3/31680 510.0 1.048 1.067 1.548 0.000 0.110 0.000 3/31680 520.0 1.027 1.046 1.518 0.000 0.108 0.000 3/31680 530.0 1.008 1.026 1.489 0.000 0.106 0.000 3/31680 540.0 0.989 1.007 1.461 0.000 0.104 0.000 3/31680 550.0 0.971 0.989 1.435 0.000 0.102 0.000 3/31680 560.0 0.954 0.971 1.409 0.000 0.100 0.000 3/31680 570.0 0.937 0.954 1.384 0.000 0.098 0.000 3/31680 580.0 0.921 0.937 1.360 0.000 0.096 0.000 3/31680 590.0 0.906 0.921 1.337 0.000 0.095 0.000 3/31680 600.0 0.890 0.906 1.314 0.000 0.093 0.000 3/31680 610.0 0.876 0.891 1.293 0.000 0.092 0.000 3/31680 620.0 0.862 0.877 1.272 0.000 0.090 0.000 3/31680 630.0 0.848 0.863 1.252 0.000 0.089 0.000 3/31680 640.0 0.835 0.849 1.232 0.000 0.087 0.000 3/31680 650.0 0.822 0.836 1.213 0.000 0.086 0.000 3/31680 660.0 0.810 0.823 1.195 0.000 0.084 0.000 3/31680 670.0 0.798 0.811 1.177 0.000 0.083 0.000 3/31680 680.0 0.786 0.799 1.159 0.000 0.082 0.000 3/31680 690.0 0.775 0.788 1.143 0.000 0.081 0.000 3/31680 700.0 0.764 0.776 1.126 0.000 0.080 0.000 3/31680 710.0 0.753 0.765 1.110 0.000 0.078 0.000 3/31680 720.0 0.742 0.755 1.095 0.000 0.077 0.000 3/31680 730.0 0.732 0.744 1.080 0.000 0.076 0.000 3/31680 740.0 0.722 0.734 1.065 0.000 0.075 0.000 3/31680 750.0 0.713 0.725 1.051 0.000 0.074 0.000 3/31680 760.0 0.703 0.715 1.037 0.000 0.073 0.000 3/31680 770.0 0.694 0.706 1.024 0.000 0.072 0.000 3/31680 780.0 0.686 0.697 1.011 0.000 0.071 0.000 3/31680 790.0 0.677 0.688 0.998 0.000 0.070 0.000 3/31680 800.0 0.668 0.679 0.985 0.000 0.069 0.000 3/31680 810.0 0.660 0.671 0.973 0.000 0.069 0.000 3/31680 820.0 0.652 0.663 0.961 0.000 0.068 0.000 3/31680 830.0 0.644 0.655 0.950 0.000 0.067 0.000 3/31680 840.0 0.637 0.647 0.938 0.000 0.066 0.000 3/31680 850.0 0.629 0.639 0.927 0.000 0.065 0.000 3/31680 860.0 0.622 0.632 0.917 0.000 0.064 0.000 3/31680 870.0 0.615 0.625 0.906 0.000 0.064 0.000 3/31680 880.0 0.608 0.618 0.896 0.000 0.063 0.000 3/31680 890.0 0.601 0.611 0.886 0.000 0.062 0.000 3/31680 900.0 0.594 0.604 0.876 0.000 0.062 0.000 3/31680 910.0 0.588 0.597 0.866 0.000 0.061 0.000 3/31680 920.0 0.582 0.591 0.857 0.000 0.060 0.000 3/31680 930.0 0.575 0.584 0.848 0.000 0.060 0.000 3/31680 940.0 0.569 0.578 0.839 0.000 0.059 0.000 3/31680 950.0 0.563 0.572 0.830 0.000 0.058 0.000 3/31680 960.0 0.557 0.566 0.821 0.000 0.058 0.000 3/31680 970.0 0.552 0.560 0.813 0.000 0.057 0.000 3/31680 980.0 0.546 0.555 0.805 0.000 0.056 0.000 3/31680 990.0 0.541 0.549 0.796 0.000 0.056 0.000 3/31680 1000.0 0.535 0.544 0.788 0.000 0.055 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m865.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:11:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|