----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:06:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.242587070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.642970960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.157439659999998 Atomic positions (fractional): *1 Ho 0.61725840890241 0.25000000000000 0.77531719605705 164.930 *2 Ho 0.63575555824406 0.25000000000000 0.44388099271645 164.930 3 Ho 0.86424444175594 0.75000000000000 0.94388099271645 164.930 4 Ho 0.88274159109759 0.75000000000000 0.27531719605705 164.930 5 Ho 0.11725840890241 0.25000000000000 0.72468280394295 164.930 6 Ho 0.13575555824406 0.25000000000000 0.05611900728355 164.930 7 Ho 0.36424444175594 0.75000000000000 0.55611900728355 164.930 8 Ho 0.38274159109759 0.75000000000000 0.22468280394295 164.930 *9 Ti 0.67217073790191 0.25000000000000 0.11820816654413 47.867 10 Ti 0.82782926209809 0.75000000000000 0.61820816654413 47.867 11 Ti 0.17217073790191 0.25000000000000 0.38179183345587 47.867 12 Ti 0.32782926209809 0.75000000000000 0.88179183345587 47.867 *13 O 0.50626672189916 0.75000000000000 0.39510517395852 15.999 *14 O 0.50302277496211 0.25000000000000 0.15404208485415 15.999 *15 O 0.72437479693425 0.25000000000000 0.95529062384418 15.999 *16 O 0.73781761186965 0.75000000000000 0.11550326365353 15.999 *17 O 0.74576090423051 0.75000000000000 0.77072286088660 15.999 18 O 0.75423909576949 0.25000000000000 0.27072286088659 15.999 19 O 0.76218238813035 0.25000000000000 0.61550326365353 15.999 20 O 0.77562520306575 0.75000000000000 0.45529062384418 15.999 21 O 0.99697722503789 0.75000000000000 0.65404208485415 15.999 22 O 0.99373327810084 0.25000000000000 0.89510517395852 15.999 23 O 0.00626672189916 0.75000000000000 0.10489482604148 15.999 24 O 0.00302277496211 0.25000000000000 0.34595791514585 15.999 25 O 0.22437479693425 0.25000000000000 0.54470937615582 15.999 26 O 0.23781761186965 0.75000000000000 0.38449673634647 15.999 27 O 0.24576090423051 0.75000000000000 0.72927713911340 15.999 28 O 0.25423909576949 0.25000000000000 0.22927713911340 15.999 29 O 0.26218238813035 0.25000000000000 0.88449673634647 15.999 30 O 0.27562520306575 0.75000000000000 0.04470937615582 15.999 31 O 0.49697722503789 0.75000000000000 0.84595791514585 15.999 32 O 0.49373327810084 0.25000000000000 0.60489482604148 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.242587070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.642970960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.157439659999998 Atomic positions (fractional): *1 Ho 0.61725840890241 0.25000000000000 0.77531719605705 164.930 > 1 *2 Ho 0.63575555824406 0.25000000000000 0.44388099271645 164.930 > 2 3 Ho 0.86424444175594 0.75000000000000 0.94388099271645 164.930 > 3 4 Ho 0.88274159109759 0.75000000000000 0.27531719605705 164.930 > 4 5 Ho 0.11725840890241 0.25000000000000 0.72468280394295 164.930 > 5 6 Ho 0.13575555824406 0.25000000000000 0.05611900728355 164.930 > 6 7 Ho 0.36424444175594 0.75000000000000 0.55611900728355 164.930 > 7 8 Ho 0.38274159109759 0.75000000000000 0.22468280394295 164.930 > 8 *9 Ti 0.67217073790191 0.25000000000000 0.11820816654413 47.867 > 9 10 Ti 0.82782926209809 0.75000000000000 0.61820816654413 47.867 > 10 11 Ti 0.17217073790191 0.25000000000000 0.38179183345587 47.867 > 11 12 Ti 0.32782926209809 0.75000000000000 0.88179183345587 47.867 > 12 *13 O 0.50626672189916 0.75000000000000 0.39510517395852 15.999 > 13 *14 O 0.50302277496211 0.25000000000000 0.15404208485415 15.999 > 14 *15 O 0.72437479693425 0.25000000000000 0.95529062384418 15.999 > 15 *16 O 0.73781761186965 0.75000000000000 0.11550326365353 15.999 > 16 *17 O 0.74576090423051 0.75000000000000 0.77072286088660 15.999 > 17 18 O 0.75423909576949 0.25000000000000 0.27072286088659 15.999 > 18 19 O 0.76218238813035 0.25000000000000 0.61550326365353 15.999 > 19 20 O 0.77562520306575 0.75000000000000 0.45529062384418 15.999 > 20 21 O 0.99697722503789 0.75000000000000 0.65404208485415 15.999 > 21 22 O 0.99373327810084 0.25000000000000 0.89510517395852 15.999 > 22 23 O 0.00626672189916 0.75000000000000 0.10489482604148 15.999 > 23 24 O 0.00302277496211 0.25000000000000 0.34595791514585 15.999 > 24 25 O 0.22437479693425 0.25000000000000 0.54470937615582 15.999 > 25 26 O 0.23781761186965 0.75000000000000 0.38449673634647 15.999 > 26 27 O 0.24576090423051 0.75000000000000 0.72927713911340 15.999 > 27 28 O 0.25423909576949 0.25000000000000 0.22927713911340 15.999 > 28 29 O 0.26218238813035 0.25000000000000 0.88449673634647 15.999 > 29 30 O 0.27562520306575 0.75000000000000 0.04470937615582 15.999 > 30 31 O 0.49697722503789 0.75000000000000 0.84595791514585 15.999 > 31 32 O 0.49373327810084 0.25000000000000 0.60489482604148 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.242587070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.928912880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.157439659999998 Atomic positions (fractional): *1 Ho 0.61725840890241 0.08333333333333 0.77531719605705 164.930 > 1 2 Ho 0.61725840890241 0.41666666666667 0.77531719605705 164.930 > 1 3 Ho 0.61725840890241 0.75000000000000 0.77531719605705 164.930 > 1 *4 Ho 0.63575555824406 0.08333333333333 0.44388099271645 164.930 > 2 5 Ho 0.63575555824406 0.41666666666667 0.44388099271645 164.930 > 2 6 Ho 0.63575555824406 0.75000000000000 0.44388099271645 164.930 > 2 7 Ho 0.86424444175594 0.25000000000000 0.94388099271645 164.930 > 3 8 Ho 0.86424444175594 0.58333333333333 0.94388099271645 164.930 > 3 9 Ho 0.86424444175594 0.91666666666667 0.94388099271645 164.930 > 3 10 Ho 0.88274159109759 0.25000000000000 0.27531719605705 164.930 > 4 11 Ho 0.88274159109759 0.58333333333333 0.27531719605705 164.930 > 4 12 Ho 0.88274159109759 0.91666666666667 0.27531719605705 164.930 > 4 13 Ho 0.11725840890241 0.08333333333333 0.72468280394295 164.930 > 5 14 Ho 0.11725840890241 0.41666666666667 0.72468280394295 164.930 > 5 15 Ho 0.11725840890241 0.75000000000000 0.72468280394295 164.930 > 5 16 Ho 0.13575555824406 0.08333333333333 0.05611900728355 164.930 > 6 17 Ho 0.13575555824406 0.41666666666667 0.05611900728355 164.930 > 6 18 Ho 0.13575555824406 0.75000000000000 0.05611900728355 164.930 > 6 19 Ho 0.36424444175594 0.25000000000000 0.55611900728355 164.930 > 7 20 Ho 0.36424444175594 0.58333333333333 0.55611900728355 164.930 > 7 21 Ho 0.36424444175594 0.91666666666667 0.55611900728355 164.930 > 7 22 Ho 0.38274159109759 0.25000000000000 0.22468280394295 164.930 > 8 23 Ho 0.38274159109759 0.58333333333333 0.22468280394295 164.930 > 8 24 Ho 0.38274159109759 0.91666666666667 0.22468280394295 164.930 > 8 *25 Ti 0.67217073790191 0.08333333333333 0.11820816654413 47.867 > 9 26 Ti 0.67217073790191 0.41666666666667 0.11820816654413 47.867 > 9 27 Ti 0.67217073790191 0.75000000000000 0.11820816654413 47.867 > 9 28 Ti 0.82782926209809 0.25000000000000 0.61820816654413 47.867 > 10 29 Ti 0.82782926209809 0.58333333333333 0.61820816654413 47.867 > 10 30 Ti 0.82782926209809 0.91666666666667 0.61820816654413 47.867 > 10 31 Ti 0.17217073790191 0.08333333333333 0.38179183345587 47.867 > 11 32 Ti 0.17217073790191 0.41666666666667 0.38179183345587 47.867 > 11 33 Ti 0.17217073790191 0.75000000000000 0.38179183345587 47.867 > 11 34 Ti 0.32782926209809 0.25000000000000 0.88179183345587 47.867 > 12 35 Ti 0.32782926209809 0.58333333333333 0.88179183345587 47.867 > 12 36 Ti 0.32782926209809 0.91666666666667 0.88179183345587 47.867 > 12 *37 O 0.50626672189916 0.25000000000000 0.39510517395852 15.999 > 13 38 O 0.50626672189916 0.58333333333333 0.39510517395852 15.999 > 13 39 O 0.50626672189916 0.91666666666667 0.39510517395852 15.999 > 13 *40 O 0.50302277496211 0.08333333333333 0.15404208485415 15.999 > 14 41 O 0.50302277496211 0.41666666666667 0.15404208485415 15.999 > 14 42 O 0.50302277496211 0.75000000000000 0.15404208485415 15.999 > 14 *43 O 0.72437479693425 0.08333333333333 0.95529062384418 15.999 > 15 44 O 0.72437479693425 0.41666666666667 0.95529062384418 15.999 > 15 45 O 0.72437479693425 0.75000000000000 0.95529062384418 15.999 > 15 *46 O 0.73781761186965 0.25000000000000 0.11550326365353 15.999 > 16 47 O 0.73781761186965 0.58333333333333 0.11550326365353 15.999 > 16 48 O 0.73781761186965 0.91666666666667 0.11550326365353 15.999 > 16 *49 O 0.74576090423051 0.25000000000000 0.77072286088660 15.999 > 17 50 O 0.74576090423051 0.58333333333333 0.77072286088660 15.999 > 17 51 O 0.74576090423051 0.91666666666667 0.77072286088660 15.999 > 17 52 O 0.75423909576949 0.08333333333333 0.27072286088659 15.999 > 18 53 O 0.75423909576949 0.41666666666667 0.27072286088659 15.999 > 18 54 O 0.75423909576949 0.75000000000000 0.27072286088659 15.999 > 18 55 O 0.76218238813035 0.08333333333333 0.61550326365353 15.999 > 19 56 O 0.76218238813035 0.41666666666667 0.61550326365353 15.999 > 19 57 O 0.76218238813035 0.75000000000000 0.61550326365353 15.999 > 19 58 O 0.77562520306575 0.25000000000000 0.45529062384418 15.999 > 20 59 O 0.77562520306575 0.58333333333333 0.45529062384418 15.999 > 20 60 O 0.77562520306575 0.91666666666667 0.45529062384418 15.999 > 20 61 O 0.99697722503789 0.25000000000000 0.65404208485415 15.999 > 21 62 O 0.99697722503789 0.58333333333333 0.65404208485415 15.999 > 21 63 O 0.99697722503789 0.91666666666667 0.65404208485415 15.999 > 21 64 O 0.99373327810084 0.08333333333333 0.89510517395852 15.999 > 22 65 O 0.99373327810084 0.41666666666667 0.89510517395852 15.999 > 22 66 O 0.99373327810084 0.75000000000000 0.89510517395852 15.999 > 22 67 O 0.00626672189916 0.25000000000000 0.10489482604148 15.999 > 23 68 O 0.00626672189916 0.58333333333333 0.10489482604148 15.999 > 23 69 O 0.00626672189916 0.91666666666667 0.10489482604148 15.999 > 23 70 O 0.00302277496211 0.08333333333333 0.34595791514585 15.999 > 24 71 O 0.00302277496211 0.41666666666667 0.34595791514585 15.999 > 24 72 O 0.00302277496211 0.75000000000000 0.34595791514585 15.999 > 24 73 O 0.22437479693425 0.08333333333333 0.54470937615582 15.999 > 25 74 O 0.22437479693425 0.41666666666667 0.54470937615582 15.999 > 25 75 O 0.22437479693425 0.75000000000000 0.54470937615582 15.999 > 25 76 O 0.23781761186965 0.25000000000000 0.38449673634647 15.999 > 26 77 O 0.23781761186965 0.58333333333333 0.38449673634647 15.999 > 26 78 O 0.23781761186965 0.91666666666667 0.38449673634647 15.999 > 26 79 O 0.24576090423051 0.25000000000000 0.72927713911340 15.999 > 27 80 O 0.24576090423051 0.58333333333333 0.72927713911340 15.999 > 27 81 O 0.24576090423051 0.91666666666667 0.72927713911340 15.999 > 27 82 O 0.25423909576949 0.08333333333333 0.22927713911340 15.999 > 28 83 O 0.25423909576949 0.41666666666667 0.22927713911340 15.999 > 28 84 O 0.25423909576949 0.75000000000000 0.22927713911340 15.999 > 28 85 O 0.26218238813035 0.08333333333333 0.88449673634647 15.999 > 29 86 O 0.26218238813035 0.41666666666667 0.88449673634647 15.999 > 29 87 O 0.26218238813035 0.75000000000000 0.88449673634647 15.999 > 29 88 O 0.27562520306575 0.25000000000000 0.04470937615582 15.999 > 30 89 O 0.27562520306575 0.58333333333333 0.04470937615582 15.999 > 30 90 O 0.27562520306575 0.91666666666667 0.04470937615582 15.999 > 30 91 O 0.49697722503789 0.25000000000000 0.84595791514585 15.999 > 31 92 O 0.49697722503789 0.58333333333333 0.84595791514585 15.999 > 31 93 O 0.49697722503789 0.91666666666667 0.84595791514585 15.999 > 31 94 O 0.49373327810084 0.08333333333333 0.60489482604148 15.999 > 32 95 O 0.49373327810084 0.41666666666667 0.60489482604148 15.999 > 32 96 O 0.49373327810084 0.75000000000000 0.60489482604148 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4207060 0.0000000 0.0000000 0.0000000 4.6136490 0.0000000 0.0000000 0.0000000 4.5947398 -------------------------- Born effective charges -------------------------- 1 Ho 4.2470994 0.0000000 -0.0861319 0.0000000 3.8315485 0.0000000 0.3916003 0.0000000 4.0924632 2 Ho 3.8315179 0.0000000 -0.3057416 0.0000000 3.8655124 0.0000000 0.0687116 0.0000000 3.6485889 3 Ho 3.8315179 0.0000000 0.3057416 0.0000000 3.8655124 0.0000000 -0.0687116 0.0000000 3.6485889 4 Ho 4.2470994 0.0000000 0.0861319 0.0000000 3.8315485 0.0000000 -0.3916003 0.0000000 4.0924632 5 Ho 4.2470994 0.0000000 0.0861319 0.0000000 3.8315485 0.0000000 -0.3916003 0.0000000 4.0924632 6 Ho 3.8315179 0.0000000 0.3057416 0.0000000 3.8655124 0.0000000 -0.0687116 0.0000000 3.6485889 7 Ho 3.8315179 0.0000000 -0.3057416 0.0000000 3.8655124 0.0000000 0.0687116 0.0000000 3.6485889 8 Ho 4.2470994 0.0000000 -0.0861319 0.0000000 3.8315485 0.0000000 0.3916003 0.0000000 4.0924632 9 Ti 3.5663988 0.0000000 -0.1150596 0.0000000 5.1291871 0.0000000 -0.4525254 0.0000000 4.6451151 10 Ti 3.5663988 0.0000000 0.1150596 0.0000000 5.1291871 0.0000000 0.4525254 0.0000000 4.6451151 11 Ti 3.5663988 0.0000000 0.1150596 0.0000000 5.1291871 0.0000000 0.4525254 0.0000000 4.6451151 12 Ti 3.5663988 0.0000000 -0.1150596 0.0000000 5.1291871 0.0000000 -0.4525254 0.0000000 4.6451151 13 O -2.5064389 0.0000000 -0.0668276 0.0000000 -2.3656909 0.0000000 -0.4245896 0.0000000 -2.5121653 14 O -3.5120816 0.0000000 0.8122385 0.0000000 -1.8002850 0.0000000 0.7856342 0.0000000 -1.3002569 15 O -1.8749842 0.0000000 0.0972310 0.0000000 -2.2658758 0.0000000 0.3451826 0.0000000 -3.6576557 16 O -1.5697429 0.0000000 -0.0853649 0.0000000 -3.9992976 0.0000000 0.0945948 0.0000000 -1.8112834 17 O -2.1817685 0.0000000 0.3317876 0.0000000 -2.3950986 0.0000000 0.3944434 0.0000000 -3.1048060 18 O -2.1817685 0.0000000 -0.3317876 0.0000000 -2.3950986 0.0000000 -0.3944434 0.0000000 -3.1048060 19 O -1.5697429 0.0000000 0.0853649 0.0000000 -3.9992976 0.0000000 -0.0945948 0.0000000 -1.8112834 20 O -1.8749842 0.0000000 -0.0972310 0.0000000 -2.2658758 0.0000000 -0.3451826 0.0000000 -3.6576557 21 O -3.5120816 0.0000000 -0.8122385 0.0000000 -1.8002850 0.0000000 -0.7856342 0.0000000 -1.3002569 22 O -2.5064389 0.0000000 0.0668276 0.0000000 -2.3656909 0.0000000 0.4245896 0.0000000 -2.5121653 23 O -2.5064389 0.0000000 0.0668276 0.0000000 -2.3656909 0.0000000 0.4245896 0.0000000 -2.5121653 24 O -3.5120816 0.0000000 -0.8122385 0.0000000 -1.8002850 0.0000000 -0.7856342 0.0000000 -1.3002569 25 O -1.8749842 0.0000000 -0.0972310 0.0000000 -2.2658758 0.0000000 -0.3451826 0.0000000 -3.6576557 26 O -1.5697429 0.0000000 0.0853649 0.0000000 -3.9992976 0.0000000 -0.0945948 0.0000000 -1.8112834 27 O -2.1817685 0.0000000 -0.3317876 0.0000000 -2.3950986 0.0000000 -0.3944434 0.0000000 -3.1048060 28 O -2.1817685 0.0000000 0.3317876 0.0000000 -2.3950986 0.0000000 0.3944434 0.0000000 -3.1048060 29 O -1.5697429 0.0000000 -0.0853649 0.0000000 -3.9992976 0.0000000 0.0945948 0.0000000 -1.8112834 30 O -1.8749842 0.0000000 0.0972310 0.0000000 -2.2658758 0.0000000 0.3451826 0.0000000 -3.6576557 31 O -3.5120816 0.0000000 0.8122385 0.0000000 -1.8002850 0.0000000 0.7856342 0.0000000 -1.3002569 32 O -2.5064389 0.0000000 -0.0668276 0.0000000 -2.3656909 0.0000000 -0.4245896 0.0000000 -2.5121653 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.568 Solver_block: 200 / 480 - Time: 2.584 Solver_block: 300 / 480 - Time: 2.581 Solver_block: 400 / 480 - Time: 2.601 Solver_block: 480 / 480 - Time: 2.101 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.491 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:06:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:06:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.242587070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.642970960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.157439659999998 Atomic positions (fractional): 1 Ho 0.61725840890241 0.25000000000000 0.77531719605705 164.930 2 Ho 0.63575555824406 0.25000000000000 0.44388099271645 164.930 3 Ho 0.86424444175594 0.75000000000000 0.94388099271645 164.930 4 Ho 0.88274159109759 0.75000000000000 0.27531719605705 164.930 5 Ho 0.11725840890241 0.25000000000000 0.72468280394295 164.930 6 Ho 0.13575555824406 0.25000000000000 0.05611900728355 164.930 7 Ho 0.36424444175594 0.75000000000000 0.55611900728355 164.930 8 Ho 0.38274159109759 0.75000000000000 0.22468280394295 164.930 9 Ti 0.67217073790191 0.25000000000000 0.11820816654413 47.867 10 Ti 0.82782926209809 0.75000000000000 0.61820816654413 47.867 11 Ti 0.17217073790191 0.25000000000000 0.38179183345587 47.867 12 Ti 0.32782926209809 0.75000000000000 0.88179183345587 47.867 13 O 0.50626672189916 0.75000000000000 0.39510517395852 15.999 14 O 0.50302277496211 0.25000000000000 0.15404208485415 15.999 15 O 0.72437479693425 0.25000000000000 0.95529062384418 15.999 16 O 0.73781761186965 0.75000000000000 0.11550326365353 15.999 17 O 0.74576090423051 0.75000000000000 0.77072286088660 15.999 18 O 0.75423909576949 0.25000000000000 0.27072286088659 15.999 19 O 0.76218238813035 0.25000000000000 0.61550326365353 15.999 20 O 0.77562520306575 0.75000000000000 0.45529062384418 15.999 21 O 0.99697722503789 0.75000000000000 0.65404208485415 15.999 22 O 0.99373327810084 0.25000000000000 0.89510517395852 15.999 23 O 0.00626672189916 0.75000000000000 0.10489482604148 15.999 24 O 0.00302277496211 0.25000000000000 0.34595791514585 15.999 25 O 0.22437479693425 0.25000000000000 0.54470937615582 15.999 26 O 0.23781761186965 0.75000000000000 0.38449673634647 15.999 27 O 0.24576090423051 0.75000000000000 0.72927713911340 15.999 28 O 0.25423909576949 0.25000000000000 0.22927713911340 15.999 29 O 0.26218238813035 0.25000000000000 0.88449673634647 15.999 30 O 0.27562520306575 0.75000000000000 0.04470937615582 15.999 31 O 0.49697722503789 0.75000000000000 0.84595791514585 15.999 32 O 0.49373327810084 0.25000000000000 0.60489482604148 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.242587070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.928912880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.157439659999998 Atomic positions (fractional): 1 Ho 0.61725840890241 0.08333333333333 0.77531719605705 164.930 > 1 2 Ho 0.61725840890241 0.41666666666667 0.77531719605705 164.930 > 1 3 Ho 0.61725840890241 0.75000000000000 0.77531719605705 164.930 > 1 4 Ho 0.63575555824406 0.08333333333333 0.44388099271645 164.930 > 4 5 Ho 0.63575555824406 0.41666666666667 0.44388099271645 164.930 > 4 6 Ho 0.63575555824406 0.75000000000000 0.44388099271645 164.930 > 4 7 Ho 0.86424444175594 0.25000000000000 0.94388099271645 164.930 > 7 8 Ho 0.86424444175594 0.58333333333333 0.94388099271645 164.930 > 7 9 Ho 0.86424444175594 0.91666666666667 0.94388099271645 164.930 > 7 10 Ho 0.88274159109759 0.25000000000000 0.27531719605705 164.930 > 10 11 Ho 0.88274159109759 0.58333333333333 0.27531719605705 164.930 > 10 12 Ho 0.88274159109759 0.91666666666667 0.27531719605705 164.930 > 10 13 Ho 0.11725840890241 0.08333333333333 0.72468280394295 164.930 > 13 14 Ho 0.11725840890241 0.41666666666667 0.72468280394295 164.930 > 13 15 Ho 0.11725840890241 0.75000000000000 0.72468280394295 164.930 > 13 16 Ho 0.13575555824406 0.08333333333333 0.05611900728355 164.930 > 16 17 Ho 0.13575555824406 0.41666666666667 0.05611900728355 164.930 > 16 18 Ho 0.13575555824406 0.75000000000000 0.05611900728355 164.930 > 16 19 Ho 0.36424444175594 0.25000000000000 0.55611900728355 164.930 > 19 20 Ho 0.36424444175594 0.58333333333333 0.55611900728355 164.930 > 19 21 Ho 0.36424444175594 0.91666666666667 0.55611900728355 164.930 > 19 22 Ho 0.38274159109759 0.25000000000000 0.22468280394295 164.930 > 22 23 Ho 0.38274159109759 0.58333333333333 0.22468280394295 164.930 > 22 24 Ho 0.38274159109759 0.91666666666667 0.22468280394295 164.930 > 22 25 Ti 0.67217073790191 0.08333333333333 0.11820816654413 47.867 > 25 26 Ti 0.67217073790191 0.41666666666667 0.11820816654413 47.867 > 25 27 Ti 0.67217073790191 0.75000000000000 0.11820816654413 47.867 > 25 28 Ti 0.82782926209809 0.25000000000000 0.61820816654413 47.867 > 28 29 Ti 0.82782926209809 0.58333333333333 0.61820816654413 47.867 > 28 30 Ti 0.82782926209809 0.91666666666667 0.61820816654413 47.867 > 28 31 Ti 0.17217073790191 0.08333333333333 0.38179183345587 47.867 > 31 32 Ti 0.17217073790191 0.41666666666667 0.38179183345587 47.867 > 31 33 Ti 0.17217073790191 0.75000000000000 0.38179183345587 47.867 > 31 34 Ti 0.32782926209809 0.25000000000000 0.88179183345587 47.867 > 34 35 Ti 0.32782926209809 0.58333333333333 0.88179183345587 47.867 > 34 36 Ti 0.32782926209809 0.91666666666667 0.88179183345587 47.867 > 34 37 O 0.50626672189916 0.25000000000000 0.39510517395852 15.999 > 37 38 O 0.50626672189916 0.58333333333333 0.39510517395852 15.999 > 37 39 O 0.50626672189916 0.91666666666667 0.39510517395852 15.999 > 37 40 O 0.50302277496211 0.08333333333333 0.15404208485415 15.999 > 40 41 O 0.50302277496211 0.41666666666667 0.15404208485415 15.999 > 40 42 O 0.50302277496211 0.75000000000000 0.15404208485415 15.999 > 40 43 O 0.72437479693425 0.08333333333333 0.95529062384418 15.999 > 43 44 O 0.72437479693425 0.41666666666667 0.95529062384418 15.999 > 43 45 O 0.72437479693425 0.75000000000000 0.95529062384418 15.999 > 43 46 O 0.73781761186965 0.25000000000000 0.11550326365353 15.999 > 46 47 O 0.73781761186965 0.58333333333333 0.11550326365353 15.999 > 46 48 O 0.73781761186965 0.91666666666667 0.11550326365353 15.999 > 46 49 O 0.74576090423051 0.25000000000000 0.77072286088660 15.999 > 49 50 O 0.74576090423051 0.58333333333333 0.77072286088660 15.999 > 49 51 O 0.74576090423051 0.91666666666667 0.77072286088660 15.999 > 49 52 O 0.75423909576949 0.08333333333333 0.27072286088659 15.999 > 52 53 O 0.75423909576949 0.41666666666667 0.27072286088659 15.999 > 52 54 O 0.75423909576949 0.75000000000000 0.27072286088659 15.999 > 52 55 O 0.76218238813035 0.08333333333333 0.61550326365353 15.999 > 55 56 O 0.76218238813035 0.41666666666667 0.61550326365353 15.999 > 55 57 O 0.76218238813035 0.75000000000000 0.61550326365353 15.999 > 55 58 O 0.77562520306575 0.25000000000000 0.45529062384418 15.999 > 58 59 O 0.77562520306575 0.58333333333333 0.45529062384418 15.999 > 58 60 O 0.77562520306575 0.91666666666667 0.45529062384418 15.999 > 58 61 O 0.99697722503789 0.25000000000000 0.65404208485415 15.999 > 61 62 O 0.99697722503789 0.58333333333333 0.65404208485415 15.999 > 61 63 O 0.99697722503789 0.91666666666667 0.65404208485415 15.999 > 61 64 O 0.99373327810084 0.08333333333333 0.89510517395852 15.999 > 64 65 O 0.99373327810084 0.41666666666667 0.89510517395852 15.999 > 64 66 O 0.99373327810084 0.75000000000000 0.89510517395852 15.999 > 64 67 O 0.00626672189916 0.25000000000000 0.10489482604148 15.999 > 67 68 O 0.00626672189916 0.58333333333333 0.10489482604148 15.999 > 67 69 O 0.00626672189916 0.91666666666667 0.10489482604148 15.999 > 67 70 O 0.00302277496211 0.08333333333333 0.34595791514585 15.999 > 70 71 O 0.00302277496211 0.41666666666667 0.34595791514585 15.999 > 70 72 O 0.00302277496211 0.75000000000000 0.34595791514585 15.999 > 70 73 O 0.22437479693425 0.08333333333333 0.54470937615582 15.999 > 73 74 O 0.22437479693425 0.41666666666667 0.54470937615582 15.999 > 73 75 O 0.22437479693425 0.75000000000000 0.54470937615582 15.999 > 73 76 O 0.23781761186965 0.25000000000000 0.38449673634647 15.999 > 76 77 O 0.23781761186965 0.58333333333333 0.38449673634647 15.999 > 76 78 O 0.23781761186965 0.91666666666667 0.38449673634647 15.999 > 76 79 O 0.24576090423051 0.25000000000000 0.72927713911340 15.999 > 79 80 O 0.24576090423051 0.58333333333333 0.72927713911340 15.999 > 79 81 O 0.24576090423051 0.91666666666667 0.72927713911340 15.999 > 79 82 O 0.25423909576949 0.08333333333333 0.22927713911340 15.999 > 82 83 O 0.25423909576949 0.41666666666667 0.22927713911340 15.999 > 82 84 O 0.25423909576949 0.75000000000000 0.22927713911340 15.999 > 82 85 O 0.26218238813035 0.08333333333333 0.88449673634647 15.999 > 85 86 O 0.26218238813035 0.41666666666667 0.88449673634647 15.999 > 85 87 O 0.26218238813035 0.75000000000000 0.88449673634647 15.999 > 85 88 O 0.27562520306575 0.25000000000000 0.04470937615582 15.999 > 88 89 O 0.27562520306575 0.58333333333333 0.04470937615582 15.999 > 88 90 O 0.27562520306575 0.91666666666667 0.04470937615582 15.999 > 88 91 O 0.49697722503789 0.25000000000000 0.84595791514585 15.999 > 91 92 O 0.49697722503789 0.58333333333333 0.84595791514585 15.999 > 91 93 O 0.49697722503789 0.91666666666667 0.84595791514585 15.999 > 91 94 O 0.49373327810084 0.08333333333333 0.60489482604148 15.999 > 94 95 O 0.49373327810084 0.41666666666667 0.60489482604148 15.999 > 94 96 O 0.49373327810084 0.75000000000000 0.60489482604148 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4207060 0.0000000 0.0000000 0.0000000 4.6136490 0.0000000 0.0000000 0.0000000 4.5947398 -------------------------- Born effective charges -------------------------- 1 Ho 4.2470994 0.0000000 -0.0861319 0.0000000 3.8315485 0.0000000 0.3916003 0.0000000 4.0924632 2 Ho 3.8315179 0.0000000 -0.3057416 0.0000000 3.8655124 0.0000000 0.0687116 0.0000000 3.6485889 3 Ho 3.8315179 0.0000000 0.3057416 0.0000000 3.8655124 0.0000000 -0.0687116 0.0000000 3.6485889 4 Ho 4.2470994 0.0000000 0.0861319 0.0000000 3.8315485 0.0000000 -0.3916003 0.0000000 4.0924632 5 Ho 4.2470994 0.0000000 0.0861319 0.0000000 3.8315485 0.0000000 -0.3916003 0.0000000 4.0924632 6 Ho 3.8315179 0.0000000 0.3057416 0.0000000 3.8655124 0.0000000 -0.0687116 0.0000000 3.6485889 7 Ho 3.8315179 0.0000000 -0.3057416 0.0000000 3.8655124 0.0000000 0.0687116 0.0000000 3.6485889 8 Ho 4.2470994 0.0000000 -0.0861319 0.0000000 3.8315485 0.0000000 0.3916003 0.0000000 4.0924632 9 Ti 3.5663988 0.0000000 -0.1150596 0.0000000 5.1291871 0.0000000 -0.4525254 0.0000000 4.6451151 10 Ti 3.5663988 0.0000000 0.1150596 0.0000000 5.1291871 0.0000000 0.4525254 0.0000000 4.6451151 11 Ti 3.5663988 0.0000000 0.1150596 0.0000000 5.1291871 0.0000000 0.4525254 0.0000000 4.6451151 12 Ti 3.5663988 0.0000000 -0.1150596 0.0000000 5.1291871 0.0000000 -0.4525254 0.0000000 4.6451151 13 O -2.5064389 0.0000000 -0.0668276 0.0000000 -2.3656909 0.0000000 -0.4245896 0.0000000 -2.5121653 14 O -3.5120816 0.0000000 0.8122385 0.0000000 -1.8002850 0.0000000 0.7856342 0.0000000 -1.3002569 15 O -1.8749842 0.0000000 0.0972310 0.0000000 -2.2658758 0.0000000 0.3451826 0.0000000 -3.6576557 16 O -1.5697429 0.0000000 -0.0853649 0.0000000 -3.9992976 0.0000000 0.0945948 0.0000000 -1.8112834 17 O -2.1817685 0.0000000 0.3317876 0.0000000 -2.3950986 0.0000000 0.3944434 0.0000000 -3.1048060 18 O -2.1817685 0.0000000 -0.3317876 0.0000000 -2.3950986 0.0000000 -0.3944434 0.0000000 -3.1048060 19 O -1.5697429 0.0000000 0.0853649 0.0000000 -3.9992976 0.0000000 -0.0945948 0.0000000 -1.8112834 20 O -1.8749842 0.0000000 -0.0972310 0.0000000 -2.2658758 0.0000000 -0.3451826 0.0000000 -3.6576557 21 O -3.5120816 0.0000000 -0.8122385 0.0000000 -1.8002850 0.0000000 -0.7856342 0.0000000 -1.3002569 22 O -2.5064389 0.0000000 0.0668276 0.0000000 -2.3656909 0.0000000 0.4245896 0.0000000 -2.5121653 23 O -2.5064389 0.0000000 0.0668276 0.0000000 -2.3656909 0.0000000 0.4245896 0.0000000 -2.5121653 24 O -3.5120816 0.0000000 -0.8122385 0.0000000 -1.8002850 0.0000000 -0.7856342 0.0000000 -1.3002569 25 O -1.8749842 0.0000000 -0.0972310 0.0000000 -2.2658758 0.0000000 -0.3451826 0.0000000 -3.6576557 26 O -1.5697429 0.0000000 0.0853649 0.0000000 -3.9992976 0.0000000 -0.0945948 0.0000000 -1.8112834 27 O -2.1817685 0.0000000 -0.3317876 0.0000000 -2.3950986 0.0000000 -0.3944434 0.0000000 -3.1048060 28 O -2.1817685 0.0000000 0.3317876 0.0000000 -2.3950986 0.0000000 0.3944434 0.0000000 -3.1048060 29 O -1.5697429 0.0000000 -0.0853649 0.0000000 -3.9992976 0.0000000 0.0945948 0.0000000 -1.8112834 30 O -1.8749842 0.0000000 0.0972310 0.0000000 -2.2658758 0.0000000 0.3451826 0.0000000 -3.6576557 31 O -3.5120816 0.0000000 0.8122385 0.0000000 -1.8002850 0.0000000 0.7856342 0.0000000 -1.3002569 32 O -2.5064389 0.0000000 -0.0668276 0.0000000 -2.3656909 0.0000000 -0.4245896 0.0000000 -2.5121653 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-09 01:06:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:06:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.242587070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.642970960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.157439659999998 Atomic positions (fractional): 1 Ho 0.61725840890241 0.25000000000000 0.77531719605705 164.930 2 Ho 0.63575555824406 0.25000000000000 0.44388099271645 164.930 3 Ho 0.86424444175594 0.75000000000000 0.94388099271645 164.930 4 Ho 0.88274159109759 0.75000000000000 0.27531719605705 164.930 5 Ho 0.11725840890241 0.25000000000000 0.72468280394295 164.930 6 Ho 0.13575555824406 0.25000000000000 0.05611900728355 164.930 7 Ho 0.36424444175594 0.75000000000000 0.55611900728355 164.930 8 Ho 0.38274159109759 0.75000000000000 0.22468280394295 164.930 9 Ti 0.67217073790191 0.25000000000000 0.11820816654413 47.867 10 Ti 0.82782926209809 0.75000000000000 0.61820816654413 47.867 11 Ti 0.17217073790191 0.25000000000000 0.38179183345587 47.867 12 Ti 0.32782926209809 0.75000000000000 0.88179183345587 47.867 13 O 0.50626672189916 0.75000000000000 0.39510517395852 15.999 14 O 0.50302277496211 0.25000000000000 0.15404208485415 15.999 15 O 0.72437479693425 0.25000000000000 0.95529062384418 15.999 16 O 0.73781761186965 0.75000000000000 0.11550326365353 15.999 17 O 0.74576090423051 0.75000000000000 0.77072286088660 15.999 18 O 0.75423909576949 0.25000000000000 0.27072286088659 15.999 19 O 0.76218238813035 0.25000000000000 0.61550326365353 15.999 20 O 0.77562520306575 0.75000000000000 0.45529062384418 15.999 21 O 0.99697722503789 0.75000000000000 0.65404208485415 15.999 22 O 0.99373327810084 0.25000000000000 0.89510517395852 15.999 23 O 0.00626672189916 0.75000000000000 0.10489482604148 15.999 24 O 0.00302277496211 0.25000000000000 0.34595791514585 15.999 25 O 0.22437479693425 0.25000000000000 0.54470937615582 15.999 26 O 0.23781761186965 0.75000000000000 0.38449673634647 15.999 27 O 0.24576090423051 0.75000000000000 0.72927713911340 15.999 28 O 0.25423909576949 0.25000000000000 0.22927713911340 15.999 29 O 0.26218238813035 0.25000000000000 0.88449673634647 15.999 30 O 0.27562520306575 0.75000000000000 0.04470937615582 15.999 31 O 0.49697722503789 0.75000000000000 0.84595791514585 15.999 32 O 0.49373327810084 0.25000000000000 0.60489482604148 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.242587070000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.928912880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.157439659999998 Atomic positions (fractional): 1 Ho 0.61725840890241 0.08333333333333 0.77531719605705 164.930 > 1 2 Ho 0.61725840890241 0.41666666666667 0.77531719605705 164.930 > 1 3 Ho 0.61725840890241 0.75000000000000 0.77531719605705 164.930 > 1 4 Ho 0.63575555824406 0.08333333333333 0.44388099271645 164.930 > 4 5 Ho 0.63575555824406 0.41666666666667 0.44388099271645 164.930 > 4 6 Ho 0.63575555824406 0.75000000000000 0.44388099271645 164.930 > 4 7 Ho 0.86424444175594 0.25000000000000 0.94388099271645 164.930 > 7 8 Ho 0.86424444175594 0.58333333333333 0.94388099271645 164.930 > 7 9 Ho 0.86424444175594 0.91666666666667 0.94388099271645 164.930 > 7 10 Ho 0.88274159109759 0.25000000000000 0.27531719605705 164.930 > 10 11 Ho 0.88274159109759 0.58333333333333 0.27531719605705 164.930 > 10 12 Ho 0.88274159109759 0.91666666666667 0.27531719605705 164.930 > 10 13 Ho 0.11725840890241 0.08333333333333 0.72468280394295 164.930 > 13 14 Ho 0.11725840890241 0.41666666666667 0.72468280394295 164.930 > 13 15 Ho 0.11725840890241 0.75000000000000 0.72468280394295 164.930 > 13 16 Ho 0.13575555824406 0.08333333333333 0.05611900728355 164.930 > 16 17 Ho 0.13575555824406 0.41666666666667 0.05611900728355 164.930 > 16 18 Ho 0.13575555824406 0.75000000000000 0.05611900728355 164.930 > 16 19 Ho 0.36424444175594 0.25000000000000 0.55611900728355 164.930 > 19 20 Ho 0.36424444175594 0.58333333333333 0.55611900728355 164.930 > 19 21 Ho 0.36424444175594 0.91666666666667 0.55611900728355 164.930 > 19 22 Ho 0.38274159109759 0.25000000000000 0.22468280394295 164.930 > 22 23 Ho 0.38274159109759 0.58333333333333 0.22468280394295 164.930 > 22 24 Ho 0.38274159109759 0.91666666666667 0.22468280394295 164.930 > 22 25 Ti 0.67217073790191 0.08333333333333 0.11820816654413 47.867 > 25 26 Ti 0.67217073790191 0.41666666666667 0.11820816654413 47.867 > 25 27 Ti 0.67217073790191 0.75000000000000 0.11820816654413 47.867 > 25 28 Ti 0.82782926209809 0.25000000000000 0.61820816654413 47.867 > 28 29 Ti 0.82782926209809 0.58333333333333 0.61820816654413 47.867 > 28 30 Ti 0.82782926209809 0.91666666666667 0.61820816654413 47.867 > 28 31 Ti 0.17217073790191 0.08333333333333 0.38179183345587 47.867 > 31 32 Ti 0.17217073790191 0.41666666666667 0.38179183345587 47.867 > 31 33 Ti 0.17217073790191 0.75000000000000 0.38179183345587 47.867 > 31 34 Ti 0.32782926209809 0.25000000000000 0.88179183345587 47.867 > 34 35 Ti 0.32782926209809 0.58333333333333 0.88179183345587 47.867 > 34 36 Ti 0.32782926209809 0.91666666666667 0.88179183345587 47.867 > 34 37 O 0.50626672189916 0.25000000000000 0.39510517395852 15.999 > 37 38 O 0.50626672189916 0.58333333333333 0.39510517395852 15.999 > 37 39 O 0.50626672189916 0.91666666666667 0.39510517395852 15.999 > 37 40 O 0.50302277496211 0.08333333333333 0.15404208485415 15.999 > 40 41 O 0.50302277496211 0.41666666666667 0.15404208485415 15.999 > 40 42 O 0.50302277496211 0.75000000000000 0.15404208485415 15.999 > 40 43 O 0.72437479693425 0.08333333333333 0.95529062384418 15.999 > 43 44 O 0.72437479693425 0.41666666666667 0.95529062384418 15.999 > 43 45 O 0.72437479693425 0.75000000000000 0.95529062384418 15.999 > 43 46 O 0.73781761186965 0.25000000000000 0.11550326365353 15.999 > 46 47 O 0.73781761186965 0.58333333333333 0.11550326365353 15.999 > 46 48 O 0.73781761186965 0.91666666666667 0.11550326365353 15.999 > 46 49 O 0.74576090423051 0.25000000000000 0.77072286088660 15.999 > 49 50 O 0.74576090423051 0.58333333333333 0.77072286088660 15.999 > 49 51 O 0.74576090423051 0.91666666666667 0.77072286088660 15.999 > 49 52 O 0.75423909576949 0.08333333333333 0.27072286088659 15.999 > 52 53 O 0.75423909576949 0.41666666666667 0.27072286088659 15.999 > 52 54 O 0.75423909576949 0.75000000000000 0.27072286088659 15.999 > 52 55 O 0.76218238813035 0.08333333333333 0.61550326365353 15.999 > 55 56 O 0.76218238813035 0.41666666666667 0.61550326365353 15.999 > 55 57 O 0.76218238813035 0.75000000000000 0.61550326365353 15.999 > 55 58 O 0.77562520306575 0.25000000000000 0.45529062384418 15.999 > 58 59 O 0.77562520306575 0.58333333333333 0.45529062384418 15.999 > 58 60 O 0.77562520306575 0.91666666666667 0.45529062384418 15.999 > 58 61 O 0.99697722503789 0.25000000000000 0.65404208485415 15.999 > 61 62 O 0.99697722503789 0.58333333333333 0.65404208485415 15.999 > 61 63 O 0.99697722503789 0.91666666666667 0.65404208485415 15.999 > 61 64 O 0.99373327810084 0.08333333333333 0.89510517395852 15.999 > 64 65 O 0.99373327810084 0.41666666666667 0.89510517395852 15.999 > 64 66 O 0.99373327810084 0.75000000000000 0.89510517395852 15.999 > 64 67 O 0.00626672189916 0.25000000000000 0.10489482604148 15.999 > 67 68 O 0.00626672189916 0.58333333333333 0.10489482604148 15.999 > 67 69 O 0.00626672189916 0.91666666666667 0.10489482604148 15.999 > 67 70 O 0.00302277496211 0.08333333333333 0.34595791514585 15.999 > 70 71 O 0.00302277496211 0.41666666666667 0.34595791514585 15.999 > 70 72 O 0.00302277496211 0.75000000000000 0.34595791514585 15.999 > 70 73 O 0.22437479693425 0.08333333333333 0.54470937615582 15.999 > 73 74 O 0.22437479693425 0.41666666666667 0.54470937615582 15.999 > 73 75 O 0.22437479693425 0.75000000000000 0.54470937615582 15.999 > 73 76 O 0.23781761186965 0.25000000000000 0.38449673634647 15.999 > 76 77 O 0.23781761186965 0.58333333333333 0.38449673634647 15.999 > 76 78 O 0.23781761186965 0.91666666666667 0.38449673634647 15.999 > 76 79 O 0.24576090423051 0.25000000000000 0.72927713911340 15.999 > 79 80 O 0.24576090423051 0.58333333333333 0.72927713911340 15.999 > 79 81 O 0.24576090423051 0.91666666666667 0.72927713911340 15.999 > 79 82 O 0.25423909576949 0.08333333333333 0.22927713911340 15.999 > 82 83 O 0.25423909576949 0.41666666666667 0.22927713911340 15.999 > 82 84 O 0.25423909576949 0.75000000000000 0.22927713911340 15.999 > 82 85 O 0.26218238813035 0.08333333333333 0.88449673634647 15.999 > 85 86 O 0.26218238813035 0.41666666666667 0.88449673634647 15.999 > 85 87 O 0.26218238813035 0.75000000000000 0.88449673634647 15.999 > 85 88 O 0.27562520306575 0.25000000000000 0.04470937615582 15.999 > 88 89 O 0.27562520306575 0.58333333333333 0.04470937615582 15.999 > 88 90 O 0.27562520306575 0.91666666666667 0.04470937615582 15.999 > 88 91 O 0.49697722503789 0.25000000000000 0.84595791514585 15.999 > 91 92 O 0.49697722503789 0.58333333333333 0.84595791514585 15.999 > 91 93 O 0.49697722503789 0.91666666666667 0.84595791514585 15.999 > 91 94 O 0.49373327810084 0.08333333333333 0.60489482604148 15.999 > 94 95 O 0.49373327810084 0.41666666666667 0.60489482604148 15.999 > 94 96 O 0.49373327810084 0.75000000000000 0.60489482604148 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4207060 0.0000000 0.0000000 0.0000000 4.6136490 0.0000000 0.0000000 0.0000000 4.5947398 -------------------------- Born effective charges -------------------------- 1 Ho 4.2470994 0.0000000 -0.0861319 0.0000000 3.8315485 0.0000000 0.3916003 0.0000000 4.0924632 2 Ho 3.8315179 0.0000000 -0.3057416 0.0000000 3.8655124 0.0000000 0.0687116 0.0000000 3.6485889 3 Ho 3.8315179 0.0000000 0.3057416 0.0000000 3.8655124 0.0000000 -0.0687116 0.0000000 3.6485889 4 Ho 4.2470994 0.0000000 0.0861319 0.0000000 3.8315485 0.0000000 -0.3916003 0.0000000 4.0924632 5 Ho 4.2470994 0.0000000 0.0861319 0.0000000 3.8315485 0.0000000 -0.3916003 0.0000000 4.0924632 6 Ho 3.8315179 0.0000000 0.3057416 0.0000000 3.8655124 0.0000000 -0.0687116 0.0000000 3.6485889 7 Ho 3.8315179 0.0000000 -0.3057416 0.0000000 3.8655124 0.0000000 0.0687116 0.0000000 3.6485889 8 Ho 4.2470994 0.0000000 -0.0861319 0.0000000 3.8315485 0.0000000 0.3916003 0.0000000 4.0924632 9 Ti 3.5663988 0.0000000 -0.1150596 0.0000000 5.1291871 0.0000000 -0.4525254 0.0000000 4.6451151 10 Ti 3.5663988 0.0000000 0.1150596 0.0000000 5.1291871 0.0000000 0.4525254 0.0000000 4.6451151 11 Ti 3.5663988 0.0000000 0.1150596 0.0000000 5.1291871 0.0000000 0.4525254 0.0000000 4.6451151 12 Ti 3.5663988 0.0000000 -0.1150596 0.0000000 5.1291871 0.0000000 -0.4525254 0.0000000 4.6451151 13 O -2.5064389 0.0000000 -0.0668276 0.0000000 -2.3656909 0.0000000 -0.4245896 0.0000000 -2.5121653 14 O -3.5120816 0.0000000 0.8122385 0.0000000 -1.8002850 0.0000000 0.7856342 0.0000000 -1.3002569 15 O -1.8749842 0.0000000 0.0972310 0.0000000 -2.2658758 0.0000000 0.3451826 0.0000000 -3.6576557 16 O -1.5697429 0.0000000 -0.0853649 0.0000000 -3.9992976 0.0000000 0.0945948 0.0000000 -1.8112834 17 O -2.1817685 0.0000000 0.3317876 0.0000000 -2.3950986 0.0000000 0.3944434 0.0000000 -3.1048060 18 O -2.1817685 0.0000000 -0.3317876 0.0000000 -2.3950986 0.0000000 -0.3944434 0.0000000 -3.1048060 19 O -1.5697429 0.0000000 0.0853649 0.0000000 -3.9992976 0.0000000 -0.0945948 0.0000000 -1.8112834 20 O -1.8749842 0.0000000 -0.0972310 0.0000000 -2.2658758 0.0000000 -0.3451826 0.0000000 -3.6576557 21 O -3.5120816 0.0000000 -0.8122385 0.0000000 -1.8002850 0.0000000 -0.7856342 0.0000000 -1.3002569 22 O -2.5064389 0.0000000 0.0668276 0.0000000 -2.3656909 0.0000000 0.4245896 0.0000000 -2.5121653 23 O -2.5064389 0.0000000 0.0668276 0.0000000 -2.3656909 0.0000000 0.4245896 0.0000000 -2.5121653 24 O -3.5120816 0.0000000 -0.8122385 0.0000000 -1.8002850 0.0000000 -0.7856342 0.0000000 -1.3002569 25 O -1.8749842 0.0000000 -0.0972310 0.0000000 -2.2658758 0.0000000 -0.3451826 0.0000000 -3.6576557 26 O -1.5697429 0.0000000 0.0853649 0.0000000 -3.9992976 0.0000000 -0.0945948 0.0000000 -1.8112834 27 O -2.1817685 0.0000000 -0.3317876 0.0000000 -2.3950986 0.0000000 -0.3944434 0.0000000 -3.1048060 28 O -2.1817685 0.0000000 0.3317876 0.0000000 -2.3950986 0.0000000 0.3944434 0.0000000 -3.1048060 29 O -1.5697429 0.0000000 -0.0853649 0.0000000 -3.9992976 0.0000000 0.0945948 0.0000000 -1.8112834 30 O -1.8749842 0.0000000 0.0972310 0.0000000 -2.2658758 0.0000000 0.3451826 0.0000000 -3.6576557 31 O -3.5120816 0.0000000 0.8122385 0.0000000 -1.8002850 0.0000000 0.7856342 0.0000000 -1.3002569 32 O -2.5064389 0.0000000 -0.0668276 0.0000000 -2.3656909 0.0000000 -0.4245896 0.0000000 -2.5121653 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 279, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 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 2.183 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.144 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 8.631 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.931 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.345 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.460 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.693 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 11.453 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 11.819 ( 0.000 0.000 0.000) 0.000 11.866 ( 0.000 0.000 0.000) 0.000 11.987 ( 0.000 0.000 0.000) 0.000 12.141 ( 0.000 0.000 0.000) 0.000 12.966 ( 0.000 0.000 0.000) 0.000 13.092 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.519 ( 0.000 0.000 0.000) 0.000 13.522 ( 0.000 0.000 0.000) 0.000 14.077 ( 0.000 0.000 0.000) 0.000 14.101 ( 0.000 0.000 0.000) 0.000 14.110 ( 0.000 0.000 0.000) 0.000 14.135 ( 0.000 0.000 0.000) 0.000 14.564 ( 0.000 0.000 0.000) 0.000 14.788 ( 0.000 0.000 0.000) 0.000 15.240 ( 0.000 0.000 0.000) 0.000 15.412 ( 0.000 0.000 0.000) 0.000 15.418 ( 0.000 0.000 0.000) 0.000 16.391 ( 0.000 0.000 0.000) 0.000 17.259 ( 0.000 0.000 0.000) 0.000 17.274 ( 0.000 0.000 0.000) 0.000 18.633 ( 0.000 0.000 0.000) 0.000 18.640 ( 0.000 0.000 0.000) 0.000 18.780 ( 0.000 0.000 0.000) 0.000 18.786 ( 0.000 0.000 0.000) 0.000 18.813 ( 0.000 0.000 0.000) 0.000 19.896 ( 0.000 0.000 0.000) 0.000 20.226 ( 0.000 0.000 0.000) 0.000 20.866 ( 0.000 0.000 0.000) 0.000 21.331 ( 0.000 0.000 0.000) 0.000 21.337 ( 0.000 0.000 0.000) 0.000 23.833 ( 0.000 0.000 0.000) 0.000 24.639 ( 0.000 0.000 0.000) 0.000 24.925 ( 0.000 0.000 0.000) 0.000 25.624 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 28.113 0.000 0.000) 28.113 0.601 ( 30.444 0.000 0.000) 30.444 0.982 ( 50.447 0.000 0.000) 50.447 2.088 ( -16.384 0.000 0.000) 16.384 2.153 ( -19.025 0.000 0.000) 19.025 2.310 ( 8.561 0.000 0.000) 8.561 2.383 ( -2.546 0.000 0.000) 2.546 2.549 ( -2.786 0.000 0.000) 2.786 2.594 ( 6.007 0.000 0.000) 6.007 2.621 ( 3.379 0.000 0.000) 3.379 2.877 ( -13.740 0.000 0.000) 13.740 2.954 ( -3.966 0.000 0.000) 3.966 3.003 ( -7.438 0.000 0.000) 7.438 3.267 ( 5.214 0.000 0.000) 5.214 3.270 ( 7.595 0.000 0.000) 7.595 3.327 ( 2.711 0.000 0.000) 2.711 3.476 ( -7.333 0.000 0.000) 7.333 3.636 ( 13.934 0.000 0.000) 13.934 3.808 ( 4.783 0.000 0.000) 4.783 4.098 ( -14.320 0.000 0.000) 14.320 4.242 ( 4.971 0.000 0.000) 4.971 4.417 ( -9.146 0.000 0.000) 9.146 4.914 ( 2.831 0.000 0.000) 2.831 4.945 ( 3.701 0.000 0.000) 3.701 5.026 ( 5.137 0.000 0.000) 5.137 5.102 ( -3.568 0.000 0.000) 3.568 5.138 ( -2.391 0.000 0.000) 2.391 5.223 ( -2.944 0.000 0.000) 2.944 5.749 ( 4.506 0.000 0.000) 4.506 6.062 ( 6.079 0.000 0.000) 6.079 6.113 ( -4.483 0.000 0.000) 4.483 6.429 ( -6.245 0.000 0.000) 6.245 7.005 ( 9.720 0.000 0.000) 9.720 7.232 ( 1.031 0.000 0.000) 1.031 7.337 ( 3.327 0.000 0.000) 3.327 7.569 ( 2.249 0.000 0.000) 2.249 7.599 ( 11.658 0.000 0.000) 11.658 7.795 ( -14.560 0.000 0.000) 14.560 8.041 ( 1.125 0.000 0.000) 1.125 8.133 ( -1.093 0.000 0.000) 1.093 8.138 ( 4.446 0.000 0.000) 4.446 8.156 ( -3.002 0.000 0.000) 3.002 8.509 ( 14.874 0.000 0.000) 14.874 8.530 ( -8.813 0.000 0.000) 8.813 8.793 ( 6.266 0.000 0.000) 6.266 8.964 ( 3.131 0.000 0.000) 3.131 9.145 ( 1.663 0.000 0.000) 1.663 9.316 ( -2.934 0.000 0.000) 2.934 9.417 ( -3.331 0.000 0.000) 3.331 9.521 ( 4.061 0.000 0.000) 4.061 9.680 ( -13.707 0.000 0.000) 13.707 9.812 ( -16.447 0.000 0.000) 16.447 9.896 ( -1.242 0.000 0.000) 1.242 10.350 ( 1.443 0.000 0.000) 1.443 10.365 ( 12.381 0.000 0.000) 12.381 10.718 ( -6.164 0.000 0.000) 6.164 10.906 ( -4.495 0.000 0.000) 4.495 11.320 ( 3.457 0.000 0.000) 3.457 11.410 ( -14.865 0.000 0.000) 14.865 11.532 ( 6.469 0.000 0.000) 6.469 11.547 ( -2.185 0.000 0.000) 2.185 11.786 ( 0.931 0.000 0.000) 0.931 11.963 ( 1.660 0.000 0.000) 1.660 12.006 ( 0.889 0.000 0.000) 0.889 12.979 ( 1.243 0.000 0.000) 1.243 13.081 ( -1.140 0.000 0.000) 1.140 13.198 ( -0.292 0.000 0.000) 0.292 13.336 ( -3.147 0.000 0.000) 3.147 13.541 ( 1.352 0.000 0.000) 1.352 13.549 ( 2.041 0.000 0.000) 2.041 14.080 ( 0.313 0.000 0.000) 0.313 14.107 ( -0.312 0.000 0.000) 0.312 14.181 ( 7.286 0.000 0.000) 7.286 14.242 ( 8.047 0.000 0.000) 8.047 14.652 ( 9.667 0.000 0.000) 9.667 15.183 ( -1.597 0.000 0.000) 1.597 15.251 ( 1.144 0.000 0.000) 1.144 15.398 ( -1.521 0.000 0.000) 1.521 15.436 ( 2.081 0.000 0.000) 2.081 16.245 ( -15.836 0.000 0.000) 15.836 17.269 ( 0.612 0.000 0.000) 0.612 17.270 ( -0.320 0.000 0.000) 0.320 18.633 ( 0.061 0.000 0.000) 0.061 18.639 ( -0.074 0.000 0.000) 0.074 18.781 ( 0.062 0.000 0.000) 0.062 18.785 ( -0.046 0.000 0.000) 0.046 19.939 ( 4.236 0.000 0.000) 4.236 20.187 ( 0.517 0.000 0.000) 0.517 20.257 ( 3.737 0.000 0.000) 3.737 20.833 ( -4.053 0.000 0.000) 4.053 21.222 ( -9.716 0.000 0.000) 9.716 21.384 ( -11.721 0.000 0.000) 11.721 24.001 ( 15.196 0.000 0.000) 15.196 24.845 ( -7.694 0.000 0.000) 7.694 25.730 ( 9.460 0.000 0.000) 9.460 26.232 ( -3.821 0.000 0.000) 3.821 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 28.115 0.000 0.000) 28.115 1.181 ( 28.796 0.000 0.000) 28.796 1.592 ( -17.536 0.000 0.000) 17.536 1.714 ( -25.347 0.000 0.000) 25.347 2.011 ( 34.695 0.000 0.000) 34.695 2.349 ( -1.990 0.000 0.000) 1.990 2.456 ( 4.819 0.000 0.000) 4.819 2.498 ( -1.997 0.000 0.000) 1.997 2.673 ( -2.145 0.000 0.000) 2.145 2.705 ( 5.285 0.000 0.000) 5.285 2.708 ( 4.884 0.000 0.000) 4.884 2.856 ( -5.234 0.000 0.000) 5.234 2.864 ( -6.264 0.000 0.000) 6.264 3.088 ( -33.128 0.000 0.000) 33.128 3.345 ( 2.614 0.000 0.000) 2.614 3.365 ( 0.657 0.000 0.000) 0.657 3.441 ( 9.246 0.000 0.000) 9.246 3.637 ( -11.975 0.000 0.000) 11.975 3.876 ( 10.089 0.000 0.000) 10.089 3.998 ( -1.538 0.000 0.000) 1.538 4.387 ( 7.088 0.000 0.000) 7.088 4.411 ( 3.409 0.000 0.000) 3.409 4.987 ( 4.395 0.000 0.000) 4.395 5.003 ( -4.224 0.000 0.000) 4.224 5.015 ( -3.984 0.000 0.000) 3.984 5.038 ( 5.438 0.000 0.000) 5.438 5.073 ( -4.080 0.000 0.000) 4.080 5.143 ( -5.019 0.000 0.000) 5.019 5.868 ( 6.781 0.000 0.000) 6.781 5.999 ( -6.584 0.000 0.000) 6.584 6.192 ( 6.523 0.000 0.000) 6.523 6.308 ( -5.749 0.000 0.000) 5.749 7.225 ( 10.311 0.000 0.000) 10.311 7.290 ( 6.041 0.000 0.000) 6.041 7.335 ( -3.280 0.000 0.000) 3.280 7.508 ( -13.078 0.000 0.000) 13.078 7.764 ( 15.219 0.000 0.000) 15.219 7.845 ( 12.231 0.000 0.000) 12.231 8.050 ( -7.986 0.000 0.000) 7.986 8.070 ( 1.744 0.000 0.000) 1.744 8.089 ( -13.756 0.000 0.000) 13.756 8.105 ( -1.690 0.000 0.000) 1.690 8.497 ( 9.868 0.000 0.000) 9.868 8.676 ( -1.458 0.000 0.000) 1.458 8.949 ( 8.408 0.000 0.000) 8.408 9.026 ( 1.685 0.000 0.000) 1.685 9.182 ( 1.648 0.000 0.000) 1.648 9.236 ( -4.718 0.000 0.000) 4.718 9.358 ( -1.096 0.000 0.000) 1.096 9.438 ( -9.421 0.000 0.000) 9.421 9.514 ( -8.486 0.000 0.000) 8.486 9.515 ( -4.077 0.000 0.000) 4.077 9.997 ( 11.450 0.000 0.000) 11.450 10.253 ( -12.183 0.000 0.000) 12.183 10.598 ( 10.921 0.000 0.000) 10.921 10.769 ( 12.490 0.000 0.000) 12.490 10.783 ( -7.976 0.000 0.000) 7.976 11.086 ( -17.632 0.000 0.000) 17.632 11.402 ( 4.571 0.000 0.000) 4.571 11.487 ( -3.903 0.000 0.000) 3.903 11.664 ( 6.745 0.000 0.000) 6.745 11.779 ( -3.689 0.000 0.000) 3.689 11.949 ( 0.225 0.000 0.000) 0.225 11.990 ( -2.440 0.000 0.000) 2.440 13.011 ( 1.956 0.000 0.000) 1.956 13.050 ( -1.893 0.000 0.000) 1.893 13.229 ( 3.128 0.000 0.000) 3.128 13.289 ( -2.470 0.000 0.000) 2.470 13.566 ( 1.012 0.000 0.000) 1.012 13.574 ( 0.361 0.000 0.000) 0.361 14.089 ( 0.506 0.000 0.000) 0.506 14.099 ( -0.505 0.000 0.000) 0.505 14.325 ( 5.695 0.000 0.000) 5.695 14.357 ( 2.620 0.000 0.000) 2.620 14.917 ( 14.721 0.000 0.000) 14.721 15.120 ( -5.768 0.000 0.000) 5.768 15.287 ( 2.609 0.000 0.000) 2.609 15.349 ( -3.287 0.000 0.000) 3.287 15.538 ( 10.026 0.000 0.000) 10.026 15.860 ( -21.093 0.000 0.000) 21.093 17.267 ( 0.106 0.000 0.000) 0.106 17.272 ( -0.256 0.000 0.000) 0.256 18.635 ( 0.105 0.000 0.000) 0.105 18.637 ( -0.113 0.000 0.000) 0.113 18.782 ( 0.091 0.000 0.000) 0.091 18.784 ( -0.082 0.000 0.000) 0.082 20.048 ( 6.350 0.000 0.000) 6.350 20.156 ( -3.965 0.000 0.000) 3.965 20.404 ( 11.278 0.000 0.000) 11.278 20.662 ( -13.208 0.000 0.000) 13.208 21.092 ( -1.338 0.000 0.000) 1.338 21.167 ( -8.502 0.000 0.000) 8.502 24.336 ( 17.367 0.000 0.000) 17.367 24.639 ( -13.244 0.000 0.000) 13.244 25.937 ( 10.676 0.000 0.000) 10.676 26.120 ( -7.697 0.000 0.000) 7.697 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.620 ( 0.000 31.523 0.000) 31.523 0.725 ( 0.000 36.047 0.000) 36.047 1.121 ( 0.000 55.143 0.000) 55.143 2.272 ( 0.000 8.422 0.000) 8.422 2.339 ( 0.000 -2.487 0.000) 2.487 2.356 ( 0.000 6.395 0.000) 6.395 2.567 ( 0.000 10.618 0.000) 10.618 2.577 ( 0.000 6.968 0.000) 6.968 2.615 ( 0.000 1.794 0.000) 1.794 2.631 ( 0.000 7.842 0.000) 7.842 3.062 ( 0.000 3.329 0.000) 3.329 3.086 ( 0.000 8.478 0.000) 8.478 3.092 ( 0.000 -2.128 0.000) 2.128 3.213 ( 0.000 7.715 0.000) 7.715 3.224 ( 0.000 -5.876 0.000) 5.876 3.392 ( 0.000 10.806 0.000) 10.806 3.420 ( 0.000 4.503 0.000) 4.503 3.588 ( 0.000 5.498 0.000) 5.498 3.768 ( 0.000 6.035 0.000) 6.035 4.102 ( 0.000 -8.506 0.000) 8.506 4.223 ( 0.000 4.760 0.000) 4.760 4.615 ( 0.000 -2.898 0.000) 2.898 4.825 ( 0.000 1.445 0.000) 1.445 5.116 ( 0.000 -1.030 0.000) 1.030 5.188 ( 0.000 25.068 0.000) 25.068 5.331 ( 0.000 30.168 0.000) 30.168 5.409 ( 0.000 23.403 0.000) 23.403 5.543 ( 0.000 27.211 0.000) 27.211 5.750 ( 0.000 4.242 0.000) 4.242 5.872 ( 0.000 -0.032 0.000) 0.032 6.191 ( 0.000 4.043 0.000) 4.043 6.482 ( 0.000 -1.144 0.000) 1.144 6.906 ( 0.000 0.370 0.000) 0.370 7.076 ( 0.000 -0.412 0.000) 0.412 7.282 ( 0.000 5.186 0.000) 5.186 7.290 ( 0.000 -0.165 0.000) 0.165 7.524 ( 0.000 6.423 0.000) 6.423 7.599 ( 0.000 3.858 0.000) 3.858 7.976 ( 0.000 -6.221 0.000) 6.221 8.131 ( 0.000 -2.463 0.000) 2.463 8.245 ( 0.000 -3.170 0.000) 3.170 8.283 ( 0.000 7.586 0.000) 7.586 8.687 ( 0.000 6.624 0.000) 6.624 8.799 ( 0.000 -8.162 0.000) 8.162 8.890 ( 0.000 13.959 0.000) 13.959 8.919 ( 0.000 9.156 0.000) 9.156 9.084 ( 0.000 6.661 0.000) 6.661 9.191 ( 0.000 6.296 0.000) 6.296 9.202 ( 0.000 -11.368 0.000) 11.368 9.403 ( 0.000 2.421 0.000) 2.421 9.760 ( 0.000 18.048 0.000) 18.048 9.877 ( 0.000 0.339 0.000) 0.339 10.027 ( 0.000 8.294 0.000) 8.294 10.272 ( 0.000 9.233 0.000) 9.233 10.656 ( 0.000 -2.131 0.000) 2.131 10.867 ( 0.000 -5.848 0.000) 5.848 11.184 ( 0.000 -8.153 0.000) 8.153 11.441 ( 0.000 -1.461 0.000) 1.461 11.584 ( 0.000 -1.245 0.000) 1.245 11.634 ( 0.000 6.265 0.000) 6.265 11.850 ( 0.000 -2.621 0.000) 2.621 11.981 ( 0.000 14.053 0.000) 14.053 12.017 ( 0.000 3.134 0.000) 3.134 12.112 ( 0.000 -3.191 0.000) 3.191 12.708 ( 0.000 -22.212 0.000) 22.212 12.836 ( 0.000 -17.478 0.000) 17.478 13.080 ( 0.000 -29.977 0.000) 29.977 13.180 ( 0.000 -28.153 0.000) 28.153 13.519 ( 0.000 6.084 0.000) 6.084 13.855 ( 0.000 9.037 0.000) 9.037 14.057 ( 0.000 -4.411 0.000) 4.411 14.076 ( 0.000 -3.700 0.000) 3.700 14.332 ( 0.000 14.082 0.000) 14.082 14.621 ( 0.000 5.517 0.000) 5.517 15.008 ( 0.000 19.101 0.000) 19.101 15.239 ( 0.000 -0.278 0.000) 0.278 15.406 ( 0.000 -0.678 0.000) 0.678 15.511 ( 0.000 8.998 0.000) 8.998 15.857 ( 0.000 -0.060 0.000) 0.060 16.351 ( 0.000 -3.982 0.000) 3.982 17.333 ( 0.000 7.391 0.000) 7.391 17.338 ( 0.000 6.437 0.000) 6.437 18.145 ( 0.000 -32.022 0.000) 32.022 18.311 ( 0.000 -35.997 0.000) 35.997 18.416 ( 0.000 -20.073 0.000) 20.073 19.381 ( 0.000 24.680 0.000) 24.680 20.000 ( 0.000 -21.087 0.000) 21.087 20.241 ( 0.000 20.574 0.000) 20.574 21.100 ( 0.000 21.559 0.000) 21.559 21.403 ( 0.000 8.872 0.000) 8.872 21.428 ( 0.000 9.902 0.000) 9.902 21.795 ( 0.000 7.683 0.000) 7.683 23.854 ( 0.000 2.121 0.000) 2.121 24.566 ( 0.000 -7.041 0.000) 7.041 24.846 ( 0.000 -7.858 0.000) 7.858 25.512 ( 0.000 -11.204 0.000) 11.204 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 21.190 20.711 0.000) 29.630 0.900 ( 16.357 28.550 0.000) 32.904 1.467 ( 29.754 40.334 0.000) 50.121 2.174 ( -15.894 8.112 0.000) 17.845 2.226 ( -14.728 4.635 0.000) 15.440 2.353 ( 7.192 5.464 0.000) 9.032 2.415 ( -3.710 5.597 0.000) 6.714 2.588 ( -3.121 4.995 0.000) 5.890 2.652 ( 3.704 2.190 0.000) 4.303 2.703 ( 5.167 9.234 0.000) 10.581 2.874 ( -11.455 1.851 0.000) 11.604 2.989 ( -7.101 2.197 0.000) 7.433 3.102 ( -4.557 9.392 0.000) 10.439 3.287 ( 6.364 3.467 0.000) 7.247 3.311 ( 4.431 1.011 0.000) 4.544 3.348 ( 3.960 6.777 0.000) 7.849 3.540 ( -4.588 5.978 0.000) 7.536 3.644 ( 11.802 1.395 0.000) 11.885 3.851 ( 3.484 4.162 0.000) 5.427 3.997 ( -10.690 -6.827 0.000) 12.685 4.265 ( 4.544 3.963 0.000) 6.029 4.436 ( -9.209 2.601 0.000) 9.569 4.887 ( 3.811 -0.756 0.000) 3.886 5.087 ( -3.397 -0.807 0.000) 3.492 5.215 ( 2.622 25.180 0.000) 25.316 5.400 ( -0.635 25.072 0.000) 25.080 5.400 ( 4.072 28.852 0.000) 29.138 5.529 ( -1.724 28.006 0.000) 28.059 5.767 ( 3.416 2.348 0.000) 4.145 6.013 ( 9.137 -2.415 0.000) 9.451 6.144 ( -4.856 3.765 0.000) 6.145 6.406 ( -6.538 -1.482 0.000) 6.704 6.992 ( 7.970 -0.976 0.000) 8.030 7.199 ( 5.788 -9.731 0.000) 11.322 7.276 ( 0.519 4.667 0.000) 4.696 7.412 ( 9.314 -5.808 0.000) 10.977 7.613 ( 3.277 4.523 0.000) 5.585 7.641 ( 9.582 4.684 0.000) 10.666 7.970 ( -9.293 -0.211 0.000) 9.295 7.996 ( 1.928 -6.294 0.000) 6.583 8.284 ( -0.947 -3.066 0.000) 3.209 8.302 ( 0.387 6.347 0.000) 6.359 8.599 ( -5.635 8.909 0.000) 10.542 8.798 ( 3.460 8.001 0.000) 8.717 8.941 ( 2.317 2.424 0.000) 3.354 8.956 ( 5.488 13.057 0.000) 14.163 9.174 ( -1.133 0.433 0.000) 1.213 9.204 ( 0.382 -6.249 0.000) 6.260 9.242 ( 4.725 -4.989 0.000) 6.871 9.467 ( 8.751 0.574 0.000) 8.770 9.790 ( -11.240 1.469 0.000) 11.336 9.836 ( 4.166 20.533 0.000) 20.951 9.970 ( -2.578 7.007 0.000) 7.466 10.160 ( -6.484 10.853 0.000) 12.642 10.621 ( -0.895 -2.198 0.000) 2.373 10.824 ( -3.415 -5.380 0.000) 6.372 11.194 ( -0.231 -9.646 0.000) 9.649 11.375 ( -8.657 -0.965 0.000) 8.710 11.448 ( -11.096 1.015 0.000) 11.143 11.607 ( -13.279 11.522 0.000) 17.581 11.790 ( -6.733 10.970 0.000) 12.872 11.877 ( 3.981 2.992 0.000) 4.980 12.032 ( 1.145 9.918 0.000) 9.984 12.114 ( 1.538 8.907 0.000) 9.039 12.713 ( 0.542 -22.411 0.000) 22.418 12.796 ( -3.156 -19.382 0.000) 19.638 13.138 ( 4.208 -30.219 0.000) 30.511 13.184 ( 0.423 -28.165 0.000) 28.168 13.473 ( -3.090 5.385 0.000) 6.208 13.660 ( -18.424 23.028 0.000) 29.492 14.078 ( 2.823 -3.935 0.000) 4.843 14.148 ( 3.997 -2.366 0.000) 4.645 14.372 ( 4.222 13.053 0.000) 13.719 14.631 ( -19.212 32.032 0.000) 37.352 14.733 ( 11.898 7.225 0.000) 13.920 15.268 ( 1.547 2.165 0.000) 2.661 15.393 ( -1.390 -0.464 0.000) 1.466 15.481 ( -12.204 20.934 0.000) 24.232 15.520 ( 1.047 8.264 0.000) 8.330 16.213 ( -14.796 -3.165 0.000) 15.131 17.330 ( 0.188 6.512 0.000) 6.515 17.334 ( -0.315 6.424 0.000) 6.432 18.190 ( 3.002 -34.481 0.000) 34.611 18.297 ( -1.182 -35.049 0.000) 35.069 18.440 ( 2.249 -20.167 0.000) 20.292 18.858 ( -22.878 7.612 0.000) 24.111 20.216 ( 11.823 -3.362 0.000) 12.292 20.286 ( 4.465 20.244 0.000) 20.731 20.919 ( -21.375 41.854 0.000) 46.997 21.059 ( -5.659 20.589 0.000) 21.353 21.300 ( -7.758 10.877 0.000) 13.360 21.520 ( -12.445 14.757 0.000) 19.305 23.951 ( 13.868 -3.886 0.000) 14.402 24.768 ( -7.502 -7.621 0.000) 10.694 25.530 ( 34.895 -43.724 0.000) 55.941 25.602 ( 8.001 -12.522 0.000) 14.860 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 22.755 18.559 0.000) 29.364 1.327 ( 25.942 11.937 0.000) 28.556 1.748 ( -19.861 13.719 0.000) 24.139 1.829 ( -23.653 9.191 0.000) 25.376 2.157 ( 28.391 16.393 0.000) 32.784 2.398 ( -0.392 5.662 0.000) 5.676 2.473 ( 4.323 2.606 0.000) 5.048 2.531 ( -2.275 4.442 0.000) 4.991 2.675 ( -3.266 1.405 0.000) 3.555 2.793 ( 6.744 7.772 0.000) 10.290 2.802 ( 3.897 7.870 0.000) 8.782 2.818 ( -10.344 -0.509 0.000) 10.357 2.999 ( -3.130 12.198 0.000) 12.593 3.209 ( -19.294 10.308 0.000) 21.875 3.411 ( 3.530 5.711 0.000) 6.714 3.446 ( -1.541 7.499 0.000) 7.655 3.449 ( 7.552 1.974 0.000) 7.806 3.632 ( -12.367 -0.046 0.000) 12.367 3.853 ( 9.119 -1.347 0.000) 9.218 3.965 ( -1.376 -1.431 0.000) 1.985 4.373 ( 4.390 0.867 0.000) 4.475 4.386 ( 1.561 0.116 0.000) 1.565 4.948 ( 2.195 -0.592 0.000) 2.273 5.001 ( -4.154 0.400 0.000) 4.173 5.282 ( 4.070 25.736 0.000) 26.056 5.359 ( -3.296 26.064 0.000) 26.272 5.452 ( 1.308 31.880 0.000) 31.907 5.484 ( -2.313 30.799 0.000) 30.886 5.875 ( 6.877 1.068 0.000) 6.959 6.017 ( -7.406 2.351 0.000) 7.770 6.165 ( 6.469 -2.529 0.000) 6.945 6.280 ( -5.864 -2.592 0.000) 6.411 7.160 ( 7.437 -4.724 0.000) 8.810 7.242 ( -1.125 -7.834 0.000) 7.915 7.323 ( 4.658 3.537 0.000) 5.849 7.440 ( -5.197 -1.862 0.000) 5.520 7.802 ( 13.715 3.925 0.000) 14.266 7.813 ( 6.150 -0.408 0.000) 6.164 7.872 ( -0.727 -4.003 0.000) 4.069 8.034 ( -0.642 -2.524 0.000) 2.605 8.171 ( -9.871 1.294 0.000) 9.955 8.205 ( -5.996 -0.168 0.000) 5.999 8.670 ( 12.321 14.916 0.000) 19.347 8.870 ( -1.832 14.037 0.000) 14.156 8.977 ( 2.270 -4.543 0.000) 5.079 9.034 ( -0.275 0.244 0.000) 0.368 9.191 ( 4.286 6.110 0.000) 7.463 9.229 ( 3.327 -2.282 0.000) 4.035 9.238 ( -1.781 -1.904 0.000) 2.607 9.443 ( -16.424 6.904 0.000) 17.816 9.641 ( 4.041 6.681 0.000) 7.808 9.751 ( -7.483 13.297 0.000) 15.258 10.078 ( 7.373 9.372 0.000) 11.925 10.130 ( 1.137 3.563 0.000) 3.740 10.728 ( 12.446 -4.150 0.000) 13.119 10.796 ( 2.864 2.760 0.000) 3.977 11.017 ( -19.579 18.047 0.000) 26.628 11.037 ( -15.995 -6.618 0.000) 17.310 11.341 ( 1.366 -2.032 0.000) 2.449 11.407 ( -4.903 -1.248 0.000) 5.060 11.850 ( 5.753 7.240 0.000) 9.248 11.951 ( -1.646 0.053 0.000) 1.647 12.011 ( 2.268 17.865 0.000) 18.009 12.099 ( -3.522 12.945 0.000) 13.416 12.727 ( 0.815 -22.544 0.000) 22.559 12.748 ( -1.558 -22.081 0.000) 22.136 13.194 ( 0.839 -29.268 0.000) 29.280 13.194 ( 0.765 -29.096 0.000) 29.106 13.419 ( -4.196 14.835 0.000) 15.417 13.421 ( -2.243 6.081 0.000) 6.481 14.142 ( 2.816 -1.472 0.000) 3.178 14.176 ( -0.578 -0.055 0.000) 0.580 14.462 ( 3.585 11.405 0.000) 11.955 14.495 ( -0.904 16.404 0.000) 16.429 15.057 ( 18.548 11.466 0.000) 21.806 15.290 ( -0.806 4.309 0.000) 4.383 15.338 ( -5.146 14.769 0.000) 15.640 15.352 ( -2.518 0.696 0.000) 2.612 15.579 ( 6.557 4.527 0.000) 7.968 15.846 ( -19.798 -1.323 0.000) 19.842 17.330 ( 0.005 6.317 0.000) 6.317 17.333 ( -0.089 6.084 0.000) 6.085 18.238 ( 1.970 -34.864 0.000) 34.920 18.271 ( -1.483 -34.611 0.000) 34.643 18.498 ( 3.742 -17.766 0.000) 18.156 18.599 ( -7.344 -10.661 0.000) 12.946 20.405 ( 7.031 17.993 0.000) 19.317 20.433 ( 8.884 1.848 0.000) 9.074 20.679 ( -4.880 36.390 0.000) 36.716 20.833 ( -14.970 18.765 0.000) 24.005 21.229 ( 0.707 16.348 0.000) 16.363 21.311 ( -7.803 16.070 0.000) 17.864 24.271 ( 16.888 -6.135 0.000) 17.967 24.567 ( -12.957 -7.080 0.000) 14.765 25.764 ( 7.123 -16.591 0.000) 18.056 25.827 ( 2.423 -25.831 0.000) 25.945 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 30.706 0.000) 30.706 1.396 ( 0.000 31.967 0.000) 31.967 2.131 ( 0.000 46.989 0.000) 46.989 2.367 ( 0.000 5.601 0.000) 5.601 2.459 ( 0.000 9.693 0.000) 9.693 2.563 ( 0.000 14.904 0.000) 14.904 2.646 ( 0.000 2.057 0.000) 2.057 2.701 ( 0.000 6.846 0.000) 6.846 2.722 ( 0.000 7.872 0.000) 7.872 2.932 ( 0.000 14.301 0.000) 14.301 3.102 ( 0.000 2.948 0.000) 2.948 3.131 ( 0.000 -0.248 0.000) 0.248 3.156 ( 0.000 5.953 0.000) 5.953 3.287 ( 0.000 11.041 0.000) 11.041 3.361 ( 0.000 5.423 0.000) 5.423 3.613 ( 0.000 11.379 0.000) 11.379 3.615 ( 0.000 16.108 0.000) 16.108 3.737 ( 0.000 9.077 0.000) 9.077 3.917 ( 0.000 2.599 0.000) 2.599 3.945 ( 0.000 -1.688 0.000) 1.688 4.366 ( 0.000 9.371 0.000) 9.371 4.625 ( 0.000 3.906 0.000) 3.906 4.875 ( 0.000 3.610 0.000) 3.610 5.086 ( 0.000 -2.065 0.000) 2.065 5.700 ( 0.000 21.709 0.000) 21.709 5.793 ( 0.000 6.467 0.000) 6.467 5.811 ( 0.000 12.578 0.000) 12.578 5.871 ( 0.000 0.017 0.000) 0.017 6.078 ( 0.000 35.195 0.000) 35.195 6.177 ( 0.000 33.235 0.000) 33.235 6.373 ( 0.000 16.781 0.000) 16.781 6.555 ( 0.000 11.581 0.000) 11.581 6.921 ( 0.000 1.317 0.000) 1.317 7.075 ( 0.000 0.808 0.000) 0.808 7.282 ( 0.000 -0.257 0.000) 0.257 7.445 ( 0.000 11.745 0.000) 11.745 7.714 ( 0.000 12.817 0.000) 12.817 7.724 ( 0.000 8.722 0.000) 8.722 7.858 ( 0.000 -5.625 0.000) 5.625 8.116 ( 0.000 1.928 0.000) 1.928 8.145 ( 0.000 -7.488 0.000) 7.488 8.391 ( 0.000 4.065 0.000) 4.065 8.644 ( 0.000 -6.632 0.000) 6.632 8.913 ( 0.000 15.552 0.000) 15.552 9.013 ( 0.000 -4.670 0.000) 4.670 9.141 ( 0.000 13.218 0.000) 13.218 9.203 ( 0.000 14.146 0.000) 14.146 9.247 ( 0.000 10.700 0.000) 10.700 9.365 ( 0.000 11.038 0.000) 11.038 9.492 ( 0.000 7.026 0.000) 7.026 9.889 ( 0.000 1.485 0.000) 1.485 10.159 ( 0.000 8.044 0.000) 8.044 10.192 ( 0.000 20.006 0.000) 20.006 10.392 ( 0.000 0.801 0.000) 0.801 10.734 ( 0.000 11.183 0.000) 11.183 10.848 ( 0.000 6.363 0.000) 6.363 11.040 ( 0.000 -5.166 0.000) 5.166 11.385 ( 0.000 -4.560 0.000) 4.560 11.477 ( 0.000 -11.419 0.000) 11.419 11.775 ( 0.000 -2.456 0.000) 2.456 11.785 ( 0.000 6.452 0.000) 6.452 11.961 ( 0.000 -13.822 0.000) 13.822 12.108 ( 0.000 5.902 0.000) 5.902 12.272 ( 0.000 12.230 0.000) 12.230 12.324 ( 0.000 -9.657 0.000) 9.657 12.407 ( 0.000 -37.877 0.000) 37.877 12.550 ( 0.000 -10.898 0.000) 10.898 12.557 ( 0.000 -31.969 0.000) 31.969 13.570 ( 0.000 -0.336 0.000) 0.336 13.903 ( 0.000 -7.811 0.000) 7.811 13.968 ( 0.000 -7.245 0.000) 7.245 13.981 ( 0.000 0.761 0.000) 0.761 14.590 ( 0.000 11.866 0.000) 11.866 14.755 ( 0.000 7.360 0.000) 7.360 15.221 ( 0.000 -1.697 0.000) 1.697 15.390 ( 0.000 -0.560 0.000) 0.560 15.416 ( 0.000 20.667 0.000) 20.667 15.736 ( 0.000 12.870 0.000) 12.870 15.855 ( 0.000 0.011 0.000) 0.011 16.239 ( 0.000 -7.273 0.000) 7.273 17.515 ( 0.000 11.082 0.000) 11.082 17.533 ( 0.000 12.442 0.000) 12.442 17.573 ( 0.000 -25.808 0.000) 25.808 17.615 ( 0.000 -32.680 0.000) 32.680 17.936 ( 0.000 -26.978 0.000) 26.978 19.485 ( 0.000 -29.698 0.000) 29.698 19.720 ( 0.000 9.719 0.000) 9.719 20.408 ( 0.000 -3.420 0.000) 3.420 21.605 ( 0.000 27.684 0.000) 27.684 21.698 ( 0.000 16.234 0.000) 16.234 21.741 ( 0.000 23.243 0.000) 23.243 21.936 ( 0.000 5.598 0.000) 5.598 23.911 ( 0.000 3.424 0.000) 3.424 24.390 ( 0.000 -10.029 0.000) 10.029 24.634 ( 0.000 -13.206 0.000) 13.206 25.207 ( 0.000 -19.157 0.000) 19.157 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 9.161 25.910 0.000) 27.481 1.486 ( 8.956 29.444 0.000) 30.775 2.285 ( 11.161 37.982 0.000) 39.588 2.328 ( -8.004 7.157 0.000) 10.737 2.368 ( -9.390 11.597 0.000) 14.922 2.539 ( -7.118 5.598 0.000) 9.056 2.543 ( 1.986 14.424 0.000) 14.560 2.697 ( 4.890 3.359 0.000) 5.932 2.755 ( -1.852 9.512 0.000) 9.691 2.914 ( 1.769 10.127 0.000) 10.280 2.975 ( -6.411 8.223 0.000) 10.427 3.043 ( -6.543 6.646 0.000) 9.327 3.275 ( 6.187 6.161 0.000) 8.731 3.422 ( 7.547 9.266 0.000) 11.950 3.424 ( 0.485 8.325 0.000) 8.339 3.507 ( 0.553 10.072 0.000) 10.087 3.685 ( -4.135 8.109 0.000) 9.102 3.737 ( 5.967 9.456 0.000) 11.181 3.875 ( -7.426 -3.609 0.000) 8.256 3.974 ( 3.120 5.814 0.000) 6.598 4.400 ( 3.174 9.164 0.000) 9.698 4.538 ( -6.630 8.014 0.000) 10.401 4.896 ( 2.322 1.715 0.000) 2.887 5.069 ( -1.891 -1.118 0.000) 2.197 5.712 ( 1.906 19.011 0.000) 19.106 5.811 ( 2.926 4.213 0.000) 5.129 5.891 ( 6.606 13.192 0.000) 14.753 5.966 ( 6.728 1.028 0.000) 6.806 6.055 ( -1.834 33.460 0.000) 33.510 6.186 ( 0.608 34.413 0.000) 34.419 6.324 ( -4.899 16.595 0.000) 17.303 6.487 ( -6.653 15.226 0.000) 16.616 6.985 ( 5.838 0.687 0.000) 5.878 7.113 ( 2.923 -0.386 0.000) 2.948 7.338 ( 5.094 -3.067 0.000) 5.946 7.428 ( -0.686 11.370 0.000) 11.391 7.748 ( 3.330 9.216 0.000) 9.799 7.788 ( 5.894 9.769 0.000) 11.409 7.872 ( 1.615 -6.162 0.000) 6.370 8.011 ( -7.115 5.122 0.000) 8.767 8.172 ( 0.640 -7.859 0.000) 7.885 8.380 ( -2.704 3.811 0.000) 4.673 8.724 ( 6.348 -6.515 0.000) 9.096 8.868 ( -1.627 15.736 0.000) 15.820 8.993 ( -2.137 -3.720 0.000) 4.290 9.157 ( 1.782 12.634 0.000) 12.759 9.236 ( 2.243 8.221 0.000) 8.521 9.251 ( -1.192 6.279 0.000) 6.391 9.379 ( 2.454 16.035 0.000) 16.221 9.577 ( 8.779 9.332 0.000) 12.812 9.853 ( -4.919 4.921 0.000) 6.958 10.111 ( -5.349 6.260 0.000) 8.234 10.261 ( 5.457 20.290 0.000) 21.011 10.356 ( -1.873 4.733 0.000) 5.090 10.633 ( -7.725 6.111 0.000) 9.849 10.812 ( -1.152 6.176 0.000) 6.282 11.030 ( -1.769 -5.077 0.000) 5.376 11.334 ( -4.921 -2.156 0.000) 5.372 11.398 ( -7.071 -7.210 0.000) 10.098 11.769 ( -12.554 4.285 0.000) 13.265 11.823 ( 4.169 -5.581 0.000) 6.967 11.825 ( 0.105 -4.582 0.000) 4.583 12.210 ( 6.535 1.275 0.000) 6.658 12.270 ( -1.744 -19.779 0.000) 19.855 12.292 ( 1.503 9.854 0.000) 9.968 12.471 ( -6.028 -14.774 0.000) 15.956 12.501 ( 5.603 -29.236 0.000) 29.768 12.578 ( 0.914 -26.240 0.000) 26.256 13.523 ( -2.349 0.264 0.000) 2.363 13.911 ( -7.753 4.571 0.000) 9.000 13.951 ( 4.375 -7.910 0.000) 9.039 14.047 ( 4.885 -7.304 0.000) 8.787 14.624 ( 3.373 11.771 0.000) 12.245 14.886 ( 13.331 7.386 0.000) 15.240 15.068 ( -13.960 9.846 0.000) 17.083 15.388 ( -0.154 0.389 0.000) 0.419 15.395 ( -1.792 13.442 0.000) 13.561 15.733 ( -0.241 12.542 0.000) 12.544 15.766 ( -5.486 8.479 0.000) 10.099 16.125 ( -12.145 -5.804 0.000) 13.461 17.485 ( -2.427 -0.549 0.000) 2.488 17.498 ( -1.468 5.251 0.000) 5.452 17.613 ( 1.958 -14.133 0.000) 14.268 17.622 ( 0.560 -26.556 0.000) 26.561 17.973 ( 3.744 -26.137 0.000) 26.404 18.819 ( -35.515 -11.799 0.000) 37.423 20.128 ( 17.204 -5.730 0.000) 18.133 20.425 ( 1.575 -4.890 0.000) 5.137 21.512 ( -12.377 23.020 0.000) 26.136 21.553 ( -6.777 27.769 0.000) 28.584 21.691 ( -2.464 25.252 0.000) 25.372 21.869 ( -6.746 15.880 0.000) 17.253 23.898 ( 6.938 -0.817 0.000) 6.986 24.564 ( -6.758 -12.624 0.000) 14.319 24.871 ( 29.665 -25.151 0.000) 38.892 25.269 ( 5.175 -20.528 0.000) 21.170 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 18.781 15.399 0.000) 24.287 1.728 ( 15.060 23.482 0.000) 27.896 2.003 ( -20.788 8.578 0.000) 22.489 2.056 ( -16.925 16.785 0.000) 23.837 2.524 ( 1.979 6.911 0.000) 7.189 2.524 ( 3.933 11.990 0.000) 12.618 2.650 ( 11.123 19.414 0.000) 22.375 2.712 ( -1.135 10.999 0.000) 11.058 2.738 ( -2.183 5.940 0.000) 6.328 2.874 ( -9.650 8.863 0.000) 13.103 2.997 ( 7.728 13.111 0.000) 15.219 3.003 ( 4.700 10.777 0.000) 11.757 3.283 ( -0.651 15.323 0.000) 15.337 3.438 ( -8.641 12.065 0.000) 14.840 3.479 ( 6.952 3.020 0.000) 7.580 3.590 ( 3.710 9.200 0.000) 9.920 3.613 ( -3.283 7.885 0.000) 8.541 3.668 ( -9.661 4.881 0.000) 10.824 3.864 ( 6.891 3.757 0.000) 7.848 3.975 ( -3.483 2.415 0.000) 4.239 4.458 ( 1.808 7.492 0.000) 7.706 4.467 ( -0.392 8.135 0.000) 8.144 4.955 ( 3.241 1.115 0.000) 3.428 5.016 ( -3.110 0.989 0.000) 3.264 5.778 ( 4.513 15.898 0.000) 16.526 5.853 ( -1.361 6.577 0.000) 6.716 6.022 ( 5.773 11.277 0.000) 12.669 6.039 ( 3.837 27.005 0.000) 27.276 6.090 ( 2.664 2.291 0.000) 3.514 6.193 ( -7.908 19.318 0.000) 20.874 6.202 ( 2.688 34.595 0.000) 34.699 6.327 ( -8.570 21.062 0.000) 22.739 7.102 ( 4.873 -0.580 0.000) 4.907 7.149 ( 0.072 -0.981 0.000) 0.983 7.427 ( 2.606 -0.992 0.000) 2.789 7.433 ( 0.871 7.556 0.000) 7.606 7.847 ( 2.201 3.518 0.000) 4.149 7.847 ( 0.249 3.017 0.000) 3.027 7.937 ( 4.107 7.428 0.000) 8.488 7.961 ( 5.970 -4.516 0.000) 7.485 8.149 ( -2.548 -2.995 0.000) 3.932 8.230 ( -11.062 7.113 0.000) 13.151 8.842 ( 5.203 -6.098 0.000) 8.016 8.914 ( -0.248 -1.729 0.000) 1.747 8.976 ( 6.557 9.079 0.000) 11.200 9.156 ( -7.132 10.298 0.000) 12.527 9.219 ( 2.577 4.690 0.000) 5.352 9.257 ( -0.404 5.965 0.000) 5.978 9.473 ( 6.966 16.900 0.000) 18.279 9.655 ( -10.358 12.878 0.000) 16.526 9.802 ( 9.267 11.280 0.000) 14.598 9.975 ( -7.999 10.981 0.000) 13.586 10.312 ( 0.113 11.404 0.000) 11.405 10.334 ( -2.167 12.936 0.000) 13.116 10.607 ( 8.685 -7.376 0.000) 11.395 10.839 ( -6.512 -4.812 0.000) 8.097 10.972 ( 5.436 8.341 0.000) 9.957 11.194 ( -10.185 3.749 0.000) 10.854 11.313 ( 1.004 -2.299 0.000) 2.508 11.460 ( -14.084 3.851 0.000) 14.601 11.875 ( 2.502 -4.244 0.000) 4.927 11.889 ( 1.561 -7.388 0.000) 7.551 12.253 ( 0.911 -14.016 0.000) 14.045 12.293 ( -2.260 -2.087 0.000) 3.076 12.325 ( 3.627 -4.787 0.000) 6.006 12.372 ( -2.595 -8.468 0.000) 8.856 12.584 ( 2.500 -25.644 0.000) 25.765 12.596 ( 0.702 -24.372 0.000) 24.382 13.533 ( 4.049 5.139 0.000) 6.542 13.695 ( -11.940 10.421 0.000) 15.848 14.043 ( 4.199 -7.493 0.000) 8.589 14.092 ( -0.412 -7.215 0.000) 7.226 14.709 ( 4.932 11.954 0.000) 12.931 14.828 ( -8.501 14.575 0.000) 16.873 15.230 ( 17.827 4.706 0.000) 18.438 15.359 ( -1.845 5.858 0.000) 6.142 15.405 ( 4.646 4.917 0.000) 6.765 15.672 ( -8.655 14.738 0.000) 17.092 15.732 ( 0.319 10.787 0.000) 10.792 15.813 ( -14.218 -1.690 0.000) 14.318 17.460 ( -0.223 -3.120 0.000) 3.128 17.470 ( -1.116 -1.017 0.000) 1.509 17.632 ( 0.423 -19.110 0.000) 19.114 17.635 ( 0.334 -14.670 0.000) 14.674 18.084 ( 7.973 -23.545 0.000) 24.859 18.314 ( -17.037 -18.002 0.000) 24.786 20.368 ( 7.995 -7.992 0.000) 11.305 20.446 ( -0.466 -8.254 0.000) 8.268 21.342 ( -3.868 29.949 0.000) 30.198 21.383 ( -7.520 30.892 0.000) 31.794 21.684 ( 1.306 25.903 0.000) 25.936 21.743 ( -4.938 23.461 0.000) 23.975 24.128 ( 13.942 -7.414 0.000) 15.790 24.384 ( -11.484 -10.888 0.000) 15.826 25.271 ( 11.040 -28.186 0.000) 30.271 25.349 ( 1.538 -24.047 0.000) 24.097 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.814 ( 0.000 28.467 0.000) 28.467 1.967 ( 0.000 26.105 0.000) 26.105 2.549 ( 0.000 12.308 0.000) 12.308 2.640 ( 0.000 9.418 0.000) 9.418 2.717 ( 0.000 5.334 0.000) 5.334 2.824 ( 0.000 18.612 0.000) 18.612 2.850 ( 0.000 7.456 0.000) 7.456 2.879 ( 0.000 7.674 0.000) 7.674 2.976 ( 0.000 -2.254 0.000) 2.254 3.016 ( 0.000 31.049 0.000) 31.049 3.211 ( 0.000 11.134 0.000) 11.134 3.293 ( 0.000 7.995 0.000) 7.995 3.346 ( 0.000 13.729 0.000) 13.729 3.440 ( 0.000 3.177 0.000) 3.177 3.479 ( 0.000 7.209 0.000) 7.209 3.796 ( 0.000 -5.364 0.000) 5.364 3.825 ( 0.000 9.949 0.000) 9.949 3.935 ( 0.000 11.118 0.000) 11.118 3.981 ( 0.000 19.412 0.000) 19.412 4.068 ( 0.000 4.726 0.000) 4.726 4.569 ( 0.000 10.820 0.000) 10.820 4.781 ( 0.000 11.861 0.000) 11.861 4.962 ( 0.000 4.970 0.000) 4.970 5.038 ( 0.000 -2.681 0.000) 2.681 5.832 ( 0.000 -5.683 0.000) 5.683 5.871 ( 0.000 2.154 0.000) 2.154 5.877 ( 0.000 0.743 0.000) 0.743 5.962 ( 0.000 7.422 0.000) 7.422 6.684 ( 0.000 15.527 0.000) 15.527 6.757 ( 0.000 28.613 0.000) 28.613 6.797 ( 0.000 19.489 0.000) 19.489 6.837 ( 0.000 12.438 0.000) 12.438 6.985 ( 0.000 7.861 0.000) 7.861 7.140 ( 0.000 6.024 0.000) 6.024 7.322 ( 0.000 6.024 0.000) 6.024 7.635 ( 0.000 -0.643 0.000) 0.643 7.872 ( 0.000 13.650 0.000) 13.650 7.927 ( 0.000 11.546 0.000) 11.546 7.953 ( 0.000 -10.359 0.000) 10.359 8.017 ( 0.000 17.736 0.000) 17.736 8.229 ( 0.000 9.714 0.000) 9.714 8.498 ( 0.000 8.713 0.000) 8.713 8.587 ( 0.000 1.384 0.000) 1.384 8.984 ( 0.000 1.590 0.000) 1.590 9.237 ( 0.000 15.849 0.000) 15.849 9.456 ( 0.000 19.386 0.000) 19.386 9.483 ( 0.000 13.881 0.000) 13.881 9.493 ( 0.000 12.552 0.000) 12.552 9.604 ( 0.000 13.003 0.000) 13.003 9.681 ( 0.000 12.434 0.000) 12.434 9.964 ( 0.000 6.718 0.000) 6.718 10.202 ( 0.000 2.635 0.000) 2.635 10.416 ( 0.000 4.868 0.000) 4.868 10.651 ( 0.000 22.951 0.000) 22.951 10.932 ( 0.000 4.971 0.000) 4.971 10.968 ( 0.000 -6.779 0.000) 6.779 11.044 ( 0.000 5.988 0.000) 5.988 11.213 ( 0.000 -8.522 0.000) 8.522 11.249 ( 0.000 -10.212 0.000) 10.212 11.521 ( 0.000 -19.338 0.000) 19.338 11.630 ( 0.000 -39.615 0.000) 39.615 11.805 ( 0.000 5.523 0.000) 5.523 11.885 ( 0.000 -25.507 0.000) 25.507 11.980 ( 0.000 6.825 0.000) 6.825 12.236 ( 0.000 6.828 0.000) 6.828 12.382 ( 0.000 12.710 0.000) 12.710 12.384 ( 0.000 -6.734 0.000) 6.734 12.551 ( 0.000 9.634 0.000) 9.634 13.535 ( 0.000 -2.587 0.000) 2.587 13.676 ( 0.000 -14.432 0.000) 14.432 13.797 ( 0.000 -9.994 0.000) 9.994 13.974 ( 0.000 -2.108 0.000) 2.108 14.786 ( 0.000 7.568 0.000) 7.568 14.877 ( 0.000 4.189 0.000) 4.189 15.166 ( 0.000 -3.980 0.000) 3.980 15.417 ( 0.000 4.531 0.000) 4.531 15.775 ( 0.000 15.290 0.000) 15.290 15.871 ( 0.000 2.070 0.000) 2.070 15.976 ( 0.000 10.612 0.000) 10.612 16.066 ( 0.000 -10.573 0.000) 10.573 17.086 ( 0.000 -20.142 0.000) 20.142 17.156 ( 0.000 -16.067 0.000) 16.067 17.379 ( 0.000 -26.650 0.000) 26.650 17.784 ( 0.000 13.826 0.000) 13.826 17.797 ( 0.000 13.712 0.000) 13.712 18.888 ( 0.000 -30.001 0.000) 30.001 19.789 ( 0.000 -1.630 0.000) 1.630 20.211 ( 0.000 -14.482 0.000) 14.482 21.989 ( 0.000 11.689 0.000) 11.689 22.000 ( 0.000 1.077 0.000) 1.077 22.114 ( 0.000 22.782 0.000) 22.782 22.172 ( 0.000 18.262 0.000) 18.262 23.977 ( 0.000 3.069 0.000) 3.069 24.210 ( 0.000 -7.487 0.000) 7.487 24.356 ( 0.000 -14.286 0.000) 14.286 24.794 ( 0.000 -21.965 0.000) 21.965 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.832 25.616 0.000) 25.681 2.020 ( 5.380 24.706 0.000) 25.285 2.502 ( -11.998 9.023 0.000) 15.012 2.566 ( -7.322 10.183 0.000) 12.543 2.651 ( -3.141 7.015 0.000) 7.686 2.753 ( 2.258 5.561 0.000) 6.002 2.788 ( -1.672 16.578 0.000) 16.662 2.904 ( -1.115 6.424 0.000) 6.520 3.049 ( 1.433 21.441 0.000) 21.489 3.063 ( 5.652 7.274 0.000) 9.211 3.222 ( 4.090 22.168 0.000) 22.542 3.263 ( -5.934 11.044 0.000) 12.538 3.384 ( 7.480 6.042 0.000) 9.615 3.506 ( 4.333 1.830 0.000) 4.704 3.621 ( 8.317 10.024 0.000) 13.026 3.744 ( -4.961 11.702 0.000) 12.710 3.774 ( -1.449 -1.771 0.000) 2.288 3.895 ( -3.905 8.480 0.000) 9.336 4.010 ( 1.702 16.821 0.000) 16.907 4.071 ( -0.265 3.411 0.000) 3.421 4.596 ( 2.269 10.224 0.000) 10.473 4.749 ( -3.319 12.985 0.000) 13.402 4.963 ( 0.770 5.203 0.000) 5.260 5.043 ( 0.284 -1.451 0.000) 1.478 5.830 ( 0.391 -4.172 0.000) 4.191 5.876 ( 0.925 2.206 0.000) 2.392 5.931 ( 4.186 -1.552 0.000) 4.465 5.994 ( 2.526 3.396 0.000) 4.232 6.671 ( -2.849 21.084 0.000) 21.276 6.709 ( -5.311 16.757 0.000) 17.578 6.789 ( 4.805 24.712 0.000) 25.175 6.900 ( 3.098 18.263 0.000) 18.524 7.048 ( 5.450 8.610 0.000) 10.190 7.162 ( 2.119 6.103 0.000) 6.461 7.320 ( 0.365 3.007 0.000) 3.029 7.682 ( 3.607 3.878 0.000) 5.297 7.780 ( -6.651 6.758 0.000) 9.482 7.937 ( 1.215 0.689 0.000) 1.397 8.024 ( -0.628 13.434 0.000) 13.449 8.025 ( 4.857 3.151 0.000) 5.790 8.187 ( -1.884 12.523 0.000) 12.664 8.536 ( 2.666 13.569 0.000) 13.829 8.647 ( 5.208 -0.482 0.000) 5.230 8.940 ( -3.681 1.063 0.000) 3.832 9.232 ( -4.085 18.215 0.000) 18.667 9.403 ( 0.312 8.712 0.000) 8.718 9.406 ( -3.527 15.298 0.000) 15.700 9.477 ( -2.338 13.787 0.000) 13.984 9.698 ( 4.817 14.288 0.000) 15.079 9.811 ( 11.837 13.311 0.000) 17.813 9.990 ( 1.347 9.157 0.000) 9.256 10.195 ( -0.301 5.055 0.000) 5.064 10.404 ( 0.109 4.786 0.000) 4.787 10.620 ( -4.482 16.565 0.000) 17.160 10.773 ( -13.205 4.278 0.000) 13.880 10.928 ( -1.375 0.404 0.000) 1.433 11.080 ( -0.154 6.448 0.000) 6.450 11.169 ( -1.797 -13.092 0.000) 13.214 11.249 ( -1.769 -8.658 0.000) 8.837 11.481 ( -2.457 -24.681 0.000) 24.803 11.669 ( 2.395 -29.620 0.000) 29.716 11.779 ( -2.252 1.505 0.000) 2.708 11.870 ( -1.432 -24.269 0.000) 24.311 11.921 ( -5.424 5.941 0.000) 8.045 12.290 ( 2.867 8.648 0.000) 9.111 12.335 ( -3.555 -4.665 0.000) 5.865 12.369 ( 1.029 6.174 0.000) 6.259 12.584 ( 1.515 8.029 0.000) 8.171 13.509 ( 0.444 -1.339 0.000) 1.411 13.718 ( 3.484 -13.953 0.000) 14.381 13.874 ( 4.772 -9.988 0.000) 11.069 13.958 ( -1.882 -0.779 0.000) 2.037 14.814 ( 2.729 6.949 0.000) 7.465 14.998 ( 11.937 3.622 0.000) 12.474 15.114 ( -5.084 -1.878 0.000) 5.419 15.439 ( 2.323 5.803 0.000) 6.251 15.703 ( -6.834 14.229 0.000) 15.786 15.881 ( 0.845 4.581 0.000) 4.658 15.968 ( -0.754 10.363 0.000) 10.390 15.986 ( -7.978 -8.100 0.000) 11.369 17.079 ( -0.485 -19.676 0.000) 19.682 17.139 ( -1.640 -15.802 0.000) 15.887 17.428 ( 5.010 -25.691 0.000) 26.175 17.791 ( 0.645 13.511 0.000) 13.527 17.795 ( -0.339 13.018 0.000) 13.023 18.474 ( -31.082 -20.587 0.000) 37.282 19.983 ( 12.139 -9.110 0.000) 15.177 20.213 ( 0.179 -14.698 0.000) 14.699 21.878 ( -4.913 13.200 0.000) 14.085 22.057 ( -6.291 21.702 0.000) 22.595 22.080 ( 2.485 6.579 0.000) 7.033 22.148 ( -1.319 19.409 0.000) 19.454 23.915 ( 0.477 2.088 0.000) 2.142 24.302 ( -5.128 -13.260 0.000) 14.218 24.482 ( 18.245 -15.312 0.000) 23.819 24.837 ( 3.340 -22.495 0.000) 22.742 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 9.069 17.771 0.000) 19.951 2.168 ( 6.753 20.099 0.000) 21.203 2.180 ( -13.539 10.250 0.000) 16.981 2.377 ( -10.999 15.392 0.000) 18.918 2.694 ( 3.415 10.679 0.000) 11.212 2.743 ( -1.589 11.601 0.000) 11.710 2.827 ( 2.991 6.732 0.000) 7.366 2.874 ( -1.882 6.814 0.000) 7.069 3.058 ( 1.170 15.471 0.000) 15.516 3.119 ( -3.776 12.408 0.000) 12.970 3.212 ( 5.395 10.447 0.000) 11.758 3.311 ( -0.400 17.180 0.000) 17.185 3.527 ( 2.241 3.852 0.000) 4.456 3.568 ( 10.483 11.264 0.000) 15.387 3.624 ( -5.497 5.664 0.000) 7.893 3.755 ( 4.744 8.755 0.000) 9.957 3.773 ( -8.829 9.467 0.000) 12.945 3.807 ( 1.220 8.782 0.000) 8.866 4.034 ( 0.772 12.329 0.000) 12.354 4.051 ( -1.303 4.313 0.000) 4.505 4.637 ( 1.752 9.958 0.000) 10.111 4.678 ( -2.995 12.435 0.000) 12.791 4.999 ( 2.435 3.854 0.000) 4.559 5.037 ( -1.161 1.272 0.000) 1.722 5.855 ( 1.889 -3.434 0.000) 3.919 5.884 ( -0.602 -1.412 0.000) 1.535 6.009 ( 3.071 -2.245 0.000) 3.804 6.032 ( 0.748 -1.001 0.000) 1.250 6.611 ( -1.914 20.249 0.000) 20.339 6.622 ( -3.008 18.022 0.000) 18.271 6.896 ( 4.345 31.510 0.000) 31.808 6.934 ( 0.158 27.757 0.000) 27.758 7.155 ( 4.523 7.799 0.000) 9.015 7.198 ( 0.347 6.565 0.000) 6.574 7.379 ( 6.866 -3.007 0.000) 7.496 7.568 ( -10.793 4.721 0.000) 11.780 7.828 ( 6.744 -5.818 0.000) 8.906 7.933 ( -2.849 -6.981 0.000) 7.540 8.008 ( -0.131 12.213 0.000) 12.214 8.030 ( -2.341 14.289 0.000) 14.480 8.291 ( 11.081 17.154 0.000) 20.422 8.503 ( -7.803 20.350 0.000) 21.795 8.757 ( 5.493 -2.018 0.000) 5.852 8.855 ( -4.735 -1.258 0.000) 4.899 9.196 ( 3.654 12.147 0.000) 12.685 9.317 ( -6.234 12.260 0.000) 13.754 9.439 ( -0.336 11.997 0.000) 12.002 9.445 ( 0.786 11.538 0.000) 11.564 9.792 ( 6.142 14.016 0.000) 15.302 9.929 ( -5.755 14.683 0.000) 15.771 10.082 ( 11.351 16.033 0.000) 19.644 10.198 ( -0.365 12.075 0.000) 12.080 10.483 ( 2.484 -3.907 0.000) 4.630 10.489 ( -6.209 7.327 0.000) 9.605 10.554 ( -0.186 9.083 0.000) 9.085 10.802 ( -13.888 2.857 0.000) 14.179 11.074 ( 3.848 -5.626 0.000) 6.816 11.172 ( -5.268 -7.854 0.000) 9.457 11.250 ( 7.878 -5.032 0.000) 9.348 11.408 ( -6.392 -15.972 0.000) 17.204 11.706 ( 1.534 -18.830 0.000) 18.893 11.737 ( -1.796 -7.688 0.000) 7.895 11.827 ( -2.424 -4.114 0.000) 4.775 11.833 ( -1.973 -19.037 0.000) 19.139 12.282 ( -1.433 -0.649 0.000) 1.573 12.282 ( -1.201 4.948 0.000) 5.091 12.471 ( 6.472 2.005 0.000) 6.776 12.570 ( -3.120 4.279 0.000) 5.296 13.599 ( 8.010 0.459 0.000) 8.024 13.741 ( -3.629 -7.601 0.000) 8.423 13.918 ( -0.582 -2.647 0.000) 2.710 13.925 ( 0.372 -8.828 0.000) 8.836 14.886 ( 4.591 5.343 0.000) 7.044 14.994 ( -6.339 2.656 0.000) 6.873 15.294 ( 16.202 2.233 0.000) 16.355 15.522 ( 7.043 7.661 0.000) 10.406 15.541 ( -9.385 10.572 0.000) 14.137 15.746 ( -14.059 -2.192 0.000) 14.229 15.918 ( 1.431 8.319 0.000) 8.441 15.947 ( -1.352 9.605 0.000) 9.700 17.078 ( 0.531 -18.028 0.000) 18.036 17.102 ( -1.820 -16.183 0.000) 16.285 17.577 ( 10.428 -22.193 0.000) 24.521 17.768 ( -3.991 5.545 0.000) 6.832 17.810 ( 1.614 11.877 0.000) 11.986 17.950 ( -18.678 -12.526 0.000) 22.489 20.153 ( 5.261 -13.227 0.000) 14.234 20.209 ( -1.059 -14.739 0.000) 14.777 21.833 ( 0.878 19.224 0.000) 19.244 21.914 ( -6.824 21.673 0.000) 22.722 22.108 ( 0.922 12.895 0.000) 12.928 22.126 ( -0.985 17.709 0.000) 17.736 24.011 ( 7.791 -4.158 0.000) 8.831 24.172 ( -7.910 -9.941 0.000) 12.704 24.772 ( 10.229 -22.166 0.000) 24.413 24.874 ( -0.748 -23.349 0.000) 23.361 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.000 24.437 0.000) 24.437 2.418 ( 0.000 19.885 0.000) 19.885 2.813 ( 0.000 8.154 0.000) 8.154 2.817 ( 0.000 14.141 0.000) 14.141 2.848 ( 0.000 7.617 0.000) 7.617 2.877 ( 0.000 -3.180 0.000) 3.180 2.996 ( 0.000 3.391 0.000) 3.391 3.047 ( 0.000 7.888 0.000) 7.888 3.111 ( 0.000 10.924 0.000) 10.924 3.277 ( 0.000 7.677 0.000) 7.677 3.464 ( 0.000 8.465 0.000) 8.465 3.492 ( 0.000 2.762 0.000) 2.762 3.524 ( 0.000 -1.422 0.000) 1.422 3.547 ( 0.000 6.900 0.000) 6.900 3.749 ( 0.000 29.956 0.000) 29.956 3.749 ( 0.000 -0.567 0.000) 0.567 3.991 ( 0.000 6.955 0.000) 6.955 4.138 ( 0.000 3.487 0.000) 3.487 4.162 ( 0.000 11.363 0.000) 11.363 4.335 ( 0.000 16.137 0.000) 16.137 4.775 ( 0.000 9.905 0.000) 9.905 4.988 ( 0.000 -2.212 0.000) 2.212 5.046 ( 0.000 13.464 0.000) 13.464 5.061 ( 0.000 5.059 0.000) 5.059 5.712 ( 0.000 -4.483 0.000) 4.483 5.888 ( 0.000 -0.006 0.000) 0.006 5.908 ( 0.000 2.624 0.000) 2.624 6.068 ( 0.000 4.112 0.000) 4.112 6.840 ( 0.000 3.922 0.000) 3.922 6.983 ( 0.000 5.586 0.000) 5.586 7.021 ( 0.000 7.660 0.000) 7.660 7.092 ( 0.000 8.020 0.000) 8.020 7.189 ( 0.000 -3.575 0.000) 3.575 7.283 ( 0.000 16.262 0.000) 16.262 7.544 ( 0.000 13.702 0.000) 13.702 7.552 ( 0.000 -4.088 0.000) 4.088 7.862 ( 0.000 2.900 0.000) 2.900 8.127 ( 0.000 7.371 0.000) 7.371 8.158 ( 0.000 11.639 0.000) 11.639 8.391 ( 0.000 19.776 0.000) 19.776 8.487 ( 0.000 15.937 0.000) 15.937 8.689 ( 0.000 8.383 0.000) 8.383 8.806 ( 0.000 22.330 0.000) 22.330 9.028 ( 0.000 1.477 0.000) 1.477 9.482 ( 0.000 8.580 0.000) 8.580 9.657 ( 0.000 4.091 0.000) 4.091 9.701 ( 0.000 7.679 0.000) 7.679 9.788 ( 0.000 10.441 0.000) 10.441 9.875 ( 0.000 14.696 0.000) 14.696 10.064 ( 0.000 26.049 0.000) 26.049 10.111 ( 0.000 6.371 0.000) 6.371 10.329 ( 0.000 5.598 0.000) 5.598 10.655 ( 0.000 17.377 0.000) 17.377 10.685 ( 0.000 -17.140 0.000) 17.140 10.758 ( 0.000 -22.113 0.000) 22.113 10.772 ( 0.000 -33.603 0.000) 33.603 10.848 ( 0.000 -11.609 0.000) 11.609 11.123 ( 0.000 -13.105 0.000) 13.105 11.141 ( 0.000 23.996 0.000) 23.996 11.234 ( 0.000 4.154 0.000) 4.154 11.295 ( 0.000 -2.509 0.000) 2.509 11.762 ( 0.000 7.601 0.000) 7.601 11.978 ( 0.000 9.563 0.000) 9.563 12.140 ( 0.000 10.158 0.000) 10.158 12.306 ( 0.000 1.670 0.000) 1.670 12.359 ( 0.000 5.119 0.000) 5.119 12.669 ( 0.000 2.037 0.000) 2.037 12.707 ( 0.000 17.892 0.000) 17.892 13.347 ( 0.000 -18.726 0.000) 18.726 13.484 ( 0.000 -2.474 0.000) 2.474 13.587 ( 0.000 -11.067 0.000) 11.067 13.901 ( 0.000 -5.237 0.000) 5.237 14.869 ( 0.000 0.841 0.000) 0.841 14.891 ( 0.000 -2.935 0.000) 2.935 15.068 ( 0.000 -5.718 0.000) 5.718 15.601 ( 0.000 14.093 0.000) 14.093 15.819 ( 0.000 -13.935 0.000) 13.935 15.950 ( 0.000 6.084 0.000) 6.084 16.011 ( 0.000 8.726 0.000) 8.726 16.130 ( 0.000 5.309 0.000) 5.309 16.852 ( 0.000 -4.232 0.000) 4.232 16.899 ( 0.000 -21.059 0.000) 21.059 16.960 ( 0.000 -4.171 0.000) 4.171 17.992 ( 0.000 -0.234 0.000) 0.234 18.075 ( 0.000 15.366 0.000) 15.366 18.403 ( 0.000 -12.736 0.000) 12.736 19.688 ( 0.000 -8.029 0.000) 8.029 19.891 ( 0.000 -17.296 0.000) 17.296 21.989 ( 0.000 -1.876 0.000) 1.876 22.119 ( 0.000 1.649 0.000) 1.649 22.408 ( 0.000 5.467 0.000) 5.467 22.454 ( 0.000 11.049 0.000) 11.049 24.022 ( 0.000 1.392 0.000) 1.392 24.104 ( 0.000 -10.785 0.000) 10.785 24.111 ( 0.000 -2.825 0.000) 2.825 24.384 ( 0.000 -18.947 0.000) 18.947 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -2.631 22.853 0.000) 23.004 2.447 ( 2.941 18.712 0.000) 18.942 2.616 ( -14.804 3.450 0.000) 15.201 2.759 ( -4.516 9.420 0.000) 10.446 2.857 ( 2.914 12.757 0.000) 13.086 2.876 ( 1.944 6.791 0.000) 7.064 3.028 ( -1.191 5.766 0.000) 5.888 3.081 ( -2.569 12.740 0.000) 12.996 3.188 ( 9.136 4.470 0.000) 10.171 3.276 ( 0.140 7.653 0.000) 7.655 3.415 ( -4.461 5.187 0.000) 6.842 3.496 ( 2.629 3.718 0.000) 4.553 3.545 ( 4.325 4.708 0.000) 6.394 3.724 ( 2.950 -2.522 0.000) 3.881 3.772 ( 9.617 4.073 0.000) 10.444 3.779 ( 1.970 26.900 0.000) 26.972 3.934 ( -3.249 7.360 0.000) 8.045 4.065 ( -5.680 6.150 0.000) 8.372 4.153 ( -2.230 7.519 0.000) 7.842 4.336 ( -0.906 15.420 0.000) 15.446 4.784 ( 1.132 8.528 0.000) 8.603 5.003 ( -3.116 11.324 0.000) 11.745 5.021 ( 3.030 -0.227 0.000) 3.038 5.099 ( 2.074 8.734 0.000) 8.976 5.720 ( 0.976 -4.541 0.000) 4.645 5.867 ( -1.596 -1.355 0.000) 2.094 5.953 ( 3.254 2.350 0.000) 4.014 6.054 ( -1.160 2.611 0.000) 2.857 6.923 ( 3.691 7.804 0.000) 8.633 6.930 ( -4.371 7.964 0.000) 9.085 6.968 ( -1.210 -0.565 0.000) 1.336 7.077 ( 5.437 5.966 0.000) 8.071 7.339 ( 8.154 4.663 0.000) 9.393 7.344 ( 5.060 14.259 0.000) 15.131 7.502 ( -3.207 14.032 0.000) 14.394 7.603 ( 4.475 -3.740 0.000) 5.832 7.834 ( -2.208 -1.516 0.000) 2.678 8.006 ( -11.595 8.097 0.000) 14.143 8.278 ( 9.071 14.528 0.000) 17.128 8.362 ( -1.953 20.559 0.000) 20.651 8.492 ( 2.234 17.836 0.000) 17.975 8.711 ( 2.200 6.567 0.000) 6.925 8.891 ( 5.489 19.438 0.000) 20.198 8.988 ( -2.704 3.787 0.000) 4.653 9.555 ( -6.883 9.439 0.000) 11.681 9.581 ( 4.952 12.970 0.000) 13.884 9.708 ( 1.936 11.080 0.000) 11.248 9.727 ( -4.925 11.000 0.000) 12.052 9.884 ( -1.002 6.763 0.000) 6.837 10.039 ( 3.634 7.419 0.000) 8.261 10.204 ( 4.139 14.058 0.000) 14.654 10.370 ( 3.851 5.418 0.000) 6.647 10.629 ( -3.008 7.842 0.000) 8.399 10.666 ( -2.154 -13.051 0.000) 13.228 10.737 ( -3.229 -9.187 0.000) 9.738 10.770 ( 0.958 -21.990 0.000) 22.010 10.845 ( -1.246 -19.312 0.000) 19.352 11.005 ( -4.938 -13.232 0.000) 14.123 11.046 ( -8.765 11.844 0.000) 14.735 11.182 ( -5.204 10.228 0.000) 11.476 11.405 ( 6.809 -3.742 0.000) 7.769 11.756 ( -0.730 8.683 0.000) 8.713 11.922 ( -5.342 9.777 0.000) 11.141 12.080 ( -5.501 9.933 0.000) 11.355 12.285 ( -0.246 0.941 0.000) 0.972 12.413 ( 4.890 4.618 0.000) 6.726 12.614 ( -8.061 14.655 0.000) 16.726 12.676 ( -0.723 1.576 0.000) 1.734 13.412 ( 5.297 -16.481 0.000) 17.311 13.463 ( 0.951 -3.972 0.000) 4.084 13.681 ( 6.172 -8.793 0.000) 10.744 13.903 ( -0.142 -4.564 0.000) 4.567 14.882 ( 1.385 0.279 0.000) 1.413 15.004 ( 10.808 -3.389 0.000) 11.327 15.042 ( -2.472 -4.821 0.000) 5.418 15.640 ( 3.893 14.472 0.000) 14.986 15.749 ( -7.170 -12.286 0.000) 14.225 15.929 ( -2.263 7.898 0.000) 8.216 16.019 ( 0.886 7.446 0.000) 7.498 16.117 ( -1.303 5.056 0.000) 5.222 16.848 ( 0.543 -5.004 0.000) 5.034 16.949 ( -1.079 -3.863 0.000) 4.011 16.965 ( 6.017 -19.585 0.000) 20.488 17.880 ( -14.209 -12.788 0.000) 19.116 18.081 ( 0.563 15.400 0.000) 15.410 18.232 ( -10.284 5.252 0.000) 11.547 19.776 ( 6.370 -11.830 0.000) 13.436 19.894 ( 0.246 -17.174 0.000) 17.176 22.003 ( 1.731 0.819 0.000) 1.915 22.163 ( 4.073 1.530 0.000) 4.351 22.339 ( -6.312 6.500 0.000) 9.061 22.432 ( -2.428 9.330 0.000) 9.641 23.961 ( -1.923 2.130 0.000) 2.870 24.073 ( -2.694 -9.554 0.000) 9.927 24.255 ( 9.500 -8.174 0.000) 12.532 24.425 ( 3.176 -18.730 0.000) 18.997 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 1.040 17.793 0.000) 17.824 2.372 ( -8.863 10.031 0.000) 13.386 2.535 ( 5.323 16.435 0.000) 17.275 2.651 ( -6.176 12.627 0.000) 14.057 2.917 ( 2.077 6.456 0.000) 6.782 2.922 ( 2.645 11.404 0.000) 11.707 2.999 ( -0.983 6.265 0.000) 6.341 3.027 ( -2.807 12.248 0.000) 12.565 3.285 ( 0.768 8.277 0.000) 8.312 3.300 ( 0.490 6.037 0.000) 6.057 3.397 ( 5.069 7.728 0.000) 9.242 3.516 ( -3.654 1.120 0.000) 3.822 3.604 ( 3.177 8.014 0.000) 8.621 3.684 ( -3.886 1.655 0.000) 4.224 3.821 ( 4.492 12.101 0.000) 12.908 3.939 ( -6.484 7.215 0.000) 9.700 3.958 ( 4.549 11.528 0.000) 12.393 4.015 ( 6.206 9.356 0.000) 11.227 4.102 ( 1.840 2.236 0.000) 2.896 4.262 ( -7.122 9.303 0.000) 11.717 4.832 ( 3.934 10.043 0.000) 10.786 4.924 ( -4.860 12.172 0.000) 13.106 5.085 ( 2.960 4.176 0.000) 5.119 5.120 ( -0.339 8.189 0.000) 8.196 5.757 ( 2.857 -4.545 0.000) 5.368 5.820 ( -3.122 -3.352 0.000) 4.581 6.008 ( 1.969 0.692 0.000) 2.087 6.033 ( -0.955 0.397 0.000) 1.034 6.850 ( -2.411 6.406 0.000) 6.844 6.855 ( -2.578 7.732 0.000) 8.150 7.199 ( 13.546 4.906 0.000) 14.407 7.205 ( 6.758 7.689 0.000) 10.237 7.365 ( -3.291 3.165 0.000) 4.566 7.418 ( 0.066 8.667 0.000) 8.667 7.535 ( 5.658 19.921 0.000) 20.709 7.679 ( -1.735 0.089 0.000) 1.737 7.743 ( -8.472 7.342 0.000) 11.211 7.781 ( -3.311 -6.743 0.000) 7.512 8.344 ( 0.234 20.021 0.000) 20.022 8.357 ( -0.285 18.086 0.000) 18.088 8.673 ( 13.990 17.697 0.000) 22.559 8.779 ( 5.126 6.002 0.000) 7.893 8.861 ( -5.668 1.318 0.000) 5.819 8.945 ( -7.628 21.832 0.000) 23.126 9.474 ( 4.259 15.808 0.000) 16.371 9.633 ( -8.428 17.131 0.000) 19.092 9.655 ( -1.368 10.144 0.000) 10.236 9.672 ( -0.916 11.430 0.000) 11.466 9.940 ( 10.096 1.333 0.000) 10.184 10.166 ( -8.992 6.362 0.000) 11.015 10.259 ( 15.620 -1.154 0.000) 15.662 10.443 ( 1.769 0.789 0.000) 1.937 10.549 ( -3.378 3.462 0.000) 4.837 10.575 ( -7.564 1.715 0.000) 7.755 10.707 ( 1.605 6.734 0.000) 6.922 10.773 ( -2.061 -14.000 0.000) 14.151 10.820 ( -0.352 -23.188 0.000) 23.191 10.860 ( -6.973 -9.181 0.000) 11.529 10.994 ( 2.132 -7.768 0.000) 8.055 11.067 ( -5.366 6.947 0.000) 8.778 11.535 ( 6.932 0.383 0.000) 6.942 11.681 ( -7.354 7.740 0.000) 10.676 11.871 ( 1.924 8.336 0.000) 8.555 11.958 ( -6.123 10.024 0.000) 11.746 12.327 ( 4.334 4.692 0.000) 6.388 12.448 ( -7.875 9.546 0.000) 12.375 12.522 ( 5.625 3.167 0.000) 6.455 12.622 ( -4.380 1.552 0.000) 4.647 13.503 ( 3.060 -13.812 0.000) 14.147 13.511 ( 2.148 -8.924 0.000) 9.179 13.792 ( 5.204 -4.679 0.000) 6.998 13.876 ( -2.982 -3.219 0.000) 4.388 14.922 ( 2.629 -1.034 0.000) 2.825 14.982 ( -3.384 -2.843 0.000) 4.420 15.268 ( 14.988 -5.431 0.000) 15.942 15.549 ( -12.906 -8.731 0.000) 15.582 15.743 ( 6.141 14.327 0.000) 15.588 15.857 ( -5.047 11.595 0.000) 12.645 16.046 ( 1.751 5.646 0.000) 5.911 16.083 ( -1.969 4.866 0.000) 5.249 16.877 ( 2.097 -3.173 0.000) 3.804 16.919 ( -1.964 -3.165 0.000) 3.724 17.143 ( 12.880 -19.726 0.000) 23.559 17.483 ( -21.487 -18.808 0.000) 28.556 18.097 ( 1.099 15.512 0.000) 15.551 18.127 ( -2.365 15.281 0.000) 15.463 19.869 ( 2.836 -15.266 0.000) 15.527 19.896 ( -0.291 -16.666 0.000) 16.668 22.067 ( 4.994 4.861 0.000) 6.969 22.194 ( -7.617 6.775 0.000) 10.194 22.260 ( 5.467 3.224 0.000) 6.347 22.361 ( -4.609 6.402 0.000) 7.888 23.964 ( 1.843 -0.979 0.000) 2.087 24.015 ( -3.022 -5.845 0.000) 6.580 24.412 ( 5.742 -14.498 0.000) 15.594 24.466 ( 0.191 -17.746 0.000) 17.747 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.730 ( 0.000 8.369 0.000) 8.369 2.756 ( 0.000 17.639 0.000) 17.639 2.835 ( 0.000 3.126 0.000) 3.126 2.954 ( 0.000 6.025 0.000) 6.025 2.981 ( 0.000 -4.303 0.000) 4.303 3.004 ( 0.000 8.460 0.000) 8.460 3.070 ( 0.000 10.315 0.000) 10.315 3.197 ( 0.000 7.059 0.000) 7.059 3.244 ( 0.000 3.737 0.000) 3.737 3.442 ( 0.000 8.083 0.000) 8.083 3.504 ( 0.000 -0.024 0.000) 0.024 3.516 ( 0.000 1.493 0.000) 1.493 3.635 ( 0.000 2.474 0.000) 2.474 3.650 ( 0.000 8.556 0.000) 8.556 3.701 ( 0.000 -4.723 0.000) 4.723 4.030 ( 0.000 0.442 0.000) 0.442 4.228 ( 0.000 5.576 0.000) 5.576 4.295 ( 0.000 21.786 0.000) 21.786 4.352 ( 0.000 7.500 0.000) 7.500 4.605 ( 0.000 11.421 0.000) 11.421 4.942 ( 0.000 6.660 0.000) 6.660 4.962 ( 0.000 -0.272 0.000) 0.272 5.159 ( 0.000 4.854 0.000) 4.854 5.243 ( 0.000 5.777 0.000) 5.777 5.720 ( 0.000 5.815 0.000) 5.815 5.890 ( 0.000 0.588 0.000) 0.588 5.969 ( 0.000 2.735 0.000) 2.735 6.129 ( 0.000 1.889 0.000) 1.889 6.906 ( 0.000 3.489 0.000) 3.489 7.102 ( 0.000 6.735 0.000) 6.735 7.114 ( 0.000 -0.007 0.000) 0.007 7.168 ( 0.000 7.343 0.000) 7.343 7.191 ( 0.000 3.160 0.000) 3.160 7.532 ( 0.000 2.905 0.000) 2.905 7.558 ( 0.000 12.043 0.000) 12.043 7.749 ( 0.000 6.293 0.000) 6.293 8.005 ( 0.000 9.658 0.000) 9.658 8.180 ( 0.000 -0.642 0.000) 0.642 8.375 ( 0.000 10.090 0.000) 10.090 8.741 ( 0.000 11.742 0.000) 11.742 8.820 ( 0.000 17.180 0.000) 17.180 8.879 ( 0.000 9.780 0.000) 9.780 9.030 ( 0.000 1.360 0.000) 1.360 9.256 ( 0.000 20.120 0.000) 20.120 9.592 ( 0.000 4.197 0.000) 4.197 9.692 ( 0.000 0.307 0.000) 0.307 9.714 ( 0.000 -24.754 0.000) 24.754 9.814 ( 0.000 3.673 0.000) 3.673 9.971 ( 0.000 -27.398 0.000) 27.398 10.129 ( 0.000 5.165 0.000) 5.165 10.155 ( 0.000 -1.347 0.000) 1.347 10.184 ( 0.000 -0.049 0.000) 0.049 10.423 ( 0.000 -3.184 0.000) 3.184 10.636 ( 0.000 -6.376 0.000) 6.376 10.768 ( 0.000 11.597 0.000) 11.597 10.783 ( 0.000 17.831 0.000) 17.831 10.865 ( 0.000 1.480 0.000) 1.480 10.895 ( 0.000 -3.599 0.000) 3.599 11.260 ( 0.000 -1.920 0.000) 1.920 11.459 ( 0.000 18.172 0.000) 18.172 11.548 ( 0.000 10.631 0.000) 10.631 11.998 ( 0.000 18.977 0.000) 18.977 12.059 ( 0.000 1.647 0.000) 1.647 12.374 ( 0.000 13.082 0.000) 13.082 12.409 ( 0.000 -0.965 0.000) 0.965 12.536 ( 0.000 17.013 0.000) 17.013 12.637 ( 0.000 -4.679 0.000) 4.679 12.973 ( 0.000 -17.791 0.000) 17.791 13.016 ( 0.000 12.677 0.000) 12.677 13.382 ( 0.000 -9.167 0.000) 9.167 13.434 ( 0.000 -2.991 0.000) 2.991 13.775 ( 0.000 -7.475 0.000) 7.475 14.787 ( 0.000 -6.397 0.000) 6.397 14.830 ( 0.000 -4.371 0.000) 4.371 14.966 ( 0.000 -3.840 0.000) 3.840 15.535 ( 0.000 -14.379 0.000) 14.379 15.933 ( 0.000 18.417 0.000) 18.417 16.101 ( 0.000 8.858 0.000) 8.858 16.153 ( 0.000 6.567 0.000) 6.567 16.216 ( 0.000 4.201 0.000) 4.201 16.590 ( 0.000 -9.907 0.000) 9.907 16.845 ( 0.000 1.156 0.000) 1.156 16.953 ( 0.000 2.215 0.000) 2.215 17.697 ( 0.000 -20.210 0.000) 20.210 18.379 ( 0.000 15.494 0.000) 15.494 18.490 ( 0.000 12.293 0.000) 12.293 19.494 ( 0.000 -11.409 0.000) 11.409 19.555 ( 0.000 -16.630 0.000) 16.630 21.943 ( 0.000 -2.419 0.000) 2.419 22.083 ( 0.000 -4.306 0.000) 4.306 22.412 ( 0.000 -3.647 0.000) 3.647 22.539 ( 0.000 -1.843 0.000) 1.843 23.943 ( 0.000 -5.876 0.000) 5.876 24.033 ( 0.000 -0.105 0.000) 0.105 24.078 ( 0.000 -1.081 0.000) 1.081 24.080 ( 0.000 -11.713 0.000) 11.713 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -6.759 2.787 0.000) 7.310 2.706 ( -4.625 17.615 0.000) 18.212 2.787 ( 0.439 13.911 0.000) 13.918 2.932 ( -2.239 8.101 0.000) 8.405 3.005 ( 0.407 6.269 0.000) 6.283 3.075 ( 1.529 0.558 0.000) 1.628 3.095 ( 2.661 7.270 0.000) 7.741 3.243 ( 6.237 3.029 0.000) 6.934 3.257 ( 0.637 5.189 0.000) 5.228 3.419 ( -1.797 6.959 0.000) 7.188 3.505 ( -0.822 4.058 0.000) 4.140 3.506 ( -0.020 -0.718 0.000) 0.718 3.676 ( 2.128 -2.695 0.000) 3.434 3.686 ( 3.252 7.199 0.000) 7.899 3.773 ( 8.470 -2.506 0.000) 8.834 4.015 ( -1.861 0.556 0.000) 1.942 4.183 ( -3.775 6.825 0.000) 7.800 4.222 ( -4.724 18.081 0.000) 18.688 4.317 ( -3.338 7.293 0.000) 8.021 4.586 ( -5.465 9.254 0.000) 10.747 4.924 ( 3.569 6.469 0.000) 7.388 5.065 ( 6.482 4.681 0.000) 7.995 5.171 ( 0.445 6.670 0.000) 6.685 5.263 ( 1.859 6.133 0.000) 6.408 5.714 ( -0.446 4.480 0.000) 4.502 5.861 ( -2.802 0.751 0.000) 2.901 5.985 ( 1.131 0.448 0.000) 1.217 6.094 ( -3.114 1.249 0.000) 3.355 6.961 ( 2.210 2.397 0.000) 3.261 7.055 ( 2.943 6.046 0.000) 6.724 7.080 ( -4.025 7.661 0.000) 8.654 7.192 ( 4.697 5.479 0.000) 7.217 7.360 ( 10.354 -0.415 0.000) 10.363 7.518 ( 1.800 5.070 0.000) 5.380 7.646 ( 3.694 8.350 0.000) 9.130 7.718 ( -2.281 7.620 0.000) 7.954 7.902 ( -6.936 6.521 0.000) 9.520 8.102 ( -6.946 2.182 0.000) 7.281 8.551 ( 12.763 12.526 0.000) 17.883 8.737 ( -0.581 13.173 0.000) 13.186 8.839 ( 0.583 14.504 0.000) 14.516 8.884 ( 3.056 12.030 0.000) 12.413 8.980 ( -4.566 1.123 0.000) 4.702 9.300 ( 3.207 16.563 0.000) 16.870 9.670 ( 7.168 3.387 0.000) 7.928 9.718 ( 0.809 -20.808 0.000) 20.823 9.770 ( -2.340 6.167 0.000) 6.596 9.819 ( 10.953 1.134 0.000) 11.011 9.968 ( 0.185 -27.414 0.000) 27.415 10.040 ( -7.039 0.636 0.000) 7.068 10.086 ( -5.831 9.907 0.000) 11.496 10.224 ( 0.974 -5.428 0.000) 5.515 10.405 ( -0.499 -9.315 0.000) 9.329 10.477 ( -12.036 0.046 0.000) 12.036 10.740 ( -8.107 -9.850 0.000) 12.757 10.797 ( 2.437 10.563 0.000) 10.840 10.873 ( 3.605 5.894 0.000) 6.909 10.995 ( 7.586 15.523 0.000) 17.278 11.129 ( -12.860 -1.016 0.000) 12.901 11.499 ( -5.187 12.677 0.000) 13.697 11.519 ( 5.830 15.808 0.000) 16.848 11.947 ( -1.229 8.996 0.000) 9.079 12.107 ( -1.086 11.809 0.000) 11.859 12.278 ( -6.227 7.853 0.000) 10.022 12.404 ( -5.301 7.242 0.000) 8.975 12.491 ( 4.768 4.204 0.000) 6.356 12.689 ( 0.659 2.222 0.000) 2.318 12.790 ( -10.727 -0.693 0.000) 10.749 13.165 ( 7.424 -4.141 0.000) 8.500 13.347 ( -0.922 -6.600 0.000) 6.664 13.550 ( 8.137 -5.263 0.000) 9.691 13.787 ( 0.780 -7.191 0.000) 7.233 14.840 ( 1.074 -4.162 0.000) 4.298 14.888 ( 9.421 -7.186 0.000) 11.849 14.951 ( -1.488 -3.664 0.000) 3.954 15.483 ( -5.252 -13.729 0.000) 14.699 15.967 ( 3.188 17.516 0.000) 17.804 16.090 ( -0.819 8.563 0.000) 8.602 16.164 ( 0.719 7.282 0.000) 7.317 16.203 ( -1.213 4.448 0.000) 4.611 16.647 ( 5.962 -9.761 0.000) 11.437 16.858 ( 1.249 1.111 0.000) 1.672 16.945 ( -0.864 2.093 0.000) 2.265 17.533 ( -15.586 -17.648 0.000) 23.545 18.385 ( 0.612 15.493 0.000) 15.505 18.466 ( -1.963 13.943 0.000) 14.081 19.528 ( 2.606 -13.284 0.000) 13.537 19.560 ( 0.486 -16.557 0.000) 16.565 21.977 ( 3.535 -2.305 0.000) 4.220 22.130 ( 4.615 -4.213 0.000) 6.248 22.355 ( -5.471 -3.160 0.000) 6.319 22.496 ( -4.179 -2.331 0.000) 4.785 23.934 ( -0.386 -4.857 0.000) 4.872 23.991 ( -2.276 0.906 0.000) 2.449 24.125 ( 3.608 -11.681 0.000) 12.226 24.138 ( 3.742 -4.349 0.000) 5.738 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -0.957 10.008 0.000) 10.054 2.608 ( -4.359 15.659 0.000) 16.255 2.820 ( 2.508 12.826 0.000) 13.069 2.876 ( -3.111 10.531 0.000) 10.981 3.024 ( 1.452 4.276 0.000) 4.516 3.058 ( -1.873 2.713 0.000) 3.297 3.160 ( 4.065 8.853 0.000) 9.742 3.237 ( -3.038 8.393 0.000) 8.926 3.366 ( 4.333 1.030 0.000) 4.454 3.399 ( -0.216 3.596 0.000) 3.603 3.489 ( -0.504 1.386 0.000) 1.474 3.497 ( -0.899 -1.813 0.000) 2.024 3.723 ( 2.733 2.430 0.000) 3.657 3.746 ( 1.553 5.618 0.000) 5.829 3.944 ( 4.206 -5.189 0.000) 6.679 3.963 ( -1.947 1.865 0.000) 2.696 4.159 ( 5.386 8.175 0.000) 9.789 4.184 ( 0.914 10.714 0.000) 10.753 4.241 ( -3.611 8.057 0.000) 8.829 4.387 ( -13.020 4.517 0.000) 13.781 5.044 ( 6.662 11.397 0.000) 13.201 5.145 ( -3.358 10.161 0.000) 10.702 5.198 ( 6.561 6.657 0.000) 9.347 5.283 ( -1.267 7.349 0.000) 7.458 5.721 ( 1.826 1.289 0.000) 2.235 5.787 ( -4.300 0.104 0.000) 4.302 6.003 ( 0.888 -1.431 0.000) 1.685 6.033 ( -2.476 -0.539 0.000) 2.534 6.955 ( 0.250 6.257 0.000) 6.262 6.994 ( -3.643 7.434 0.000) 8.279 7.265 ( 13.279 1.960 0.000) 13.423 7.314 ( 6.277 2.137 0.000) 6.631 7.466 ( -0.458 4.978 0.000) 4.999 7.549 ( -3.899 8.613 0.000) 9.455 7.643 ( 0.032 1.414 0.000) 1.415 7.703 ( -1.698 3.506 0.000) 3.896 7.830 ( 3.152 7.682 0.000) 8.303 7.960 ( -7.085 8.156 0.000) 10.803 8.717 ( 3.271 17.962 0.000) 18.257 8.727 ( 0.057 15.385 0.000) 15.385 8.823 ( 0.035 3.432 0.000) 3.432 8.881 ( -4.883 2.042 0.000) 5.292 9.077 ( 13.845 15.441 0.000) 20.739 9.291 ( -6.035 11.830 0.000) 13.280 9.753 ( 4.237 8.864 0.000) 9.825 9.758 ( 3.961 -8.280 0.000) 9.179 9.870 ( -5.753 4.081 0.000) 7.054 9.894 ( 8.626 2.613 0.000) 9.013 9.912 ( -7.164 2.492 0.000) 7.585 10.001 ( 4.315 -19.475 0.000) 19.948 10.020 ( -0.024 -7.051 0.000) 7.051 10.208 ( -13.644 -1.396 0.000) 13.715 10.320 ( 10.978 -7.128 0.000) 13.089 10.422 ( 1.332 -12.141 0.000) 12.213 10.604 ( -3.361 -9.238 0.000) 9.830 10.780 ( -15.587 -1.598 0.000) 15.668 10.869 ( -0.628 8.155 0.000) 8.179 10.896 ( -0.741 5.729 0.000) 5.777 11.172 ( 9.716 17.856 0.000) 20.328 11.356 ( -8.816 15.494 0.000) 17.826 11.677 ( 10.181 13.662 0.000) 17.038 11.890 ( -9.490 11.561 0.000) 14.957 12.044 ( 2.242 9.190 0.000) 9.459 12.149 ( -6.657 7.883 0.000) 10.318 12.434 ( 6.069 4.802 0.000) 7.739 12.574 ( -0.228 4.256 0.000) 4.262 12.596 ( -4.810 2.494 0.000) 5.418 12.658 ( -3.159 3.177 0.000) 4.480 13.281 ( 4.350 -6.723 0.000) 8.007 13.334 ( -1.191 -7.045 0.000) 7.145 13.700 ( 6.379 -5.521 0.000) 8.436 13.782 ( -1.936 -6.419 0.000) 6.705 14.870 ( 1.954 -3.594 0.000) 4.091 14.913 ( -2.245 -3.415 0.000) 4.087 15.111 ( 12.271 -9.385 0.000) 15.449 15.333 ( -9.916 -11.879 0.000) 15.474 16.035 ( 3.065 14.124 0.000) 14.453 16.073 ( -1.078 9.840 0.000) 9.899 16.173 ( 0.182 7.480 0.000) 7.482 16.180 ( -0.821 5.763 0.000) 5.821 16.833 ( 13.096 -9.012 0.000) 15.898 16.890 ( 2.260 0.301 0.000) 2.280 16.921 ( -1.572 1.831 0.000) 2.414 17.169 ( -19.470 -12.657 0.000) 23.223 18.402 ( 1.145 15.461 0.000) 15.503 18.429 ( -1.640 15.195 0.000) 15.284 19.566 ( 1.025 -15.440 0.000) 15.474 19.570 ( 0.379 -16.286 0.000) 16.290 22.078 ( 6.540 -2.097 0.000) 6.868 22.220 ( -7.652 -2.351 0.000) 8.006 22.248 ( 6.989 -3.943 0.000) 8.025 22.386 ( -6.754 -3.280 0.000) 7.508 23.937 ( 0.653 -2.465 0.000) 2.550 23.956 ( -1.332 -0.104 0.000) 1.336 24.186 ( 2.066 -10.919 0.000) 11.112 24.193 ( 1.431 -8.385 0.000) 8.506 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 0.000 -0.816 0.000) 0.816 2.860 ( 0.000 -6.576 0.000) 6.576 2.990 ( 0.000 6.507 0.000) 6.507 3.033 ( 0.000 10.597 0.000) 10.597 3.042 ( 0.000 2.772 0.000) 2.772 3.194 ( 0.000 9.861 0.000) 9.861 3.208 ( 0.000 3.264 0.000) 3.264 3.294 ( 0.000 1.710 0.000) 1.710 3.322 ( 0.000 5.858 0.000) 5.858 3.499 ( 0.000 0.282 0.000) 0.282 3.555 ( 0.000 2.787 0.000) 2.787 3.565 ( 0.000 0.939 0.000) 0.939 3.581 ( 0.000 -5.099 0.000) 5.099 3.653 ( 0.000 -0.431 0.000) 0.431 3.789 ( 0.000 5.484 0.000) 5.484 3.976 ( 0.000 -4.833 0.000) 4.833 4.344 ( 0.000 5.823 0.000) 5.823 4.446 ( 0.000 2.035 0.000) 2.035 4.646 ( 0.000 13.840 0.000) 13.840 4.782 ( 0.000 6.401 0.000) 6.401 4.972 ( 0.000 0.963 0.000) 0.963 5.017 ( 0.000 0.728 0.000) 0.728 5.247 ( 0.000 3.888 0.000) 3.888 5.302 ( 0.000 1.176 0.000) 1.176 5.888 ( 0.000 9.465 0.000) 9.465 5.914 ( 0.000 1.775 0.000) 1.775 5.987 ( 0.000 -0.898 0.000) 0.898 6.131 ( 0.000 -1.912 0.000) 1.912 7.021 ( 0.000 8.346 0.000) 8.346 7.221 ( 0.000 -0.368 0.000) 0.368 7.229 ( 0.000 11.135 0.000) 11.135 7.235 ( 0.000 6.245 0.000) 6.245 7.290 ( 0.000 4.416 0.000) 4.416 7.682 ( 0.000 11.849 0.000) 11.849 7.761 ( 0.000 8.506 0.000) 8.506 7.766 ( 0.000 -5.532 0.000) 5.532 8.138 ( 0.000 -2.555 0.000) 2.555 8.203 ( 0.000 10.032 0.000) 10.032 8.505 ( 0.000 0.816 0.000) 0.816 8.618 ( 0.000 -19.642 0.000) 19.642 9.020 ( 0.000 3.553 0.000) 3.553 9.069 ( 0.000 -0.531 0.000) 0.531 9.249 ( 0.000 15.648 0.000) 15.648 9.291 ( 0.000 -0.986 0.000) 0.986 9.455 ( 0.000 0.722 0.000) 0.722 9.558 ( 0.000 -9.109 0.000) 9.109 9.674 ( 0.000 -3.304 0.000) 3.304 9.750 ( 0.000 10.986 0.000) 10.986 9.915 ( 0.000 3.074 0.000) 3.074 9.956 ( 0.000 -14.435 0.000) 14.435 10.119 ( 0.000 -3.056 0.000) 3.056 10.209 ( 0.000 1.874 0.000) 1.874 10.600 ( 0.000 -0.947 0.000) 0.947 10.632 ( 0.000 -9.295 0.000) 9.295 10.680 ( 0.000 20.605 0.000) 20.605 10.893 ( 0.000 6.052 0.000) 6.052 10.943 ( 0.000 5.834 0.000) 5.834 11.178 ( 0.000 -5.263 0.000) 5.263 11.193 ( 0.000 7.382 0.000) 7.382 11.501 ( 0.000 -12.168 0.000) 12.168 11.833 ( 0.000 17.402 0.000) 17.402 12.141 ( 0.000 6.973 0.000) 6.973 12.299 ( 0.000 -8.884 0.000) 8.884 12.421 ( 0.000 12.151 0.000) 12.151 12.540 ( 0.000 2.207 0.000) 2.207 12.608 ( 0.000 9.134 0.000) 9.134 12.734 ( 0.000 -5.831 0.000) 5.831 12.798 ( 0.000 7.504 0.000) 7.504 13.209 ( 0.000 8.254 0.000) 8.254 13.257 ( 0.000 -2.976 0.000) 2.976 13.356 ( 0.000 -4.869 0.000) 4.869 13.605 ( 0.000 -10.009 0.000) 10.009 14.685 ( 0.000 -3.401 0.000) 3.401 14.727 ( 0.000 -5.129 0.000) 5.129 14.950 ( 0.000 2.650 0.000) 2.650 15.273 ( 0.000 -12.100 0.000) 12.100 16.253 ( 0.000 11.498 0.000) 11.498 16.268 ( 0.000 7.165 0.000) 7.165 16.280 ( 0.000 5.864 0.000) 5.864 16.296 ( 0.000 3.584 0.000) 3.584 16.520 ( 0.000 3.462 0.000) 3.462 16.830 ( 0.000 -3.631 0.000) 3.631 17.013 ( 0.000 3.740 0.000) 3.740 17.345 ( 0.000 -15.002 0.000) 15.002 18.678 ( 0.000 14.970 0.000) 14.970 18.745 ( 0.000 13.177 0.000) 13.177 19.247 ( 0.000 -14.840 0.000) 14.840 19.255 ( 0.000 -12.731 0.000) 12.731 21.908 ( 0.000 -0.805 0.000) 0.805 21.988 ( 0.000 -4.631 0.000) 4.631 22.329 ( 0.000 -3.268 0.000) 3.268 22.434 ( 0.000 -7.076 0.000) 7.076 23.864 ( 0.000 -2.268 0.000) 2.268 23.917 ( 0.000 -5.429 0.000) 5.429 24.028 ( 0.000 -0.188 0.000) 0.188 24.056 ( 0.000 -1.296 0.000) 1.296 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -0.019 3.890 0.000) 3.891 2.956 ( 6.386 -6.481 0.000) 9.099 2.959 ( -3.045 7.965 0.000) 8.527 3.038 ( 0.612 9.332 0.000) 9.352 3.048 ( 0.406 2.736 0.000) 2.767 3.157 ( -3.150 9.757 0.000) 10.253 3.221 ( 1.575 2.785 0.000) 3.199 3.318 ( 1.980 1.618 0.000) 2.557 3.324 ( 0.800 4.701 0.000) 4.769 3.478 ( -2.316 -0.510 0.000) 2.371 3.523 ( -2.892 1.669 0.000) 3.339 3.525 ( -3.181 -3.581 0.000) 4.790 3.642 ( 5.841 0.926 0.000) 5.914 3.724 ( 5.815 -2.193 0.000) 6.215 3.802 ( 1.272 4.655 0.000) 4.825 3.968 ( -0.951 -4.396 0.000) 4.498 4.317 ( -2.086 6.282 0.000) 6.619 4.413 ( -2.930 2.371 0.000) 3.769 4.500 ( -9.191 10.709 0.000) 14.112 4.686 ( -10.845 1.346 0.000) 10.928 5.064 ( 10.662 7.184 0.000) 12.856 5.157 ( 8.383 3.406 0.000) 9.048 5.280 ( 2.732 4.361 0.000) 5.146 5.333 ( 2.855 1.665 0.000) 3.305 5.858 ( -2.810 8.640 0.000) 9.085 5.886 ( -2.838 1.612 0.000) 3.264 5.965 ( -1.663 -2.189 0.000) 2.749 6.090 ( -3.892 -1.976 0.000) 4.365 7.092 ( 5.561 9.656 0.000) 11.143 7.176 ( 0.116 6.460 0.000) 6.461 7.219 ( -3.342 5.970 0.000) 6.842 7.275 ( 0.903 2.788 0.000) 2.931 7.360 ( 8.987 1.398 0.000) 9.095 7.694 ( 2.904 13.418 0.000) 13.729 7.753 ( -0.050 -5.287 0.000) 5.287 7.820 ( 1.817 8.417 0.000) 8.611 8.086 ( -7.751 12.494 0.000) 14.703 8.101 ( -2.910 -1.747 0.000) 3.394 8.612 ( -0.504 -20.279 0.000) 20.285 8.665 ( 9.740 -6.529 0.000) 11.726 8.991 ( -1.245 4.529 0.000) 4.697 9.106 ( 3.396 3.220 0.000) 4.680 9.199 ( -3.838 14.474 0.000) 14.975 9.389 ( 9.601 2.273 0.000) 9.866 9.438 ( -3.439 -2.919 0.000) 4.511 9.607 ( 5.592 -2.954 0.000) 6.324 9.783 ( 9.877 -5.226 0.000) 11.174 9.788 ( 3.700 7.089 0.000) 7.997 9.866 ( -1.911 1.549 0.000) 2.460 10.005 ( 2.807 -11.538 0.000) 11.874 10.108 ( -1.109 0.310 0.000) 1.151 10.149 ( -4.858 1.204 0.000) 5.005 10.473 ( -11.149 -1.248 0.000) 11.218 10.535 ( -7.655 -9.660 0.000) 12.325 10.576 ( -9.809 19.028 0.000) 21.407 10.939 ( -2.400 3.212 0.000) 4.009 10.949 ( 3.909 6.918 0.000) 7.946 11.084 ( -7.896 -1.354 0.000) 8.011 11.270 ( 6.097 5.190 0.000) 8.007 11.502 ( -0.358 -10.491 0.000) 10.497 11.864 ( 3.330 16.156 0.000) 16.496 12.086 ( -3.526 7.122 0.000) 7.947 12.271 ( -2.686 -6.466 0.000) 7.002 12.401 ( -8.781 -4.528 0.000) 9.879 12.478 ( 1.951 19.696 0.000) 19.792 12.632 ( 2.247 7.694 0.000) 8.015 12.695 ( -3.581 -3.095 0.000) 4.733 12.800 ( -1.015 5.245 0.000) 5.343 13.227 ( 1.692 6.699 0.000) 6.909 13.264 ( 0.901 -0.983 0.000) 1.333 13.437 ( 6.608 -6.608 0.000) 9.345 13.617 ( 0.905 -10.204 0.000) 10.244 14.748 ( 3.120 -4.069 0.000) 5.127 14.767 ( 6.711 -4.671 0.000) 8.177 14.932 ( -1.813 2.230 0.000) 2.874 15.233 ( -4.109 -11.549 0.000) 12.258 16.251 ( -0.862 7.265 0.000) 7.316 16.254 ( -0.173 9.079 0.000) 9.081 16.297 ( 0.948 5.541 0.000) 5.621 16.298 ( 0.326 5.110 0.000) 5.121 16.575 ( 5.680 3.069 0.000) 6.457 16.848 ( 1.728 -3.130 0.000) 3.576 16.995 ( -1.746 2.818 0.000) 3.315 17.240 ( -10.065 -11.867 0.000) 15.561 18.684 ( 0.542 14.917 0.000) 14.927 18.737 ( -0.785 13.608 0.000) 13.631 19.252 ( 0.515 -14.877 0.000) 14.886 19.263 ( 0.661 -13.526 0.000) 13.542 21.942 ( 3.406 -0.855 0.000) 3.511 22.032 ( 4.252 -5.038 0.000) 6.592 22.281 ( -4.606 -2.853 0.000) 5.418 22.389 ( -4.378 -6.962 0.000) 8.224 23.874 ( 1.229 -1.398 0.000) 1.862 23.956 ( 3.311 -5.995 0.000) 6.849 24.002 ( -1.920 0.564 0.000) 2.001 24.069 ( 0.570 -2.943 0.000) 2.998 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 4.838 9.514 0.000) 10.674 2.873 ( -5.685 10.757 0.000) 12.167 3.034 ( 1.674 4.623 0.000) 4.917 3.052 ( -0.186 3.419 0.000) 3.424 3.063 ( 1.636 2.239 0.000) 2.773 3.097 ( -2.427 7.182 0.000) 7.581 3.283 ( 4.635 2.489 0.000) 5.261 3.350 ( 0.059 3.375 0.000) 3.375 3.363 ( 2.812 -0.148 0.000) 2.816 3.412 ( -3.395 -2.449 0.000) 4.186 3.463 ( -2.596 -1.650 0.000) 3.076 3.465 ( -2.531 -3.040 0.000) 3.955 3.766 ( 5.832 1.755 0.000) 6.091 3.824 ( 0.081 2.693 0.000) 2.695 3.845 ( 5.602 -3.809 0.000) 6.774 3.930 ( -3.181 -3.498 0.000) 4.728 4.306 ( 2.148 6.197 0.000) 6.559 4.361 ( -1.306 3.830 0.000) 4.046 4.363 ( -4.171 7.333 0.000) 8.437 4.460 ( -10.679 2.410 0.000) 10.948 5.248 ( 6.456 8.491 0.000) 10.667 5.312 ( -0.366 6.536 0.000) 6.546 5.315 ( 7.354 4.561 0.000) 8.653 5.384 ( 0.848 2.856 0.000) 2.979 5.800 ( -2.106 5.961 0.000) 6.322 5.815 ( -3.430 2.463 0.000) 4.222 5.952 ( 0.855 -3.538 0.000) 3.640 6.003 ( -4.163 -2.781 0.000) 5.006 7.119 ( 0.065 9.538 0.000) 9.538 7.147 ( -2.925 7.498 0.000) 8.048 7.283 ( 5.336 0.102 0.000) 5.337 7.307 ( 1.397 -1.598 0.000) 2.122 7.535 ( 9.323 4.095 0.000) 10.182 7.737 ( -9.314 7.716 0.000) 12.095 7.790 ( 5.872 14.975 0.000) 16.085 7.825 ( 6.555 -0.544 0.000) 6.577 7.953 ( -4.824 12.367 0.000) 13.274 8.028 ( -6.066 -0.919 0.000) 6.135 8.630 ( 3.346 -19.309 0.000) 19.596 8.719 ( -3.678 -17.451 0.000) 17.834 9.035 ( 4.777 13.268 0.000) 14.101 9.122 ( -4.040 14.088 0.000) 14.656 9.204 ( 6.495 0.336 0.000) 6.504 9.336 ( -6.426 -3.064 0.000) 7.119 9.626 ( 12.168 6.435 0.000) 13.765 9.715 ( 3.156 1.558 0.000) 3.520 9.844 ( 3.129 0.228 0.000) 3.137 9.906 ( -0.870 -3.926 0.000) 4.021 9.938 ( 7.764 1.890 0.000) 7.991 10.016 ( -4.617 2.894 0.000) 5.449 10.040 ( 0.860 -6.659 0.000) 6.714 10.184 ( -4.185 -5.460 0.000) 6.880 10.251 ( 0.341 2.889 0.000) 2.909 10.362 ( -9.126 10.896 0.000) 14.213 10.442 ( 2.081 -7.243 0.000) 7.536 10.710 ( -18.253 -4.818 0.000) 18.878 11.005 ( 1.643 7.933 0.000) 8.101 11.019 ( -0.298 8.211 0.000) 8.217 11.385 ( 5.242 0.926 0.000) 5.324 11.468 ( -3.187 -5.069 0.000) 5.988 11.962 ( 6.331 11.822 0.000) 13.410 12.051 ( -1.156 5.122 0.000) 5.251 12.206 ( -3.377 -1.424 0.000) 3.665 12.218 ( -6.893 4.025 0.000) 7.982 12.540 ( 3.517 9.725 0.000) 10.342 12.614 ( -4.188 2.898 0.000) 5.093 12.688 ( 3.367 5.681 0.000) 6.604 12.755 ( -3.176 4.745 0.000) 5.710 13.263 ( 1.600 3.858 0.000) 4.176 13.278 ( 0.106 1.427 0.000) 1.431 13.559 ( 5.050 -8.819 0.000) 10.162 13.620 ( -1.176 -10.079 0.000) 10.147 14.812 ( 3.636 -1.498 0.000) 3.932 14.881 ( -3.237 0.859 0.000) 3.349 14.940 ( 9.659 -7.426 0.000) 12.184 15.115 ( -7.785 -9.924 0.000) 12.613 16.241 ( -0.117 7.241 0.000) 7.242 16.245 ( -0.500 7.169 0.000) 7.186 16.307 ( 0.443 5.612 0.000) 5.629 16.310 ( 0.274 5.208 0.000) 5.215 16.742 ( 11.250 0.581 0.000) 11.265 16.893 ( 2.786 -1.624 0.000) 3.225 16.950 ( -2.799 0.636 0.000) 2.870 16.995 ( -13.820 -5.164 0.000) 14.754 18.698 ( 0.932 14.724 0.000) 14.754 18.718 ( -1.052 14.294 0.000) 14.332 19.264 ( 0.610 -14.903 0.000) 14.916 19.271 ( 0.007 -14.572 0.000) 14.572 22.037 ( 6.074 -1.208 0.000) 6.193 22.142 ( 6.649 -5.858 0.000) 8.862 22.166 ( -6.745 -1.968 0.000) 7.026 22.276 ( -6.750 -6.566 0.000) 9.417 23.911 ( 2.416 -0.125 0.000) 2.420 23.960 ( -2.408 0.646 0.000) 2.493 24.022 ( 3.058 -6.183 0.000) 6.898 24.065 ( -1.150 -5.047 0.000) 5.176 ======================= Grid point 35 (22/72) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 0.000 -3.323 0.000) 3.323 2.758 ( 0.000 3.324 0.000) 3.324 3.058 ( 0.000 -1.102 0.000) 1.102 3.058 ( 0.000 1.102 0.000) 1.102 3.191 ( 0.000 -4.897 0.000) 4.897 3.191 ( 0.000 4.897 0.000) 4.897 3.307 ( 0.000 -1.278 0.000) 1.278 3.307 ( 0.000 1.278 0.000) 1.278 3.438 ( 0.000 -6.413 0.000) 6.413 3.438 ( 0.000 6.413 0.000) 6.413 3.543 ( 0.000 -3.278 0.000) 3.278 3.543 ( 0.000 3.278 0.000) 3.278 3.624 ( 0.000 -2.336 0.000) 2.336 3.624 ( 0.000 2.336 0.000) 2.336 3.880 ( 0.000 -4.458 0.000) 4.458 3.880 ( 0.000 4.458 0.000) 4.458 4.435 ( 0.000 -2.959 0.000) 2.959 4.435 ( 0.000 2.959 0.000) 2.959 4.824 ( 0.000 -3.405 0.000) 3.405 4.824 ( 0.000 3.406 0.000) 3.406 4.994 ( 0.000 -1.631 0.000) 1.631 4.994 ( 0.000 1.631 0.000) 1.631 5.300 ( 0.000 -1.397 0.000) 1.397 5.300 ( 0.000 1.397 0.000) 1.397 5.953 ( 0.000 -2.078 0.000) 2.078 5.953 ( 0.000 2.078 0.000) 2.078 6.049 ( 0.000 -6.449 0.000) 6.449 6.049 ( 0.000 6.449 0.000) 6.449 7.167 ( 0.000 -5.321 0.000) 5.321 7.167 ( 0.000 5.321 0.000) 5.321 7.319 ( 0.000 -1.654 0.000) 1.654 7.319 ( 0.000 1.654 0.000) 1.654 7.526 ( 0.000 -16.916 0.000) 16.916 7.526 ( 0.000 16.917 0.000) 16.917 7.862 ( 0.000 -0.655 0.000) 0.655 7.862 ( 0.000 0.655 0.000) 0.655 8.213 ( 0.000 -15.526 0.000) 15.526 8.213 ( 0.000 15.526 0.000) 15.526 8.391 ( 0.000 -9.211 0.000) 9.211 8.391 ( 0.000 9.212 0.000) 9.212 9.026 ( 0.000 -1.228 0.000) 1.228 9.026 ( 0.000 1.229 0.000) 1.229 9.421 ( 0.000 -2.726 0.000) 2.726 9.421 ( 0.000 2.726 0.000) 2.726 9.511 ( 0.000 -12.666 0.000) 12.666 9.511 ( 0.000 12.666 0.000) 12.666 9.650 ( 0.000 -14.678 0.000) 14.678 9.650 ( 0.000 14.678 0.000) 14.678 9.916 ( 0.000 -3.755 0.000) 3.755 9.916 ( 0.000 3.755 0.000) 3.755 10.159 ( 0.000 -5.519 0.000) 5.519 10.159 ( 0.000 5.519 0.000) 5.519 10.558 ( 0.000 -1.309 0.000) 1.309 10.558 ( 0.000 1.309 0.000) 1.309 11.004 ( 0.000 -2.547 0.000) 2.547 11.004 ( 0.000 2.547 0.000) 2.547 11.107 ( 0.000 -12.176 0.000) 12.176 11.107 ( 0.000 12.176 0.000) 12.176 11.183 ( 0.000 -14.467 0.000) 14.467 11.183 ( 0.000 14.467 0.000) 14.467 12.112 ( 0.000 -11.108 0.000) 11.108 12.112 ( 0.000 11.109 0.000) 11.109 12.312 ( 0.000 -9.547 0.000) 9.547 12.312 ( 0.000 9.547 0.000) 9.547 12.694 ( 0.000 -0.655 0.000) 0.655 12.694 ( 0.000 0.656 0.000) 0.656 12.788 ( 0.000 -8.674 0.000) 8.674 12.788 ( 0.000 8.675 0.000) 8.675 13.267 ( 0.000 -3.357 0.000) 3.357 13.267 ( 0.000 3.358 0.000) 3.358 13.393 ( 0.000 -10.823 0.000) 10.823 13.393 ( 0.000 10.823 0.000) 10.823 14.662 ( 0.000 -1.096 0.000) 1.096 14.662 ( 0.000 1.096 0.000) 1.096 15.066 ( 0.000 -8.730 0.000) 8.730 15.066 ( 0.000 8.730 0.000) 8.730 16.339 ( 0.000 -0.280 0.000) 0.280 16.339 ( 0.000 0.280 0.000) 0.280 16.345 ( 0.000 -0.126 0.000) 0.126 16.345 ( 0.000 0.126 0.000) 0.126 16.691 ( 0.000 -10.039 0.000) 10.039 16.691 ( 0.000 10.040 0.000) 10.040 17.120 ( 0.000 -7.990 0.000) 7.990 17.120 ( 0.000 7.990 0.000) 7.990 18.964 ( 0.000 -14.272 0.000) 14.272 18.964 ( 0.000 14.272 0.000) 14.272 19.002 ( 0.000 -12.982 0.000) 12.982 19.002 ( 0.000 12.982 0.000) 12.982 21.920 ( 0.000 -2.093 0.000) 2.093 21.920 ( 0.000 2.094 0.000) 2.094 22.324 ( 0.000 -3.071 0.000) 3.071 22.324 ( 0.000 3.071 0.000) 3.071 23.853 ( 0.000 -1.226 0.000) 1.226 23.853 ( 0.000 1.226 0.000) 1.226 24.033 ( 0.000 -0.804 0.000) 0.804 24.033 ( 0.000 0.804 0.000) 0.804 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 5.266 -6.576 0.000) 8.424 2.813 ( 5.266 6.576 0.000) 8.425 3.051 ( -0.774 -2.109 0.000) 2.247 3.051 ( -0.774 2.109 0.000) 2.247 3.195 ( 0.485 -5.258 0.000) 5.281 3.195 ( 0.485 5.258 0.000) 5.281 3.306 ( -0.234 -3.867 0.000) 3.875 3.306 ( -0.234 3.868 0.000) 3.875 3.422 ( -1.246 -5.429 0.000) 5.570 3.422 ( -1.246 5.429 0.000) 5.570 3.500 ( -4.025 -2.821 0.000) 4.915 3.500 ( -4.025 2.821 0.000) 4.915 3.682 ( 5.222 -2.263 0.000) 5.691 3.682 ( 5.222 2.263 0.000) 5.691 3.881 ( 0.076 -3.970 0.000) 3.970 3.881 ( 0.076 3.970 0.000) 3.970 4.409 ( -2.123 -2.699 0.000) 3.434 4.409 ( -2.123 2.700 0.000) 3.434 4.651 ( -11.142 -4.786 0.000) 12.127 4.651 ( -11.142 4.786 0.000) 12.127 5.167 ( 11.119 -2.608 0.000) 11.420 5.167 ( 11.119 2.608 0.000) 11.420 5.337 ( 3.260 -1.361 0.000) 3.533 5.337 ( 3.260 1.361 0.000) 3.533 5.921 ( -2.806 -1.983 0.000) 3.436 5.921 ( -2.806 1.983 0.000) 3.436 6.009 ( -3.809 -6.200 0.000) 7.276 6.009 ( -3.809 6.200 0.000) 7.276 7.224 ( 4.065 -3.045 0.000) 5.079 7.224 ( 4.065 3.045 0.000) 5.079 7.293 ( -2.128 -1.281 0.000) 2.483 7.293 ( -2.128 1.281 0.000) 2.483 7.532 ( 2.469 -14.752 0.000) 14.958 7.532 ( 2.469 14.753 0.000) 14.958 7.919 ( 4.277 -3.653 0.000) 5.625 7.919 ( 4.277 3.653 0.000) 5.625 8.180 ( -2.870 -17.672 0.000) 17.903 8.180 ( -2.870 17.672 0.000) 17.904 8.373 ( -2.145 -16.561 0.000) 16.700 8.373 ( -2.145 16.562 0.000) 16.700 9.089 ( 5.507 -3.876 0.000) 6.734 9.089 ( 5.507 3.876 0.000) 6.734 9.376 ( -3.687 -3.863 0.000) 5.340 9.376 ( -3.687 3.864 0.000) 5.341 9.601 ( 8.844 -12.327 0.000) 15.171 9.601 ( 8.844 12.327 0.000) 15.171 9.708 ( 4.901 -11.553 0.000) 12.550 9.708 ( 4.901 11.553 0.000) 12.550 9.906 ( -0.373 -3.466 0.000) 3.486 9.906 ( -0.373 3.466 0.000) 3.486 10.148 ( -0.997 -3.508 0.000) 3.647 10.148 ( -0.997 3.508 0.000) 3.647 10.435 ( -10.236 -0.491 0.000) 10.248 10.435 ( -10.236 0.491 0.000) 10.248 10.882 ( -11.597 -9.014 0.000) 14.688 10.882 ( -11.597 9.014 0.000) 14.688 11.163 ( 4.227 -12.283 0.000) 12.990 11.163 ( 4.227 12.283 0.000) 12.990 11.213 ( 2.069 -14.754 0.000) 14.899 11.213 ( 2.069 14.754 0.000) 14.899 12.116 ( 0.422 -9.794 0.000) 9.803 12.116 ( 0.422 9.794 0.000) 9.804 12.250 ( -5.045 -8.976 0.000) 10.297 12.250 ( -5.045 8.976 0.000) 10.297 12.696 ( 0.292 -0.783 0.000) 0.836 12.696 ( 0.292 0.784 0.000) 0.836 12.779 ( -1.092 -8.563 0.000) 8.632 12.779 ( -1.092 8.563 0.000) 8.633 13.311 ( 3.728 -5.249 0.000) 6.438 13.311 ( 3.728 5.249 0.000) 6.438 13.402 ( 0.685 -10.909 0.000) 10.931 13.402 ( 0.685 10.909 0.000) 10.931 14.713 ( 4.861 -0.639 0.000) 4.903 14.713 ( 4.861 0.639 0.000) 4.903 15.037 ( -2.935 -8.117 0.000) 8.631 15.037 ( -2.935 8.118 0.000) 8.632 16.339 ( -0.047 -1.343 0.000) 1.344 16.339 ( -0.047 1.344 0.000) 1.345 16.344 ( -0.142 -1.397 0.000) 1.404 16.344 ( -0.142 1.397 0.000) 1.404 16.725 ( 3.390 -8.874 0.000) 9.500 16.725 ( 3.390 8.875 0.000) 9.500 17.070 ( -4.794 -5.636 0.000) 7.399 17.070 ( -4.794 5.636 0.000) 7.399 18.969 ( 0.466 -14.273 0.000) 14.281 18.969 ( 0.466 14.273 0.000) 14.281 19.000 ( -0.192 -13.328 0.000) 13.329 19.000 ( -0.192 13.328 0.000) 13.329 21.956 ( 3.559 -2.393 0.000) 4.289 21.956 ( 3.559 2.394 0.000) 4.289 22.281 ( -4.185 -3.100 0.000) 5.208 22.281 ( -4.185 3.100 0.000) 5.208 23.879 ( 2.411 -2.012 0.000) 3.140 23.879 ( 2.411 2.012 0.000) 3.140 24.023 ( -1.076 -1.674 0.000) 1.990 24.023 ( -1.076 1.674 0.000) 1.991 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 6.141 -7.843 0.000) 9.961 2.935 ( 6.141 7.843 0.000) 9.961 3.022 ( -2.630 -4.610 0.000) 5.307 3.022 ( -2.630 4.610 0.000) 5.307 3.220 ( 2.416 -7.087 0.000) 7.487 3.220 ( 2.416 7.087 0.000) 7.487 3.282 ( -2.763 -8.785 0.000) 9.209 3.282 ( -2.763 8.785 0.000) 9.209 3.403 ( -0.481 -3.019 0.000) 3.057 3.403 ( -0.481 3.019 0.000) 3.057 3.420 ( -2.846 -2.473 0.000) 3.770 3.420 ( -2.846 2.473 0.000) 3.770 3.796 ( 5.576 -1.638 0.000) 5.812 3.796 ( 5.576 1.638 0.000) 5.812 3.870 ( -1.793 -2.439 0.000) 3.027 3.870 ( -1.793 2.439 0.000) 3.027 4.384 ( 0.574 -1.493 0.000) 1.600 4.384 ( 0.574 1.494 0.000) 1.600 4.461 ( -7.417 -2.504 0.000) 7.828 4.461 ( -7.417 2.504 0.000) 7.829 5.350 ( 6.464 -1.565 0.000) 6.651 5.350 ( 6.464 1.565 0.000) 6.651 5.394 ( 1.460 -1.827 0.000) 2.339 5.394 ( 1.460 1.827 0.000) 2.339 5.877 ( -0.592 -3.737 0.000) 3.783 5.877 ( -0.592 3.737 0.000) 3.783 5.920 ( -4.450 -5.606 0.000) 7.157 5.920 ( -4.450 5.606 0.000) 7.157 7.258 ( -0.172 -3.550 0.000) 3.554 7.258 ( -0.172 3.550 0.000) 3.554 7.260 ( -0.897 -3.731 0.000) 3.837 7.260 ( -0.897 3.731 0.000) 3.837 7.682 ( 11.823 -10.238 0.000) 15.640 7.682 ( 11.823 10.238 0.000) 15.640 7.903 ( -8.137 -7.546 0.000) 11.097 7.903 ( -8.137 7.546 0.000) 11.097 8.185 ( 4.879 -21.857 0.000) 22.395 8.185 ( 4.879 21.857 0.000) 22.395 8.299 ( -5.383 -20.989 0.000) 21.668 8.299 ( -5.383 20.989 0.000) 21.668 9.201 ( 5.450 -3.158 0.000) 6.299 9.201 ( 5.450 3.158 0.000) 6.299 9.297 ( -4.403 -3.592 0.000) 5.682 9.297 ( -4.403 3.592 0.000) 5.682 9.783 ( 6.428 -7.305 0.000) 9.731 9.783 ( 6.428 7.305 0.000) 9.731 9.801 ( 3.362 -6.710 0.000) 7.505 9.801 ( 3.362 6.710 0.000) 7.505 9.941 ( 5.078 -0.911 0.000) 5.159 9.941 ( 5.078 0.911 0.000) 5.159 10.090 ( -7.371 -4.200 0.000) 8.483 10.090 ( -7.371 4.200 0.000) 8.483 10.323 ( 4.946 -4.744 0.000) 6.854 10.323 ( 4.946 4.744 0.000) 6.854 10.586 ( -17.262 -8.664 0.000) 19.314 10.586 ( -17.262 8.664 0.000) 19.314 11.229 ( 2.079 -13.170 0.000) 13.333 11.229 ( 2.079 13.170 0.000) 13.333 11.242 ( 0.629 -14.225 0.000) 14.238 11.242 ( 0.629 14.225 0.000) 14.239 12.128 ( 0.963 -6.325 0.000) 6.397 12.128 ( 0.963 6.325 0.000) 6.398 12.165 ( -3.088 -6.144 0.000) 6.877 12.165 ( -3.088 6.144 0.000) 6.877 12.711 ( 1.402 -3.975 0.000) 4.215 12.711 ( 1.402 3.976 0.000) 4.216 12.747 ( -1.997 -6.875 0.000) 7.159 12.747 ( -1.997 6.875 0.000) 7.160 13.379 ( 2.724 -8.327 0.000) 8.761 13.379 ( 2.724 8.327 0.000) 8.761 13.408 ( -0.334 -10.328 0.000) 10.333 13.408 ( -0.334 10.328 0.000) 10.333 14.831 ( 6.677 -3.478 0.000) 7.529 14.831 ( 6.677 3.479 0.000) 7.529 14.954 ( -5.515 -6.296 0.000) 8.370 14.954 ( -5.515 6.297 0.000) 8.371 16.338 ( 0.045 -2.184 0.000) 2.184 16.338 ( 0.045 2.184 0.000) 2.185 16.341 ( -0.164 -2.223 0.000) 2.229 16.341 ( -0.164 2.224 0.000) 2.230 16.819 ( 6.082 -5.314 0.000) 8.076 16.819 ( 6.082 5.314 0.000) 8.077 16.951 ( -6.937 -0.236 0.000) 6.941 16.951 ( -6.937 0.236 0.000) 6.941 18.981 ( 0.684 -14.210 0.000) 14.226 18.981 ( 0.684 14.210 0.000) 14.226 18.993 ( -0.526 -13.906 0.000) 13.916 18.993 ( -0.526 13.906 0.000) 13.916 22.051 ( 5.931 -2.861 0.000) 6.585 22.051 ( 5.931 2.861 0.000) 6.585 22.174 ( -6.296 -3.090 0.000) 7.014 22.174 ( -6.296 3.090 0.000) 7.014 23.936 ( 3.098 -2.747 0.000) 4.141 23.936 ( 3.098 2.748 0.000) 4.141 23.990 ( -2.297 -2.599 0.000) 3.468 23.990 ( -2.297 2.599 0.000) 3.468 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 0.000 27.952) 27.952 0.813 ( 0.000 0.000 34.798) 34.798 1.282 ( 0.000 0.000 54.357) 54.357 1.837 ( 0.000 0.000 -24.235) 24.235 2.102 ( 0.000 0.000 -21.723) 21.723 2.399 ( 0.000 0.000 9.432) 9.432 2.442 ( 0.000 0.000 1.676) 1.676 2.503 ( 0.000 0.000 6.563) 6.563 2.781 ( 0.000 0.000 6.608) 6.608 2.786 ( 0.000 0.000 4.761) 4.761 2.925 ( 0.000 0.000 -1.793) 1.793 2.972 ( 0.000 0.000 -7.865) 7.865 3.128 ( 0.000 0.000 -2.960) 2.960 3.184 ( 0.000 0.000 3.067) 3.067 3.208 ( 0.000 0.000 -15.084) 15.084 3.280 ( 0.000 0.000 -1.078) 1.078 3.301 ( 0.000 0.000 7.072) 7.072 3.649 ( 0.000 0.000 -4.945) 4.945 3.665 ( 0.000 0.000 7.948) 7.948 4.104 ( 0.000 0.000 -6.439) 6.439 4.290 ( 0.000 0.000 6.879) 6.879 4.740 ( 0.000 0.000 -9.112) 9.112 4.765 ( 0.000 0.000 3.402) 3.402 4.887 ( 0.000 0.000 0.166) 0.166 4.902 ( 0.000 0.000 -0.356) 0.356 5.098 ( 0.000 0.000 -4.153) 4.153 5.177 ( 0.000 0.000 1.228) 1.228 5.240 ( 0.000 0.000 -1.023) 1.023 5.687 ( 0.000 0.000 -0.421) 0.421 5.846 ( 0.000 0.000 -3.093) 3.093 6.488 ( 0.000 0.000 0.189) 0.189 6.539 ( 0.000 0.000 1.645) 1.645 6.917 ( 0.000 0.000 1.595) 1.595 7.064 ( 0.000 0.000 -1.908) 1.908 7.243 ( 0.000 0.000 0.745) 0.745 7.268 ( 0.000 0.000 -1.387) 1.387 7.525 ( 0.000 0.000 -1.571) 1.571 7.786 ( 0.000 0.000 -16.019) 16.019 7.874 ( 0.000 0.000 8.028) 8.028 8.046 ( 0.000 0.000 1.349) 1.349 8.127 ( 0.000 0.000 -1.476) 1.476 8.236 ( 0.000 0.000 5.898) 5.898 8.307 ( 0.000 0.000 -5.963) 5.963 8.493 ( 0.000 0.000 -4.683) 4.683 8.787 ( 0.000 0.000 4.720) 4.720 8.945 ( 0.000 0.000 0.739) 0.739 9.101 ( 0.000 0.000 -1.838) 1.838 9.228 ( 0.000 0.000 -6.305) 6.305 9.302 ( 0.000 0.000 19.572) 19.572 9.580 ( 0.000 0.000 7.131) 7.131 9.832 ( 0.000 0.000 -3.245) 3.245 9.869 ( 0.000 0.000 -5.528) 5.528 10.205 ( 0.000 0.000 2.741) 2.741 10.304 ( 0.000 0.000 9.928) 9.928 10.396 ( 0.000 0.000 -5.018) 5.018 10.862 ( 0.000 0.000 14.812) 14.812 11.002 ( 0.000 0.000 4.595) 4.595 11.042 ( 0.000 0.000 -17.926) 17.926 11.416 ( 0.000 0.000 -11.367) 11.367 11.451 ( 0.000 0.000 -1.132) 1.132 11.546 ( 0.000 0.000 -1.924) 1.924 11.833 ( 0.000 0.000 -12.983) 12.983 11.942 ( 0.000 0.000 6.323) 6.323 12.118 ( 0.000 0.000 0.054) 0.054 12.305 ( 0.000 0.000 12.882) 12.882 13.196 ( 0.000 0.000 17.501) 17.501 13.280 ( 0.000 0.000 -25.174) 25.174 13.303 ( 0.000 0.000 16.056) 16.056 13.407 ( 0.000 0.000 1.611) 1.611 13.603 ( 0.000 0.000 -9.374) 9.374 13.953 ( 0.000 0.000 -10.811) 10.811 13.998 ( 0.000 0.000 -9.836) 9.836 14.309 ( 0.000 0.000 4.189) 4.189 14.485 ( 0.000 0.000 -5.094) 5.094 14.888 ( 0.000 0.000 6.954) 6.954 15.181 ( 0.000 0.000 -3.445) 3.445 15.267 ( 0.000 0.000 3.821) 3.821 15.407 ( 0.000 0.000 -1.142) 1.142 15.658 ( 0.000 0.000 17.512) 17.512 16.304 ( 0.000 0.000 -7.782) 7.782 17.527 ( 0.000 0.000 21.995) 21.995 18.621 ( 0.000 0.000 -16.726) 16.726 18.656 ( 0.000 0.000 1.919) 1.919 18.663 ( 0.000 0.000 1.899) 1.899 18.760 ( 0.000 0.000 -1.740) 1.740 18.766 ( 0.000 0.000 -1.723) 1.723 19.937 ( 0.000 0.000 3.621) 3.621 20.172 ( 0.000 0.000 -4.540) 4.540 20.879 ( 0.000 0.000 3.297) 3.297 21.148 ( 0.000 0.000 -8.026) 8.026 21.506 ( 0.000 0.000 6.763) 6.763 21.695 ( 0.000 0.000 -1.748) 1.748 23.905 ( 0.000 0.000 6.315) 6.315 24.396 ( 0.000 0.000 -14.003) 14.003 25.180 ( 0.000 0.000 15.066) 15.066 25.744 ( 0.000 0.000 -7.743) 7.743 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.860 ( 18.710 0.000 19.063) 26.710 1.000 ( 17.122 0.000 27.287) 32.213 1.571 ( 27.515 0.000 43.181) 51.202 1.873 ( 2.198 0.000 -23.124) 23.228 2.087 ( -4.431 0.000 -12.933) 13.672 2.233 ( -11.669 0.000 9.385) 14.974 2.389 ( -6.336 0.000 0.463) 6.353 2.427 ( -2.700 0.000 -0.004) 2.700 2.760 ( -5.785 0.000 -5.993) 8.329 2.769 ( -1.861 0.000 7.842) 8.059 2.853 ( -10.284 0.000 -0.986) 10.331 2.902 ( 0.721 0.000 6.161) 6.203 3.080 ( -2.968 0.000 1.887) 3.517 3.205 ( 7.802 0.000 -10.150) 12.802 3.260 ( 4.698 0.000 -0.205) 4.703 3.313 ( 2.598 0.000 -1.184) 2.855 3.486 ( 5.857 0.000 -3.264) 6.705 3.619 ( -2.245 0.000 7.779) 8.096 3.758 ( 7.617 0.000 -7.362) 10.594 4.063 ( -12.696 0.000 -2.290) 12.901 4.250 ( 3.181 0.000 3.092) 4.436 4.489 ( -8.144 0.000 4.456) 9.283 4.904 ( 1.892 0.000 -6.848) 7.104 4.917 ( 2.973 0.000 0.306) 2.988 4.939 ( 3.584 0.000 -0.470) 3.614 5.084 ( -1.807 0.000 -4.255) 4.623 5.152 ( -2.468 0.000 1.158) 2.726 5.212 ( -2.866 0.000 -0.957) 3.021 5.741 ( 5.600 0.000 0.684) 5.642 5.957 ( 7.170 0.000 -7.092) 10.085 6.312 ( -11.008 0.000 8.899) 14.155 6.434 ( -5.100 0.000 0.831) 5.167 7.019 ( 8.242 0.000 1.819) 8.440 7.228 ( 1.725 0.000 -2.749) 3.245 7.304 ( 5.951 0.000 -0.117) 5.952 7.472 ( 16.867 0.000 -4.162) 17.373 7.601 ( 2.613 0.000 -4.333) 5.060 7.840 ( 1.347 0.000 -2.997) 3.286 7.900 ( 5.175 0.000 -3.234) 6.102 8.055 ( 0.881 0.000 1.132) 1.434 8.097 ( 0.800 0.000 -2.644) 2.763 8.120 ( -0.682 0.000 -1.123) 1.314 8.417 ( 1.476 0.000 -0.706) 1.636 8.475 ( -0.553 0.000 -9.437) 9.453 8.848 ( 5.985 0.000 4.482) 7.477 8.982 ( 3.401 0.000 1.253) 3.624 9.115 ( 1.459 0.000 -2.315) 2.736 9.214 ( -1.336 0.000 -5.646) 5.802 9.311 ( 2.472 0.000 9.107) 9.437 9.522 ( -5.489 0.000 5.810) 7.993 9.678 ( -12.268 0.000 -0.592) 12.282 9.789 ( -10.008 0.000 -5.746) 11.540 10.013 ( -13.589 0.000 5.055) 14.499 10.304 ( -8.554 0.000 -7.521) 11.390 10.441 ( 10.772 0.000 7.137) 12.922 10.842 ( -0.346 0.000 13.744) 13.748 10.943 ( -4.551 0.000 1.958) 4.955 11.106 ( 4.780 0.000 -14.133) 14.919 11.357 ( -12.243 0.000 -5.031) 13.236 11.390 ( -2.646 0.000 -11.637) 11.934 11.536 ( 6.130 0.000 3.505) 7.061 11.897 ( -1.023 0.000 -2.019) 2.263 11.939 ( 5.018 0.000 9.898) 11.097 12.218 ( 8.367 0.000 4.506) 9.504 12.603 ( 19.304 0.000 -8.905) 21.259 13.197 ( -6.073 0.000 -17.482) 18.507 13.207 ( 1.047 0.000 17.349) 17.380 13.293 ( -0.975 0.000 16.181) 16.210 13.453 ( 3.020 0.000 -3.757) 4.820 13.611 ( -0.089 0.000 -10.341) 10.342 13.957 ( 0.431 0.000 -10.714) 10.723 13.993 ( -0.424 0.000 -9.926) 9.935 14.333 ( 1.899 0.000 3.363) 3.862 14.485 ( -2.328 0.000 1.488) 2.763 14.812 ( -2.440 0.000 12.813) 13.044 15.136 ( -2.805 0.000 -2.196) 3.563 15.288 ( 2.411 0.000 2.571) 3.525 15.411 ( 0.347 0.000 -1.327) 1.372 15.649 ( 0.285 0.000 15.351) 15.353 16.192 ( -11.024 0.000 -5.257) 12.214 17.550 ( 2.425 0.000 23.415) 23.540 18.283 ( -27.989 0.000 24.618) 37.275 18.656 ( 0.056 0.000 1.913) 1.914 18.662 ( -0.075 0.000 1.897) 1.898 18.761 ( 0.067 0.000 -1.734) 1.735 18.765 ( -0.045 0.000 -1.721) 1.722 19.821 ( -6.925 0.000 0.582) 6.949 20.161 ( -2.252 0.000 -6.492) 6.871 20.640 ( -22.091 0.000 22.284) 31.378 20.907 ( -8.525 0.000 8.113) 11.768 21.107 ( -7.054 0.000 -7.673) 10.422 21.375 ( -18.424 0.000 -3.096) 18.682 24.082 ( 14.983 0.000 7.242) 16.641 24.692 ( 2.364 0.000 -15.158) 15.341 25.558 ( 22.965 0.000 -5.796) 23.685 25.870 ( 9.985 0.000 -12.754) 16.197 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.271 ( 22.506 0.000 9.981) 24.620 1.401 ( 22.360 0.000 17.026) 28.104 1.698 ( -19.205 0.000 0.412) 19.209 1.826 ( -19.900 0.000 7.874) 21.401 2.077 ( 11.494 0.000 0.041) 11.494 2.204 ( 1.720 0.000 4.788) 5.087 2.414 ( 7.079 0.000 -13.541) 15.280 2.469 ( 21.955 0.000 7.863) 23.321 2.590 ( -9.903 0.000 -12.292) 15.785 2.694 ( -2.163 0.000 8.706) 8.971 2.760 ( -0.454 0.000 5.053) 5.074 2.950 ( 3.262 0.000 7.465) 8.147 3.017 ( -3.449 0.000 5.030) 6.099 3.202 ( -32.674 0.000 10.004) 34.171 3.333 ( 2.456 0.000 -0.922) 2.624 3.350 ( 0.676 0.000 -1.200) 1.378 3.396 ( 9.336 0.000 -5.426) 10.798 3.556 ( -6.329 0.000 -4.758) 7.918 3.866 ( 6.804 0.000 -10.826) 12.787 3.946 ( 0.462 0.000 -0.909) 1.020 4.370 ( 4.208 0.000 -0.862) 4.295 4.411 ( -1.454 0.000 4.458) 4.689 4.908 ( 1.969 0.000 -5.048) 5.419 4.994 ( 4.511 0.000 0.539) 4.543 5.008 ( -6.033 0.000 -3.672) 7.062 5.028 ( 4.906 0.000 -0.725) 4.959 5.086 ( -3.834 0.000 1.005) 3.963 5.134 ( -4.836 0.000 -0.753) 4.894 5.876 ( 7.378 0.000 0.688) 7.410 6.002 ( -4.140 0.000 -3.486) 5.412 6.227 ( 3.019 0.000 5.217) 6.028 6.327 ( -5.631 0.000 1.399) 5.802 7.170 ( 6.554 0.000 -2.453) 6.998 7.241 ( -0.594 0.000 -2.702) 2.767 7.384 ( 2.219 0.000 1.595) 2.733 7.487 ( -8.951 0.000 -2.211) 9.221 7.767 ( 14.888 0.000 1.838) 15.001 7.949 ( 10.275 0.000 5.589) 11.697 8.033 ( -9.642 0.000 -0.984) 9.692 8.071 ( 2.732 0.000 -1.339) 3.043 8.077 ( 1.299 0.000 0.528) 1.402 8.102 ( -1.154 0.000 -0.319) 1.197 8.422 ( 3.822 0.000 -4.531) 5.928 8.529 ( 1.226 0.000 -9.772) 9.849 8.994 ( 7.436 0.000 3.595) 8.259 9.048 ( 2.095 0.000 1.895) 2.825 9.151 ( 1.747 0.000 -2.614) 3.144 9.188 ( -1.070 0.000 -3.132) 3.309 9.374 ( 2.510 0.000 -5.759) 6.283 9.401 ( -4.734 0.000 2.725) 5.462 9.451 ( -9.080 0.000 0.751) 9.111 9.496 ( -13.296 0.000 -3.654) 13.789 9.906 ( 3.013 0.000 -2.529) 3.934 10.082 ( -12.627 0.000 -10.282) 16.284 10.653 ( 10.193 0.000 5.123) 11.408 10.826 ( -7.477 0.000 3.707) 8.346 10.914 ( 7.830 0.000 8.987) 11.919 11.116 ( -11.965 0.000 0.484) 11.975 11.211 ( 5.704 0.000 -13.482) 14.639 11.316 ( -4.770 0.000 -12.415) 13.300 11.669 ( 7.153 0.000 5.685) 9.137 11.805 ( -6.342 0.000 4.959) 8.051 12.122 ( 10.561 0.000 11.264) 15.440 12.279 ( -3.434 0.000 10.122) 10.688 12.897 ( 11.158 0.000 -15.374) 18.996 13.071 ( -7.187 0.000 -15.902) 17.451 13.234 ( 1.656 0.000 16.965) 17.046 13.267 ( -1.611 0.000 16.520) 16.598 13.514 ( 3.265 0.000 -4.391) 5.472 13.577 ( -3.003 0.000 -6.379) 7.051 13.968 ( 0.694 0.000 -10.465) 10.488 13.982 ( -0.689 0.000 -10.164) 10.188 14.366 ( 1.619 0.000 4.834) 5.098 14.409 ( -3.051 0.000 7.770) 8.347 14.907 ( 9.206 0.000 -1.967) 9.413 15.066 ( -5.712 0.000 -4.508) 7.277 15.349 ( 3.996 0.000 3.344) 5.211 15.414 ( -1.303 0.000 0.539) 1.410 15.705 ( 6.513 0.000 10.815) 12.624 15.921 ( -14.606 0.000 2.242) 14.778 17.632 ( 6.545 0.000 28.763) 29.498 17.838 ( -15.736 0.000 36.894) 40.110 18.658 ( 0.100 0.000 1.902) 1.905 18.660 ( -0.111 0.000 1.895) 1.899 18.762 ( 0.096 0.000 -1.724) 1.726 18.764 ( -0.083 0.000 -1.719) 1.721 19.839 ( 7.851 0.000 -13.044) 15.225 20.039 ( -10.037 0.000 -11.539) 15.294 20.528 ( 4.579 0.000 8.940) 10.045 20.705 ( -12.224 0.000 3.252) 12.649 21.028 ( 0.101 0.000 -4.639) 4.640 21.107 ( -8.186 0.000 -5.134) 9.663 24.380 ( 14.103 0.000 3.895) 14.631 24.606 ( -8.711 0.000 -3.229) 9.291 25.859 ( 10.178 0.000 -5.089) 11.380 25.972 ( -0.765 0.000 -9.397) 9.428 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.863 ( 0.000 15.868 22.723) 27.715 0.875 ( 0.000 21.694 19.458) 29.142 1.792 ( 0.000 37.720 40.263) 55.172 1.921 ( 0.000 8.653 -22.456) 24.066 2.064 ( 0.000 -1.652 -21.721) 21.784 2.422 ( 0.000 4.263 5.551) 6.999 2.472 ( 0.000 2.706 0.400) 2.736 2.669 ( 0.000 13.719 6.985) 15.395 2.797 ( 0.000 2.775 6.848) 7.389 2.850 ( 0.000 5.212 7.209) 8.896 2.985 ( 0.000 6.207 -4.800) 7.846 3.049 ( 0.000 6.433 -3.578) 7.361 3.085 ( 0.000 -1.748 0.021) 1.748 3.233 ( 0.000 6.511 -3.583) 7.432 3.293 ( 0.000 -0.239 3.534) 3.542 3.335 ( 0.000 10.632 -5.604) 12.018 3.420 ( 0.000 8.967 3.235) 9.533 3.639 ( 0.000 1.433 5.254) 5.446 3.670 ( 0.000 2.830 -7.384) 7.908 4.049 ( 0.000 -3.811 -6.106) 7.198 4.275 ( 0.000 0.649 6.472) 6.504 4.668 ( 0.000 -2.407 5.408) 5.920 4.730 ( 0.000 -0.035 -8.561) 8.561 5.054 ( 0.000 0.757 -5.571) 5.623 5.219 ( 0.000 23.270 1.803) 23.340 5.307 ( 0.000 29.226 -1.873) 29.286 5.427 ( 0.000 23.832 1.683) 23.891 5.524 ( 0.000 26.601 -1.651) 26.652 5.737 ( 0.000 5.645 -0.013) 5.645 5.860 ( 0.000 1.721 -1.894) 2.559 6.362 ( 0.000 -6.517 8.468) 10.685 6.458 ( 0.000 -1.876 -0.892) 2.077 6.921 ( 0.000 0.443 1.441) 1.508 7.060 ( 0.000 -0.361 -1.944) 1.977 7.277 ( 0.000 3.784 -0.391) 3.804 7.277 ( 0.000 0.641 -0.889) 1.096 7.456 ( 0.000 -0.413 -0.393) 0.570 7.721 ( 0.000 -5.352 -14.065) 15.049 7.820 ( 0.000 3.117 12.068) 12.464 8.180 ( 0.000 -3.572 4.225) 5.532 8.203 ( 0.000 3.393 -2.635) 4.296 8.341 ( 0.000 2.721 -0.060) 2.721 8.488 ( 0.000 3.887 -11.058) 11.721 8.536 ( 0.000 22.078 -16.789) 27.737 8.949 ( 0.000 -2.743 7.140) 7.649 8.955 ( 0.000 12.801 3.459) 13.260 9.132 ( 0.000 5.151 -2.456) 5.707 9.177 ( 0.000 -3.788 -4.093) 5.577 9.337 ( 0.000 4.552 15.444) 16.101 9.557 ( 0.000 -1.737 8.168) 8.350 9.861 ( 0.000 2.967 5.601) 6.338 9.886 ( 0.000 3.165 -0.027) 3.165 10.004 ( 0.000 10.801 -0.769) 10.829 10.238 ( 0.000 5.174 -3.278) 6.125 10.766 ( 0.000 -6.593 8.568) 10.811 10.867 ( 0.000 -8.072 0.595) 8.093 11.092 ( 0.000 2.218 -5.552) 5.979 11.387 ( 0.000 7.485 -11.663) 13.858 11.417 ( 0.000 1.323 -9.772) 9.861 11.586 ( 0.000 29.482 -21.920) 36.738 11.630 ( 0.000 6.281 1.701) 6.507 11.928 ( 0.000 7.692 -8.362) 11.362 11.971 ( 0.000 2.795 8.280) 8.739 12.287 ( 0.000 -2.167 13.359) 13.533 12.364 ( 0.000 17.960 -17.204) 24.870 12.883 ( 0.000 -25.867 12.259) 28.625 12.961 ( 0.000 -21.926 10.782) 24.433 13.111 ( 0.000 -20.200 -10.915) 22.960 13.442 ( 0.000 -7.464 -23.026) 24.206 13.585 ( 0.000 5.911 5.968) 8.400 13.630 ( 0.000 -19.410 -14.278) 24.096 14.057 ( 0.000 3.284 -12.042) 12.481 14.343 ( 0.000 0.586 5.271) 5.304 14.546 ( 0.000 5.087 -5.168) 7.252 15.120 ( 0.000 19.941 8.304) 21.601 15.296 ( 0.000 1.505 5.972) 6.159 15.496 ( 0.000 8.415 -1.516) 8.550 15.534 ( 0.000 23.614 -7.973) 24.924 15.672 ( 0.000 2.831 15.711) 15.964 16.270 ( 0.000 -3.222 -7.188) 7.877 17.512 ( 0.000 -1.952 15.489) 15.611 17.967 ( 0.000 -39.749 15.673) 42.727 18.085 ( 0.000 -29.854 -5.670) 30.388 18.273 ( 0.000 -36.930 -3.226) 37.071 18.509 ( 0.000 -13.070 8.706) 15.704 19.201 ( 0.000 19.932 -14.835) 24.847 20.295 ( 0.000 21.116 4.147) 21.520 20.335 ( 0.000 -4.190 10.629) 11.425 21.120 ( 0.000 21.554 1.777) 21.627 21.283 ( 0.000 14.250 -5.356) 15.223 21.547 ( 0.000 5.723 5.311) 7.808 21.726 ( 0.000 6.696 -3.725) 7.662 23.882 ( 0.000 -0.539 4.627) 4.659 24.337 ( 0.000 -5.630 -13.345) 14.484 25.083 ( 0.000 -9.596 13.960) 16.940 25.546 ( 0.000 -15.884 -2.758) 16.122 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 15.044 15.080 16.730) 27.086 1.079 ( 17.977 14.185 17.132) 28.599 1.923 ( 0.184 5.500 -20.117) 20.856 1.974 ( 16.547 31.178 33.061) 48.362 2.124 ( 0.761 4.341 -15.438) 16.055 2.280 ( -6.738 5.777 4.902) 10.139 2.449 ( -5.048 3.679 0.569) 6.272 2.502 ( -9.880 8.517 2.393) 13.262 2.781 ( -2.716 2.164 6.905) 7.729 2.846 ( -6.439 6.107 -4.073) 9.764 2.876 ( -7.294 5.042 1.548) 9.001 2.960 ( 1.002 5.549 4.449) 7.183 3.137 ( -1.480 5.003 1.184) 5.350 3.303 ( 4.153 6.189 -0.941) 7.512 3.315 ( 5.421 6.521 -3.619) 9.220 3.355 ( 3.762 4.820 2.055) 6.451 3.517 ( 2.315 3.739 -2.930) 5.284 3.643 ( 1.459 3.877 4.524) 6.134 3.765 ( 6.253 1.554 -9.208) 11.238 4.002 ( -7.235 -3.125 -0.183) 7.883 4.266 ( 1.499 2.417 2.540) 3.813 4.489 ( -9.215 0.978 3.715) 9.983 4.818 ( 4.006 -1.657 -4.644) 6.354 5.025 ( -2.752 -0.154 -5.493) 6.146 5.239 ( 2.041 25.306 1.737) 25.447 5.352 ( 3.097 27.803 -2.892) 28.124 5.426 ( -0.416 25.864 1.368) 25.903 5.507 ( -1.784 27.515 -1.634) 27.621 5.770 ( 3.885 3.364 0.839) 5.207 5.948 ( 6.127 -0.192 -5.184) 8.028 6.277 ( -6.231 -1.262 7.796) 10.060 6.405 ( -4.734 -2.029 0.241) 5.156 7.005 ( 7.215 -0.925 1.625) 7.454 7.170 ( 5.159 -5.508 -2.742) 8.030 7.297 ( 2.847 1.993 1.634) 3.840 7.387 ( 9.333 -3.752 -2.214) 10.299 7.540 ( 7.709 0.666 -0.782) 7.777 7.781 ( 5.047 -5.968 -9.400) 12.225 7.829 ( 2.574 2.255 6.681) 7.506 8.002 ( -9.243 -1.189 1.862) 9.504 8.247 ( 1.022 5.163 -1.218) 5.402 8.331 ( -7.369 -1.327 -2.689) 7.956 8.461 ( 4.166 11.447 -6.259) 13.695 8.657 ( 7.628 16.741 -14.091) 23.173 8.966 ( 1.753 -3.172 4.556) 5.822 9.006 ( 4.408 10.404 4.050) 12.003 9.160 ( 1.191 4.732 -1.512) 5.108 9.178 ( 0.898 -0.467 -4.160) 4.281 9.294 ( -2.253 0.441 9.737) 10.004 9.547 ( -0.611 2.281 4.232) 4.846 9.752 ( -11.526 5.073 -0.345) 12.598 9.899 ( -8.630 10.313 -3.725) 13.954 9.980 ( 5.566 3.300 5.914) 8.766 10.153 ( -6.181 9.754 -0.930) 11.584 10.753 ( -0.299 -6.854 9.260) 11.524 10.855 ( -0.892 -5.646 2.330) 6.173 11.055 ( -3.077 -0.719 -8.565) 9.130 11.159 ( -14.741 10.711 -15.027) 23.618 11.416 ( -7.683 5.873 -5.386) 11.069 11.451 ( -9.142 18.345 -11.718) 23.610 11.644 ( 4.683 6.472 0.493) 8.004 11.918 ( -2.873 2.268 -0.842) 3.756 12.051 ( 8.823 10.251 9.558) 16.561 12.287 ( 7.088 2.892 6.123) 9.803 12.660 ( 14.641 2.075 -14.055) 20.401 12.885 ( 0.178 -25.709 11.397) 28.122 12.935 ( -1.837 -21.621 9.211) 23.573 13.103 ( -0.968 -20.022 -9.839) 22.330 13.421 ( -1.510 -5.605 -11.767) 13.121 13.520 ( -4.536 -8.755 -4.245) 10.736 13.723 ( 6.526 -6.722 -10.918) 14.387 14.025 ( -2.940 1.254 -12.659) 13.056 14.397 ( 4.899 3.059 4.390) 7.255 14.617 ( 5.206 8.806 -4.092) 11.018 15.027 ( -7.041 16.512 13.315) 22.350 15.317 ( 2.003 6.089 5.201) 8.255 15.438 ( -6.251 16.024 -2.895) 17.442 15.500 ( 0.274 12.413 -1.587) 12.518 15.677 ( 0.660 3.300 14.277) 14.668 16.163 ( -10.628 -2.776 -4.670) 11.936 17.527 ( 1.546 -2.596 16.102) 16.383 17.844 ( -9.042 -26.545 18.377) 33.528 18.148 ( 3.681 -35.081 -3.382) 35.436 18.265 ( -0.831 -36.616 -3.057) 36.752 18.533 ( 2.463 -11.940 8.950) 15.124 19.043 ( -14.880 15.664 4.026) 21.977 20.129 ( -7.530 7.918 2.970) 11.323 20.414 ( 2.826 10.004 1.533) 10.508 20.985 ( -21.750 32.458 6.173) 39.556 21.107 ( -9.484 19.109 5.046) 21.922 21.235 ( -6.527 14.567 -4.845) 16.682 21.472 ( -15.514 11.861 -4.742) 20.096 24.030 ( 13.917 -4.379 6.998) 16.182 24.597 ( 4.534 -8.874 -14.645) 17.714 25.374 ( 23.155 -17.684 -0.497) 29.140 25.635 ( 7.678 -18.208 -3.742) 20.112 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 20.469 12.426 8.178) 25.304 1.481 ( 21.147 7.762 11.775) 25.418 1.786 ( -16.483 8.350 -2.623) 18.663 1.879 ( -17.216 5.813 4.370) 18.689 2.221 ( 4.503 12.244 -0.596) 13.059 2.313 ( -3.348 8.269 -0.203) 8.923 2.441 ( 3.891 2.355 -13.765) 14.497 2.502 ( 11.550 6.017 3.645) 13.524 2.677 ( 0.186 6.033 4.305) 7.414 2.746 ( -4.197 5.721 6.334) 9.511 2.818 ( 5.090 8.443 3.993) 10.637 3.029 ( 4.255 6.917 7.182) 10.841 3.056 ( -5.404 5.104 5.194) 9.068 3.305 ( -17.612 9.427 6.695) 21.068 3.407 ( 2.047 6.737 0.379) 7.051 3.434 ( 3.419 6.077 -1.906) 7.229 3.438 ( 0.496 5.982 -0.576) 6.030 3.560 ( -6.426 0.735 -3.944) 7.576 3.863 ( 6.530 1.656 -8.763) 11.053 3.943 ( -0.103 0.997 -0.268) 1.037 4.337 ( 3.236 -0.786 -0.920) 3.455 4.382 ( -2.561 -1.043 2.949) 4.043 4.887 ( 3.541 -0.552 -4.370) 5.652 4.960 ( -3.623 -0.880 -4.079) 5.527 5.297 ( 3.709 26.385 1.294) 26.676 5.366 ( -2.552 26.837 0.447) 26.962 5.425 ( 1.198 30.536 -2.022) 30.627 5.462 ( -2.441 29.885 -1.702) 30.033 5.878 ( 6.525 0.486 0.318) 6.551 5.991 ( -3.355 -0.491 -3.734) 5.044 6.220 ( 2.048 -0.638 5.109) 5.541 6.304 ( -5.223 -2.095 1.669) 5.870 7.138 ( 5.397 -2.427 -0.923) 5.989 7.200 ( -1.036 -3.419 -2.450) 4.332 7.370 ( 3.801 0.142 2.626) 4.622 7.447 ( -3.034 -1.647 -0.215) 3.459 7.764 ( 12.933 -0.536 -0.937) 12.978 7.862 ( 2.678 -6.605 -0.957) 7.191 7.882 ( 0.742 -1.690 3.020) 3.539 7.976 ( 4.298 -2.724 -3.335) 6.085 8.133 ( -8.032 0.927 -1.638) 8.250 8.209 ( -6.754 -0.982 -1.253) 6.939 8.620 ( 12.576 17.400 -2.306) 21.593 8.782 ( 1.446 18.013 -6.273) 19.129 9.004 ( 2.371 -5.409 1.684) 6.141 9.064 ( -1.044 -0.165 0.969) 1.433 9.190 ( 1.897 4.784 0.374) 5.160 9.200 ( 2.167 3.109 -1.164) 3.965 9.254 ( -0.611 -0.060 1.435) 1.561 9.431 ( -15.555 5.645 -2.904) 16.801 9.597 ( 3.856 9.996 -1.138) 10.774 9.716 ( -8.337 13.390 -2.885) 16.035 10.036 ( 1.626 13.199 -1.257) 13.358 10.089 ( -1.925 6.142 -3.058) 7.126 10.749 ( 0.537 -3.600 3.369) 4.960 10.850 ( -10.383 5.502 -3.977) 12.405 10.914 ( 7.710 -2.059 5.099) 9.470 11.060 ( -3.328 -6.085 -6.935) 9.808 11.258 ( -4.567 8.605 -3.382) 10.312 11.300 ( -6.185 5.462 -7.417) 11.096 11.749 ( 5.417 4.569 1.232) 7.193 11.848 ( -4.430 2.826 1.047) 5.358 12.251 ( 10.055 11.004 11.464) 18.805 12.374 ( -0.863 6.233 9.402) 11.313 12.828 ( 3.161 -13.526 -3.217) 14.258 12.869 ( -1.837 -20.597 5.929) 21.512 12.966 ( 5.536 -18.591 -0.296) 19.399 13.063 ( -3.468 -17.896 -8.091) 19.944 13.398 ( -0.397 -7.976 -2.555) 8.385 13.429 ( -3.775 -10.546 -2.502) 11.478 13.851 ( 6.112 -4.261 -13.655) 15.556 13.953 ( -4.374 -1.947 -13.714) 14.526 14.502 ( 5.439 8.389 4.674) 11.036 14.610 ( -5.304 13.999 6.288) 16.237 15.063 ( 10.693 11.441 -1.708) 15.752 15.275 ( -8.596 15.511 -4.521) 18.301 15.409 ( 4.536 6.391 5.317) 9.471 15.494 ( -2.419 9.667 2.514) 10.277 15.721 ( 5.149 1.763 11.406) 12.637 15.907 ( -13.300 -1.137 3.233) 13.734 17.576 ( 3.688 -5.250 18.543) 19.621 17.679 ( -7.055 -12.402 21.264) 25.607 18.206 ( 2.302 -36.059 -3.034) 36.260 18.242 ( -1.467 -36.214 -2.889) 36.359 18.609 ( 5.458 -7.566 10.469) 14.023 18.764 ( -11.178 2.279 13.453) 17.639 20.149 ( 8.736 11.686 -13.063) 19.584 20.368 ( -9.584 11.721 -11.579) 19.061 20.764 ( -0.233 28.417 7.134) 29.299 20.886 ( -10.904 20.634 3.263) 23.565 21.188 ( 0.773 17.272 -3.072) 17.560 21.256 ( -6.606 16.142 -4.509) 18.015 24.316 ( 13.696 -6.152 3.863) 15.503 24.534 ( -8.195 -7.056 -3.180) 11.272 25.687 ( 9.015 -17.002 -4.561) 19.777 25.754 ( 2.151 -19.500 -5.238) 20.305 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.347 ( 0.000 28.898 3.368) 29.093 1.365 ( 0.000 26.713 11.214) 28.971 2.107 ( 0.000 6.759 -19.367) 20.512 2.147 ( 0.000 13.975 -18.837) 23.455 2.534 ( 0.000 23.202 14.374) 27.294 2.552 ( 0.000 5.627 -0.539) 5.653 2.589 ( 0.000 24.550 15.280) 28.917 2.888 ( 0.000 7.805 8.649) 11.650 2.955 ( 0.000 5.603 9.311) 10.866 2.965 ( 0.000 12.231 2.710) 12.528 3.098 ( 0.000 3.390 0.939) 3.518 3.120 ( 0.000 6.533 -3.014) 7.195 3.219 ( 0.000 10.401 -4.840) 11.472 3.270 ( 0.000 0.256 8.780) 8.784 3.394 ( 0.000 8.043 0.607) 8.066 3.550 ( 0.000 8.936 -4.323) 9.926 3.601 ( 0.000 9.756 -0.618) 9.776 3.774 ( 0.000 10.258 3.731) 10.916 3.799 ( 0.000 10.406 -10.592) 14.848 4.034 ( 0.000 4.278 2.564) 4.988 4.336 ( 0.000 5.071 1.058) 5.180 4.662 ( 0.000 1.706 4.198) 4.532 4.756 ( 0.000 2.717 -9.279) 9.668 5.037 ( 0.000 -1.281 -5.604) 5.748 5.636 ( 0.000 12.455 -2.030) 12.620 5.730 ( 0.000 8.482 -4.320) 9.519 5.892 ( 0.000 13.705 5.285) 14.689 5.944 ( 0.000 5.185 3.300) 6.147 6.086 ( 0.000 35.143 0.751) 35.151 6.156 ( 0.000 34.083 -1.635) 34.122 6.411 ( 0.000 13.531 2.783) 13.815 6.528 ( 0.000 12.740 -2.188) 12.927 6.938 ( 0.000 1.584 1.563) 2.225 7.058 ( 0.000 0.721 -1.908) 2.040 7.288 ( 0.000 0.893 0.901) 1.268 7.407 ( 0.000 9.926 -2.995) 10.368 7.524 ( 0.000 6.994 -6.137) 9.305 7.609 ( 0.000 -5.510 -11.850) 13.068 7.945 ( 0.000 9.310 9.378) 13.214 8.153 ( 0.000 1.569 2.832) 3.238 8.202 ( 0.000 -2.087 -0.447) 2.134 8.363 ( 0.000 1.766 -3.423) 3.851 8.736 ( 0.000 17.019 -8.262) 18.918 8.831 ( 0.000 -6.804 11.069) 12.993 8.869 ( 0.000 11.133 -10.723) 15.458 9.038 ( 0.000 2.776 -2.214) 3.551 9.290 ( 0.000 12.536 1.676) 12.647 9.304 ( 0.000 11.843 0.362) 11.849 9.498 ( 0.000 11.362 11.918) 16.466 9.603 ( 0.000 6.079 7.895) 9.964 9.924 ( 0.000 2.057 1.501) 2.547 10.109 ( 0.000 16.027 -5.263) 16.869 10.231 ( 0.000 11.241 4.060) 11.952 10.392 ( 0.000 6.907 -0.058) 6.907 10.686 ( 0.000 0.182 -2.068) 2.076 10.770 ( 0.000 1.198 -5.009) 5.150 11.124 ( 0.000 1.734 4.836) 5.137 11.370 ( 0.000 -3.526 -2.939) 4.590 11.377 ( 0.000 -8.576 -3.375) 9.217 11.772 ( 0.000 7.538 4.864) 8.971 11.903 ( 0.000 1.494 -20.024) 20.080 12.035 ( 0.000 1.750 15.728) 15.825 12.134 ( 0.000 7.253 -7.108) 10.155 12.176 ( 0.000 -10.462 15.748) 18.906 12.346 ( 0.000 -13.535 -2.314) 13.731 12.386 ( 0.000 -17.595 4.465) 18.153 12.565 ( 0.000 -28.888 -1.130) 28.910 12.604 ( 0.000 -11.745 5.959) 13.170 13.345 ( 0.000 -6.726 -31.067) 31.787 13.553 ( 0.000 9.793 -31.869) 33.340 13.624 ( 0.000 -0.906 4.867) 4.950 14.060 ( 0.000 -3.150 -11.736) 12.151 14.360 ( 0.000 2.602 1.860) 3.198 14.658 ( 0.000 5.952 -7.174) 9.322 15.274 ( 0.000 -3.881 8.471) 9.318 15.521 ( 0.000 18.032 6.777) 19.263 15.695 ( 0.000 10.954 -2.809) 11.308 15.716 ( 0.000 3.630 16.223) 16.624 15.892 ( 0.000 7.744 -0.581) 7.766 16.190 ( 0.000 -4.575 -4.502) 6.419 17.401 ( 0.000 -6.804 -1.167) 6.904 17.537 ( 0.000 -7.346 -1.448) 7.488 17.549 ( 0.000 -24.375 -2.332) 24.487 17.577 ( 0.000 -31.013 -2.762) 31.136 18.240 ( 0.000 -11.872 23.858) 26.648 19.453 ( 0.000 5.992 -21.308) 22.135 19.994 ( 0.000 -25.192 28.693) 38.182 20.464 ( 0.000 -3.653 2.457) 4.403 21.614 ( 0.000 26.803 0.752) 26.813 21.671 ( 0.000 21.437 -1.564) 21.494 21.778 ( 0.000 17.549 2.407) 17.713 21.902 ( 0.000 8.399 -2.629) 8.800 23.906 ( 0.000 2.622 0.977) 2.798 24.204 ( 0.000 -7.026 -10.706) 12.806 24.827 ( 0.000 -15.765 11.361) 19.432 25.188 ( 0.000 -20.383 -2.755) 20.569 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 9.383 23.060 8.898) 26.438 1.496 ( 10.231 25.239 5.515) 27.787 2.078 ( -1.537 10.517 -15.530) 18.819 2.247 ( 6.132 9.181 -17.858) 20.996 2.428 ( -9.921 12.309 2.429) 15.995 2.535 ( -2.016 6.662 -1.329) 7.086 2.658 ( -5.393 16.396 11.518) 20.750 2.693 ( -0.455 23.067 15.708) 27.911 2.863 ( -5.005 5.597 4.678) 8.847 2.959 ( -5.059 7.958 -0.261) 9.433 3.071 ( 1.086 10.150 7.169) 12.473 3.114 ( -2.750 11.060 0.596) 11.412 3.230 ( 1.841 4.688 0.047) 5.037 3.380 ( 6.069 4.041 1.204) 7.390 3.487 ( 5.194 7.844 -1.193) 9.483 3.519 ( 3.436 10.345 1.406) 10.991 3.650 ( 0.098 9.046 -2.673) 9.434 3.749 ( -1.352 6.782 4.235) 8.109 3.874 ( 4.841 9.211 -8.134) 13.208 4.022 ( -1.170 6.068 5.368) 8.186 4.349 ( 1.516 5.768 -1.355) 6.116 4.551 ( -8.208 5.608 1.550) 10.060 4.810 ( 3.773 0.741 -5.890) 7.034 5.011 ( -2.463 -0.914 -5.861) 6.423 5.688 ( 4.530 12.723 -0.874) 13.534 5.767 ( 3.708 7.429 -3.072) 8.853 5.935 ( 3.244 11.602 2.535) 12.311 5.976 ( 2.632 6.584 0.542) 7.111 6.076 ( -0.278 33.600 1.738) 33.646 6.162 ( 0.365 35.537 -1.825) 35.586 6.365 ( -4.490 13.582 2.990) 14.614 6.471 ( -5.544 14.653 -1.361) 15.726 7.003 ( 5.867 1.020 1.680) 6.188 7.110 ( 4.145 -0.397 -0.884) 4.257 7.335 ( 4.248 -1.513 0.262) 4.517 7.406 ( 0.749 8.607 -1.711) 8.808 7.602 ( 7.030 4.720 -5.888) 10.314 7.669 ( 5.410 -4.433 -10.282) 12.436 7.938 ( 0.055 8.709 6.338) 10.771 8.031 ( -7.580 4.898 1.291) 9.117 8.226 ( -1.289 -4.000 0.836) 4.285 8.335 ( -3.607 3.195 -3.921) 6.212 8.766 ( 4.065 15.607 -4.743) 16.811 8.851 ( 1.693 -5.157 6.888) 8.770 8.937 ( 5.045 8.228 -6.905) 11.867 9.044 ( 1.279 3.568 -2.477) 4.528 9.292 ( 0.069 8.590 1.991) 8.819 9.342 ( 0.546 8.839 3.605) 9.562 9.416 ( -2.638 14.220 5.918) 15.626 9.673 ( 5.279 10.505 5.536) 12.995 9.854 ( -7.623 6.243 -0.152) 9.854 10.077 ( -4.594 9.601 -3.788) 11.298 10.239 ( 2.079 14.112 2.044) 14.410 10.421 ( 1.034 14.045 0.483) 14.091 10.617 ( -4.132 -4.522 1.292) 6.260 10.769 ( 0.620 0.115 -3.851) 3.902 11.060 ( -5.957 2.108 2.612) 6.838 11.195 ( -10.549 -0.792 -6.895) 12.627 11.410 ( -2.195 -6.413 -0.513) 6.797 11.716 ( -5.219 0.886 -6.060) 8.047 11.821 ( -6.677 9.903 -2.220) 12.148 11.971 ( -6.484 0.131 6.029) 8.854 12.179 ( 9.043 -8.283 8.865) 15.132 12.281 ( 5.101 1.607 -2.748) 6.013 12.356 ( 1.344 -23.129 7.489) 24.349 12.477 ( 5.944 -17.954 0.273) 18.914 12.541 ( -1.400 -20.100 1.880) 20.236 12.616 ( 1.667 -13.400 4.828) 14.340 13.341 ( -0.185 -4.001 -23.065) 23.411 13.527 ( -2.945 8.763 -25.335) 26.968 13.670 ( 4.447 -2.108 -5.353) 7.272 14.007 ( -4.841 -2.887 -13.383) 14.522 14.448 ( 8.071 2.947 2.587) 8.974 14.773 ( 9.912 6.873 -6.864) 13.878 15.196 ( -7.005 -0.030 8.391) 10.931 15.534 ( 1.464 14.384 7.600) 16.334 15.645 ( -4.144 9.795 1.636) 10.760 15.735 ( 1.193 4.597 10.293) 11.335 15.840 ( -4.017 9.978 2.331) 11.006 16.102 ( -8.693 -2.789 -2.023) 9.351 17.404 ( 0.468 -8.993 -0.521) 9.020 17.509 ( -2.184 -11.473 -0.537) 11.691 17.563 ( 1.043 -24.161 -2.951) 24.363 17.589 ( 0.597 -25.373 -3.119) 25.571 18.286 ( 4.804 -11.204 24.415) 27.289 19.183 ( -23.774 -1.484 11.188) 26.317 20.006 ( 3.460 -13.152 0.297) 13.603 20.461 ( -1.935 -6.838 -1.261) 7.217 21.538 ( -11.285 22.949 2.490) 25.694 21.578 ( -5.381 27.176 2.279) 27.797 21.668 ( -4.119 25.817 -1.869) 26.210 21.808 ( -7.661 17.606 -4.990) 19.838 23.956 ( 8.464 -2.339 5.190) 10.200 24.389 ( 5.641 -11.210 -11.911) 17.302 24.973 ( 15.062 -21.088 6.942) 26.828 25.245 ( 4.850 -21.490 -2.795) 22.207 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 16.870 13.915 8.685) 23.530 1.735 ( 14.069 20.746 1.865) 25.136 1.978 ( -10.058 10.623 -3.889) 15.137 2.085 ( -18.066 14.604 3.733) 23.529 2.441 ( 2.243 6.124 -7.803) 10.170 2.471 ( 1.130 12.499 -3.053) 12.916 2.519 ( 0.467 6.226 -10.554) 12.263 2.675 ( -8.621 8.190 -6.215) 13.417 2.859 ( 2.304 12.867 10.498) 16.765 2.898 ( -2.862 10.350 4.117) 11.500 3.068 ( 4.652 12.531 8.484) 15.832 3.164 ( -2.883 7.264 6.092) 9.909 3.267 ( 11.913 16.282 3.362) 20.454 3.491 ( 3.781 6.948 1.480) 8.048 3.566 ( -2.162 11.803 5.299) 13.118 3.584 ( 0.888 7.776 -1.421) 7.955 3.607 ( -3.224 7.442 1.528) 8.254 3.627 ( -7.108 9.274 0.863) 11.717 3.958 ( 4.310 7.229 -0.644) 8.441 4.015 ( -0.610 6.443 3.131) 7.189 4.386 ( 1.671 5.553 -3.677) 6.867 4.425 ( -3.652 6.236 -1.065) 7.304 4.886 ( 3.763 0.328 -5.331) 6.534 4.953 ( -3.209 -0.014 -5.597) 6.452 5.781 ( 4.902 12.700 0.651) 13.629 5.848 ( 0.920 3.073 -0.567) 3.257 5.957 ( 2.105 20.269 -2.669) 20.552 6.021 ( -0.465 6.788 -3.407) 7.609 6.111 ( 3.724 29.373 2.026) 29.677 6.172 ( 0.095 36.446 -1.252) 36.467 6.268 ( -2.943 12.116 3.997) 13.093 6.337 ( -7.064 15.693 0.684) 17.223 7.119 ( 4.776 0.929 1.431) 5.071 7.164 ( 0.402 0.422 0.702) 0.913 7.412 ( 2.861 0.669 -0.492) 2.979 7.434 ( 0.954 2.436 -0.401) 2.647 7.758 ( 6.286 1.243 -4.475) 7.816 7.780 ( 4.733 -2.952 -5.695) 7.972 7.926 ( -0.982 4.679 -0.128) 4.782 7.964 ( 1.063 2.642 -0.625) 2.915 8.157 ( -3.621 1.454 0.527) 3.938 8.214 ( -7.487 6.460 -1.295) 9.974 8.874 ( 3.312 0.947 0.687) 3.512 8.888 ( 1.862 -3.655 0.383) 4.120 9.022 ( 7.199 9.935 1.502) 12.360 9.136 ( 6.581 9.506 -4.758) 12.503 9.229 ( -8.834 5.714 4.579) 11.474 9.264 ( -3.767 4.870 1.026) 6.242 9.483 ( 5.819 16.184 0.900) 17.222 9.642 ( -10.737 14.073 -2.548) 17.883 9.821 ( 8.224 13.734 2.328) 16.176 9.965 ( -6.309 12.769 -0.992) 14.277 10.287 ( 2.178 10.676 -0.451) 10.905 10.355 ( -5.218 13.234 -1.284) 14.284 10.630 ( 5.008 -5.648 3.638) 8.380 10.771 ( -5.143 -3.622 -3.684) 7.290 10.972 ( 1.181 5.141 -1.210) 5.411 11.042 ( -4.261 2.599 -7.852) 9.304 11.356 ( -0.131 0.568 0.551) 0.802 11.493 ( -13.042 5.727 -2.882) 14.532 11.808 ( 3.418 0.813 3.854) 5.215 11.886 ( -3.998 -1.111 2.081) 4.642 12.304 ( 3.650 -15.994 3.357) 16.745 12.337 ( 0.280 -13.185 2.024) 13.342 12.409 ( 3.460 -18.604 4.053) 19.353 12.468 ( -2.855 -23.765 3.044) 24.129 12.623 ( 5.042 -8.176 4.345) 10.543 12.658 ( 1.399 -8.290 5.801) 10.214 13.354 ( 2.240 2.266 -15.994) 16.308 13.439 ( -5.560 7.673 -18.924) 21.164 13.777 ( 6.048 -3.869 -12.252) 14.201 13.896 ( -6.055 -3.701 -14.248) 15.918 14.633 ( 10.259 5.057 4.022) 12.124 14.828 ( -7.918 7.447 4.370) 11.716 15.217 ( 13.089 4.286 -6.885) 15.398 15.486 ( -10.331 6.496 -8.558) 14.905 15.615 ( 4.001 11.642 12.782) 17.746 15.721 ( -5.213 4.663 13.494) 15.199 15.801 ( 2.631 9.820 4.630) 11.171 15.909 ( -8.575 2.725 5.155) 10.370 17.424 ( 1.602 -11.565 0.140) 11.676 17.464 ( -2.311 -12.390 0.113) 12.604 17.582 ( 0.845 -23.194 -3.231) 23.433 17.593 ( -0.185 -23.306 -3.350) 23.546 18.435 ( 10.798 -9.141 26.248) 29.818 18.729 ( -19.758 -5.827 27.023) 33.979 20.143 ( 9.861 -8.048 -14.652) 19.409 20.347 ( -9.477 -9.245 -11.186) 17.333 21.389 ( -2.385 29.846 4.264) 30.243 21.437 ( -6.334 29.906 3.889) 30.815 21.645 ( 0.646 25.881 -3.211) 26.088 21.689 ( -4.071 24.206 -4.362) 24.930 24.170 ( 11.375 -7.807 3.483) 14.229 24.354 ( -6.820 -10.422 -2.687) 12.741 25.246 ( 9.460 -25.206 -1.138) 26.947 25.319 ( 1.209 -23.829 -2.584) 24.000 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.888 ( 0.000 26.046 6.160) 26.765 1.901 ( 0.000 26.565 -2.006) 26.641 2.320 ( 0.000 13.939 -14.358) 20.011 2.432 ( 0.000 13.975 -13.288) 19.284 2.691 ( 0.000 8.313 -0.012) 8.313 2.755 ( 0.000 10.370 -2.630) 10.698 3.044 ( 0.000 7.821 8.878) 11.832 3.074 ( 0.000 6.320 9.163) 11.132 3.083 ( 0.000 2.594 7.893) 8.308 3.161 ( 0.000 7.785 2.947) 8.324 3.251 ( 0.000 6.828 -2.420) 7.244 3.320 ( 0.000 31.387 16.305) 35.369 3.375 ( 0.000 4.607 -3.592) 5.842 3.389 ( 0.000 9.504 2.880) 9.931 3.569 ( 0.000 10.447 0.912) 10.487 3.624 ( 0.000 -0.367 -5.461) 5.474 3.815 ( 0.000 11.965 -0.577) 11.979 3.975 ( 0.000 9.560 3.944) 10.341 4.022 ( 0.000 10.371 -2.029) 10.567 4.237 ( 0.000 13.872 10.715) 17.528 4.462 ( 0.000 8.245 -7.055) 10.852 4.751 ( 0.000 7.715 -0.984) 7.777 4.824 ( 0.000 3.593 -9.245) 9.919 5.017 ( 0.000 -0.351 -4.795) 4.808 5.781 ( 0.000 -0.623 -2.342) 2.423 5.783 ( 0.000 4.959 -3.900) 6.309 5.939 ( 0.000 -3.053 3.230) 4.444 6.011 ( 0.000 1.013 1.213) 1.580 6.688 ( 0.000 16.375 0.354) 16.379 6.735 ( 0.000 24.354 -1.508) 24.401 6.806 ( 0.000 18.017 0.719) 18.031 6.837 ( 0.000 13.020 -0.252) 13.023 7.027 ( 0.000 11.663 2.959) 12.032 7.128 ( 0.000 7.250 -1.268) 7.360 7.346 ( 0.000 6.131 2.677) 6.690 7.510 ( 0.000 -2.556 -5.012) 5.626 7.692 ( 0.000 16.636 -8.870) 18.853 7.726 ( 0.000 13.657 -9.878) 16.854 8.158 ( 0.000 -2.287 7.406) 7.751 8.174 ( 0.000 13.196 6.834) 14.861 8.253 ( 0.000 8.804 1.469) 8.925 8.441 ( 0.000 6.354 -4.133) 7.580 8.754 ( 0.000 2.290 9.945) 10.205 8.952 ( 0.000 3.145 -2.343) 3.922 9.088 ( 0.000 16.911 -4.294) 17.448 9.288 ( 0.000 17.194 -7.749) 18.860 9.586 ( 0.000 18.195 2.997) 18.440 9.594 ( 0.000 16.299 3.383) 16.646 9.734 ( 0.000 11.221 7.220) 13.343 9.762 ( 0.000 9.583 5.121) 10.866 10.016 ( 0.000 8.293 5.520) 9.962 10.253 ( 0.000 2.673 3.771) 4.622 10.459 ( 0.000 2.885 5.727) 6.412 10.547 ( 0.000 18.674 -7.772) 20.226 10.759 ( 0.000 4.252 -10.970) 11.765 10.877 ( 0.000 2.999 -10.270) 10.699 11.039 ( 0.000 -19.959 3.605) 20.282 11.162 ( 0.000 -3.588 -1.162) 3.771 11.257 ( 0.000 -10.965 -2.516) 11.250 11.509 ( 0.000 -29.967 -10.321) 31.695 11.727 ( 0.000 -12.514 8.214) 14.969 11.894 ( 0.000 -24.529 -0.386) 24.532 11.919 ( 0.000 -0.052 16.992) 16.992 12.218 ( 0.000 6.353 13.981) 15.357 12.222 ( 0.000 8.211 -0.627) 8.235 12.332 ( 0.000 9.743 0.494) 9.755 12.503 ( 0.000 1.160 9.663) 9.733 12.506 ( 0.000 7.670 -2.623) 8.107 13.203 ( 0.000 -7.680 -28.475) 29.492 13.581 ( 0.000 -2.854 4.278) 5.143 13.725 ( 0.000 6.037 -23.833) 24.586 13.939 ( 0.000 -8.615 -3.114) 9.160 14.479 ( 0.000 9.465 -10.506) 14.141 14.763 ( 0.000 4.331 -8.944) 9.938 15.171 ( 0.000 -5.873 7.835) 9.792 15.731 ( 0.000 3.209 -9.327) 9.864 15.732 ( 0.000 -3.572 15.079) 15.496 15.892 ( 0.000 6.747 0.862) 6.802 15.901 ( 0.000 -3.240 2.177) 3.903 16.100 ( 0.000 -4.781 -0.870) 4.859 17.097 ( 0.000 -15.166 1.474) 15.238 17.196 ( 0.000 -11.793 3.356) 12.262 17.354 ( 0.000 -7.184 -3.573) 8.024 17.454 ( 0.000 4.777 -15.304) 16.033 18.122 ( 0.000 0.475 26.251) 26.255 19.468 ( 0.000 -3.445 -24.176) 24.420 19.471 ( 0.000 -26.383 34.470) 43.408 20.257 ( 0.000 -15.139 -0.543) 15.149 21.985 ( 0.000 10.369 -0.345) 10.374 21.989 ( 0.000 3.550 -0.722) 3.623 22.126 ( 0.000 20.970 0.901) 20.989 22.166 ( 0.000 18.375 -0.582) 18.384 23.967 ( 0.000 3.181 -0.364) 3.202 24.092 ( 0.000 -4.013 -6.187) 7.375 24.497 ( 0.000 -16.910 8.178) 18.784 24.766 ( 0.000 -21.896 -2.738) 22.066 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 2.347 23.616 4.833) 24.219 1.995 ( 6.694 24.487 0.373) 25.389 2.323 ( -1.767 13.532 -9.969) 16.900 2.457 ( 3.362 11.404 -14.025) 18.387 2.662 ( -8.319 9.428 0.500) 12.584 2.690 ( -2.548 10.696 -1.265) 11.068 2.809 ( -9.864 7.464 4.753) 13.252 2.981 ( -7.034 7.055 2.771) 10.340 3.117 ( -1.794 10.919 2.553) 11.357 3.180 ( 1.075 8.856 6.127) 10.822 3.289 ( -5.300 10.155 2.836) 11.800 3.326 ( 2.022 9.995 -0.586) 10.215 3.410 ( 7.314 13.819 5.939) 16.725 3.470 ( 7.426 9.119 3.497) 12.269 3.617 ( 3.847 7.141 -2.449) 8.473 3.713 ( 8.763 9.290 3.971) 13.374 3.846 ( 0.172 10.977 -0.596) 10.994 3.911 ( -4.226 8.508 6.294) 11.395 4.054 ( 2.103 7.681 -0.504) 7.979 4.224 ( -1.326 12.795 10.691) 16.727 4.490 ( 2.425 8.770 -7.601) 11.856 4.708 ( -4.139 10.166 -2.303) 11.216 4.850 ( 2.405 3.213 -7.872) 8.836 4.998 ( -1.689 -0.005 -5.587) 5.837 5.795 ( 1.591 -0.486 -1.932) 2.550 5.814 ( 2.450 2.131 -3.093) 4.484 5.965 ( 2.407 -3.010 2.014) 4.348 6.020 ( 0.789 -0.298 0.503) 0.982 6.688 ( -1.807 20.915 1.165) 21.025 6.705 ( -3.015 17.336 -0.129) 17.597 6.809 ( 3.659 23.234 1.563) 23.572 6.887 ( 2.490 19.943 -1.323) 20.141 7.067 ( 4.269 7.058 1.712) 8.424 7.154 ( 2.665 6.173 -1.166) 6.824 7.345 ( 0.267 4.402 2.792) 5.219 7.576 ( 6.233 -2.353 -4.972) 8.313 7.645 ( -4.242 14.557 -6.944) 16.677 7.779 ( 4.316 11.680 -10.139) 16.058 8.099 ( -4.394 1.343 6.503) 7.963 8.194 ( -5.333 10.615 0.819) 11.907 8.226 ( 3.947 10.233 6.580) 12.790 8.468 ( 2.303 10.879 -4.265) 11.910 8.795 ( 3.321 2.125 8.594) 9.456 8.923 ( -1.921 3.609 -0.637) 4.138 9.169 ( 5.246 16.333 -3.017) 17.418 9.264 ( -1.286 13.877 -5.388) 14.942 9.493 ( -4.238 12.469 2.700) 13.444 9.545 ( -6.398 12.273 2.913) 14.144 9.739 ( 4.201 16.739 4.131) 17.746 9.905 ( 8.001 10.400 3.892) 13.687 10.022 ( -0.143 11.519 4.234) 12.274 10.224 ( -1.659 6.930 2.353) 7.504 10.464 ( 0.020 7.817 1.967) 8.061 10.538 ( -2.154 5.857 -2.848) 6.860 10.671 ( -6.893 5.422 -6.993) 11.217 10.863 ( 0.310 2.401 -5.908) 6.385 11.072 ( -1.177 -15.862 -2.928) 16.173 11.113 ( -2.586 0.496 1.516) 3.039 11.198 ( -4.211 -9.902 -3.590) 11.344 11.449 ( -4.539 -30.692 -9.737) 32.518 11.726 ( -0.667 -12.437 5.587) 13.651 11.838 ( -5.280 -4.058 8.931) 11.141 11.905 ( -0.122 -21.059 3.160) 21.296 12.131 ( -7.660 3.073 9.679) 12.720 12.278 ( 2.649 9.663 1.988) 10.215 12.315 ( -1.290 6.383 4.238) 7.769 12.478 ( 3.179 1.585 4.636) 5.840 12.611 ( 5.086 4.272 3.784) 7.644 13.265 ( 5.793 -4.044 -23.469) 24.509 13.560 ( -1.455 -3.932 -1.360) 4.407 13.729 ( 0.393 5.694 -20.577) 21.354 13.918 ( -2.846 -6.004 -7.738) 10.199 14.548 ( 6.988 7.700 -6.408) 12.214 14.880 ( 9.704 3.865 -7.551) 12.889 15.142 ( -2.095 -4.044 5.544) 7.175 15.702 ( -3.495 1.924 -10.410) 11.149 15.725 ( -0.665 -2.778 14.632) 14.908 15.826 ( -4.883 1.733 3.855) 6.458 15.920 ( 0.793 1.830 1.334) 2.400 16.064 ( -3.281 -2.136 0.247) 3.923 17.098 ( 0.121 -14.499 1.832) 14.615 17.174 ( -1.993 -11.000 2.861) 11.540 17.367 ( 1.298 -6.678 -4.675) 8.254 17.452 ( -0.394 2.859 -14.117) 14.409 18.163 ( 4.249 -0.589 27.655) 27.986 19.029 ( -25.058 -12.326 24.832) 37.370 19.736 ( 10.366 -13.536 -11.816) 20.743 20.223 ( -3.947 -15.637 -4.261) 16.680 21.897 ( -3.800 12.653 1.833) 13.338 22.041 ( 0.985 8.241 -3.124) 8.868 22.074 ( -5.185 21.334 1.403) 22.000 22.140 ( -1.605 19.052 -0.801) 19.136 23.945 ( 2.009 0.934 2.737) 3.521 24.190 ( 2.635 -8.630 -7.072) 11.464 24.583 ( 9.269 -18.134 6.298) 21.317 24.809 ( 3.413 -22.280 -2.645) 22.695 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 8.781 16.512 5.958) 19.628 2.152 ( 7.232 19.950 -0.643) 21.230 2.201 ( -7.537 12.143 1.259) 14.347 2.388 ( -13.110 15.100 1.566) 20.058 2.595 ( 7.390 9.570 -10.484) 16.003 2.680 ( 0.079 9.816 -5.719) 11.361 2.720 ( -1.116 13.010 -2.439) 13.284 2.823 ( -8.776 7.703 -5.651) 12.972 3.105 ( 0.458 12.039 3.016) 12.419 3.142 ( -3.526 12.485 1.850) 13.104 3.246 ( 1.799 6.928 2.547) 7.597 3.301 ( -3.102 6.266 -0.898) 7.050 3.588 ( 9.253 7.020 2.592) 11.900 3.647 ( 9.540 13.712 9.117) 19.030 3.720 ( 4.372 7.409 0.982) 8.659 3.754 ( -7.486 8.718 1.266) 11.561 3.819 ( 0.598 11.650 1.803) 11.804 3.847 ( -3.660 12.909 10.014) 16.743 4.111 ( 3.883 6.910 4.349) 9.042 4.183 ( -2.976 10.297 8.899) 13.931 4.543 ( 2.924 9.916 -6.952) 12.458 4.614 ( -4.623 11.933 -4.329) 13.510 4.907 ( 3.068 2.229 -7.257) 8.188 4.960 ( -2.246 1.035 -6.831) 7.264 5.833 ( 1.941 -2.055 -1.170) 3.060 5.851 ( 0.594 -1.113 -1.946) 2.319 6.013 ( 1.995 -3.065 0.027) 3.657 6.031 ( 0.084 -2.235 -0.509) 2.293 6.638 ( -1.699 19.776 2.039) 19.954 6.647 ( -2.369 18.526 1.775) 18.761 6.890 ( 2.876 31.719 -0.421) 31.852 6.913 ( 0.187 28.268 -1.577) 28.313 7.174 ( 5.372 5.081 1.660) 7.578 7.215 ( 1.879 5.048 0.770) 5.441 7.380 ( 4.424 -0.386 0.601) 4.482 7.520 ( -7.989 4.452 -3.890) 9.939 7.737 ( 9.032 -1.341 -3.428) 9.753 7.853 ( 0.651 6.730 -5.824) 8.924 8.002 ( -2.867 2.970 0.572) 4.167 8.070 ( -6.512 10.435 -0.602) 12.315 8.348 ( 7.984 17.752 4.095) 19.891 8.477 ( -3.179 19.117 -1.614) 19.447 8.842 ( 1.504 1.327 5.223) 5.595 8.881 ( -2.414 1.473 1.870) 3.390 9.223 ( 3.930 10.316 2.257) 11.268 9.300 ( 0.517 10.614 -1.943) 10.803 9.423 ( -3.010 12.146 0.246) 12.516 9.449 ( -2.415 11.488 -0.863) 11.771 9.822 ( 5.022 16.541 3.466) 17.631 9.947 ( -6.395 16.531 0.937) 17.749 10.094 ( 10.380 10.377 1.264) 14.732 10.224 ( -0.251 14.655 1.961) 14.788 10.425 ( -6.511 -0.863 -5.014) 8.263 10.426 ( -4.358 6.482 -5.315) 9.448 10.644 ( 6.085 5.196 7.885) 11.234 10.817 ( -8.159 4.355 1.121) 9.317 11.013 ( 0.210 -6.887 -3.925) 7.930 11.052 ( -3.425 -3.150 -5.677) 7.341 11.221 ( 5.645 -14.964 -5.279) 16.842 11.350 ( -6.068 -23.609 -8.538) 25.828 11.709 ( -0.314 -10.098 4.551) 11.081 11.741 ( -3.801 -5.493 6.712) 9.469 11.915 ( 1.557 -17.994 3.159) 18.336 11.984 ( -5.903 -6.498 5.772) 10.506 12.295 ( -0.253 5.589 4.662) 7.283 12.296 ( -0.301 7.067 3.718) 7.991 12.590 ( 6.006 -0.187 6.675) 8.981 12.661 ( -0.620 1.195 6.002) 6.151 13.404 ( 7.630 0.597 -17.101) 18.735 13.521 ( -3.578 -1.952 -12.323) 12.979 13.751 ( 2.447 2.544 -14.531) 14.954 13.831 ( -5.196 -2.091 -12.054) 13.292 14.726 ( 10.337 5.102 -0.464) 11.536 14.915 ( -7.532 2.397 2.914) 8.424 15.261 ( 14.777 0.308 -9.414) 17.524 15.550 ( -12.525 -0.390 -13.457) 18.389 15.718 ( 0.160 -1.697 13.732) 13.838 15.742 ( -2.663 0.546 11.158) 11.484 15.946 ( 1.965 3.152 1.122) 3.880 15.996 ( -3.167 2.303 1.236) 4.106 17.106 ( 0.831 -12.825 2.344) 13.064 17.133 ( -1.918 -11.134 2.506) 11.573 17.400 ( 1.905 -4.563 -7.669) 9.125 17.434 ( -1.417 -0.985 -11.272) 11.404 18.300 ( 10.234 -3.467 31.070) 32.895 18.582 ( -19.078 -7.510 32.710) 38.605 19.922 ( 9.299 -13.470 -16.224) 23.046 20.099 ( -8.356 -15.022 -11.939) 20.929 21.870 ( 1.365 18.345 3.084) 18.652 21.946 ( -5.908 20.252 2.401) 21.233 22.069 ( 1.427 15.113 -2.910) 15.456 22.104 ( -2.006 17.863 -2.057) 18.093 24.040 ( 6.419 -4.952 2.415) 8.459 24.156 ( -4.745 -9.098 -1.481) 10.367 24.775 ( 7.884 -21.780 0.538) 23.169 24.852 ( -0.109 -22.869 -1.838) 22.943 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.369 ( 0.000 20.980 -2.224) 21.097 2.369 ( 0.000 22.591 2.577) 22.738 2.600 ( 0.000 13.085 -10.155) 16.563 2.654 ( 0.000 8.089 -7.551) 11.066 2.869 ( 0.000 9.749 0.143) 9.750 2.962 ( 0.000 10.610 -3.976) 11.331 3.073 ( 0.000 -0.089 9.935) 9.936 3.184 ( 0.000 4.121 8.592) 9.529 3.191 ( 0.000 4.640 3.470) 5.795 3.320 ( 0.000 9.226 3.476) 9.859 3.374 ( 0.000 5.419 -2.589) 6.006 3.428 ( 0.000 1.010 -4.112) 4.234 3.546 ( 0.000 6.230 -0.489) 6.249 3.604 ( 0.000 0.652 -2.780) 2.855 3.767 ( 0.000 7.978 6.512) 10.298 3.921 ( 0.000 27.512 11.615) 29.864 4.025 ( 0.000 7.528 4.407) 8.723 4.155 ( 0.000 9.727 -0.128) 9.728 4.158 ( 0.000 4.357 1.371) 4.567 4.490 ( 0.000 11.200 11.355) 15.950 4.669 ( 0.000 11.757 -8.908) 14.751 4.871 ( 0.000 1.087 -7.155) 7.237 4.949 ( 0.000 11.462 -7.248) 13.561 5.044 ( 0.000 3.182 -4.246) 5.306 5.741 ( 0.000 -2.080 2.463) 3.224 5.856 ( 0.000 2.503 -2.156) 3.303 5.913 ( 0.000 0.685 0.142) 0.699 6.014 ( 0.000 0.473 -4.200) 4.227 6.843 ( 0.000 3.280 0.461) 3.312 6.954 ( 0.000 5.194 -2.515) 5.771 7.010 ( 0.000 6.601 -0.574) 6.626 7.046 ( 0.000 8.375 -2.685) 8.795 7.231 ( 0.000 0.741 4.096) 4.163 7.362 ( 0.000 15.355 4.606) 16.031 7.534 ( 0.000 11.137 0.273) 11.140 7.551 ( 0.000 6.965 3.454) 7.774 7.957 ( 0.000 8.099 -6.934) 10.662 8.045 ( 0.000 17.859 -9.625) 20.287 8.131 ( 0.000 0.580 12.054) 12.068 8.409 ( 0.000 11.184 1.856) 11.337 8.505 ( 0.000 15.107 0.436) 15.113 8.614 ( 0.000 11.088 -4.692) 12.040 8.947 ( 0.000 15.539 7.203) 17.127 9.040 ( 0.000 5.028 1.032) 5.133 9.375 ( 0.000 12.139 -0.665) 12.157 9.571 ( 0.000 8.937 -6.866) 11.270 9.801 ( 0.000 4.498 3.923) 5.969 9.878 ( 0.000 5.738 2.995) 6.473 9.921 ( 0.000 5.539 3.025) 6.312 10.055 ( 0.000 20.592 -1.781) 20.669 10.218 ( 0.000 7.957 9.114) 12.099 10.366 ( 0.000 7.462 3.313) 8.164 10.584 ( 0.000 -5.878 -3.829) 7.015 10.641 ( 0.000 -31.253 -9.443) 32.649 10.674 ( 0.000 6.813 0.578) 6.838 10.703 ( 0.000 -14.532 -3.999) 15.072 10.790 ( 0.000 -3.670 -4.198) 5.576 10.904 ( 0.000 6.256 -7.463) 9.739 11.061 ( 0.000 -3.844 -3.814) 5.415 11.327 ( 0.000 8.817 3.412) 9.454 11.634 ( 0.000 1.044 13.103) 13.145 11.667 ( 0.000 -1.632 -6.921) 7.111 11.914 ( 0.000 0.826 3.274) 3.377 12.301 ( 0.000 2.594 7.424) 7.864 12.390 ( 0.000 7.018 2.276) 7.377 12.557 ( 0.000 12.433 19.535) 23.156 12.572 ( 0.000 -1.258 -7.775) 7.876 12.722 ( 0.000 17.978 4.259) 18.475 13.055 ( 0.000 -6.978 -17.547) 18.883 13.527 ( 0.000 -2.523 4.101) 4.814 13.741 ( 0.000 -10.463 4.795) 11.509 13.798 ( 0.000 0.969 -13.489) 13.524 14.703 ( 0.000 12.388 -13.409) 18.256 14.807 ( 0.000 -0.150 -7.091) 7.093 15.067 ( 0.000 -4.306 6.212) 7.558 15.580 ( 0.000 -9.740 3.537) 10.363 15.694 ( 0.000 -6.349 -12.300) 13.842 15.853 ( 0.000 -1.717 -5.361) 5.629 15.903 ( 0.000 -3.679 -5.876) 6.932 15.994 ( 0.000 -5.456 -9.836) 11.247 16.995 ( 0.000 2.816 11.036) 11.390 17.100 ( 0.000 1.049 9.679) 9.736 17.178 ( 0.000 -7.697 14.517) 16.431 17.605 ( 0.000 6.964 -16.698) 18.092 18.227 ( 0.000 9.049 13.846) 16.540 19.014 ( 0.000 -19.016 34.148) 39.086 19.351 ( 0.000 -7.697 -23.539) 24.766 19.924 ( 0.000 -18.000 -3.505) 18.338 21.997 ( 0.000 -1.555 0.775) 1.738 22.086 ( 0.000 0.616 -2.554) 2.627 22.419 ( 0.000 6.799 0.875) 6.856 22.450 ( 0.000 10.509 -0.332) 10.515 24.017 ( 0.000 1.648 -0.344) 1.684 24.042 ( 0.000 -1.950 -2.054) 2.832 24.203 ( 0.000 -11.935 4.504) 12.757 24.363 ( 0.000 -18.344 -1.912) 18.443 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -1.726 21.052 2.030) 21.220 2.431 ( 3.840 19.753 -0.494) 20.128 2.553 ( -5.901 8.825 -3.541) 11.191 2.675 ( 3.165 10.442 -10.696) 15.280 2.820 ( -6.945 7.712 1.843) 10.541 2.907 ( -2.680 10.475 0.501) 10.824 2.975 ( -2.143 9.019 0.622) 9.291 3.128 ( -5.079 7.168 1.491) 8.910 3.299 ( 0.153 7.477 3.590) 8.296 3.315 ( 3.291 5.488 3.981) 7.537 3.388 ( -0.355 4.707 -1.341) 4.907 3.457 ( 0.736 -0.357 -3.972) 4.056 3.528 ( 2.661 8.045 0.394) 8.483 3.650 ( 3.897 3.094 -3.312) 5.977 3.878 ( 10.380 7.915 8.120) 15.373 3.951 ( 1.854 17.347 9.572) 19.900 4.034 ( 0.223 6.853 8.662) 11.047 4.077 ( -5.470 9.796 1.206) 11.284 4.166 ( -0.280 6.355 1.392) 6.511 4.478 ( -2.231 12.364 11.179) 16.817 4.676 ( 1.567 8.963 -9.382) 13.070 4.897 ( 1.683 4.209 -7.036) 8.370 4.944 ( -0.373 10.427 -6.716) 12.408 5.043 ( -0.132 5.012 -5.667) 7.567 5.747 ( 0.728 -2.492 2.299) 3.468 5.843 ( -1.164 0.511 -1.598) 2.042 5.940 ( 2.132 0.472 -1.077) 2.435 6.006 ( -0.646 -0.290 -3.733) 3.799 6.898 ( 1.822 4.485 -0.580) 4.875 6.945 ( 0.042 8.241 0.215) 8.244 7.008 ( 4.665 4.850 2.431) 7.155 7.120 ( 1.347 5.398 3.704) 6.684 7.212 ( 4.532 6.870 -4.723) 9.489 7.429 ( 1.525 13.669 -2.509) 13.981 7.502 ( -0.132 7.303 5.097) 8.906 7.605 ( 4.481 7.785 3.119) 9.508 7.892 ( -5.826 8.880 -4.956) 11.720 8.014 ( -5.241 5.504 2.648) 8.049 8.149 ( 2.680 12.669 -3.592) 13.439 8.411 ( -2.180 12.505 1.130) 12.744 8.524 ( 6.067 15.737 2.432) 17.040 8.698 ( 6.128 10.923 -1.805) 12.654 8.983 ( 3.091 15.756 5.830) 17.082 9.015 ( -2.393 4.966 2.593) 6.092 9.449 ( 6.398 10.572 -3.784) 12.924 9.515 ( -4.962 11.246 -2.788) 12.604 9.722 ( -6.143 8.247 0.027) 10.284 9.821 ( -3.366 11.392 1.915) 12.032 9.956 ( -2.506 6.624 4.422) 8.349 10.034 ( 4.145 3.555 -0.418) 5.477 10.281 ( 3.166 10.022 5.780) 11.995 10.415 ( 4.111 3.639 3.331) 6.422 10.548 ( -3.549 -10.782 -5.330) 12.541 10.649 ( 0.862 -7.115 -6.343) 9.571 10.677 ( -2.014 -13.184 0.534) 13.348 10.710 ( -0.155 0.064 -0.624) 0.646 10.765 ( -0.116 -8.591 -5.824) 10.380 10.853 ( -3.712 4.355 -9.863) 11.403 10.994 ( -4.816 -6.105 -0.815) 7.818 11.255 ( -7.279 9.750 2.253) 12.374 11.624 ( -0.709 0.621 10.051) 10.095 11.701 ( 3.522 -0.263 -5.105) 6.207 11.846 ( -6.388 1.642 2.317) 6.991 12.204 ( -7.829 3.195 2.797) 8.906 12.464 ( 4.136 5.322 3.975) 7.825 12.490 ( -2.069 11.088 15.763) 19.383 12.626 ( -3.945 6.671 1.791) 7.954 12.651 ( 1.422 6.251 0.107) 6.411 13.178 ( 9.266 -4.283 -12.203) 15.910 13.483 ( -2.925 -3.570 2.105) 5.073 13.769 ( 1.511 -5.435 -0.805) 5.698 13.814 ( 1.324 -0.505 -11.099) 11.190 14.737 ( 3.926 10.588 -10.240) 15.244 14.918 ( 8.711 -0.055 -5.076) 10.082 15.062 ( 0.490 -3.801 3.995) 5.536 15.588 ( 0.618 -8.501 0.866) 8.568 15.650 ( -4.610 -7.186 -9.221) 12.567 15.810 ( -3.773 -1.153 -5.573) 6.828 15.909 ( 0.550 -3.214 -6.850) 7.587 15.985 ( -0.920 -4.984 -9.696) 10.941 17.003 ( 0.794 2.867 10.925) 11.323 17.085 ( -1.289 1.002 9.961) 10.094 17.212 ( 3.350 -6.713 12.239) 14.356 17.563 ( -4.339 5.058 -13.964) 15.473 18.248 ( 2.174 8.256 15.431) 17.636 18.786 ( -16.739 -10.261 29.410) 35.361 19.482 ( 8.668 -12.305 -17.915) 23.398 19.890 ( -3.623 -17.721 -6.354) 19.171 22.017 ( 2.249 0.796 1.270) 2.703 22.125 ( 3.565 0.984 -2.784) 4.629 22.363 ( -5.120 7.373 1.699) 9.136 22.424 ( -2.772 9.129 -0.715) 9.568 23.973 ( -1.298 1.425 1.087) 2.213 24.051 ( -1.187 -5.993 -1.743) 6.353 24.288 ( 7.180 -11.337 2.558) 13.661 24.406 ( 3.414 -17.997 -1.671) 18.394 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 1.947 16.591 4.017) 17.181 2.410 ( -6.998 10.585 3.022) 13.044 2.525 ( 5.828 16.562 -0.640) 17.569 2.655 ( -7.109 11.964 -0.409) 13.922 2.785 ( 5.783 9.072 -8.384) 13.639 2.879 ( -2.402 9.005 -4.900) 10.529 2.954 ( 0.340 10.776 -1.322) 10.862 3.013 ( -5.614 11.685 -2.087) 13.130 3.305 ( 0.904 7.230 1.924) 7.536 3.330 ( -1.259 5.866 1.971) 6.315 3.384 ( 0.986 7.844 -0.723) 7.939 3.419 ( -2.471 5.805 -4.426) 7.707 3.671 ( 8.699 3.447 3.841) 10.114 3.749 ( 3.949 1.191 1.039) 4.253 3.905 ( -4.605 6.979 4.484) 9.488 3.934 ( -5.620 7.423 0.470) 9.322 4.079 ( 2.793 11.420 9.855) 15.340 4.089 ( 4.015 12.909 7.657) 15.537 4.196 ( 6.737 2.749 7.239) 10.264 4.375 ( -8.182 7.861 8.422) 14.131 4.748 ( 5.434 10.837 -6.574) 13.791 4.858 ( -4.921 12.227 -5.147) 14.149 4.982 ( 3.148 5.583 -8.242) 10.440 5.030 ( -1.500 6.703 -7.743) 10.351 5.773 ( 1.881 -2.986 1.422) 3.805 5.813 ( -1.944 -2.089 -0.285) 2.868 5.975 ( 1.310 -1.014 -2.472) 2.975 5.993 ( -0.674 -1.360 -3.103) 3.454 6.885 ( -0.045 7.980 3.232) 8.609 6.917 ( -3.020 9.488 4.106) 10.770 7.168 ( 8.084 3.092 -1.781) 8.837 7.231 ( 8.581 7.915 1.440) 11.762 7.294 ( 0.606 4.567 -4.199) 6.234 7.380 ( -2.208 7.406 -4.131) 8.763 7.570 ( 3.791 15.523 3.085) 16.275 7.679 ( -2.780 8.389 0.357) 8.845 7.756 ( -0.591 7.724 2.588) 8.168 7.881 ( -7.616 -1.087 7.180) 10.523 8.222 ( 4.784 16.270 -8.777) 19.095 8.327 ( -5.465 15.138 -4.539) 16.722 8.724 ( 11.627 17.215 3.992) 21.154 8.807 ( 4.375 11.223 1.681) 12.162 8.941 ( -3.428 3.860 5.867) 7.815 8.998 ( -4.930 15.453 3.975) 16.701 9.462 ( 2.634 13.712 -0.455) 13.970 9.537 ( -0.169 11.132 -4.771) 12.112 9.641 ( -1.353 9.253 -0.893) 9.394 9.717 ( -6.680 16.054 0.201) 17.389 9.973 ( 8.264 -0.286 3.161) 8.852 10.180 ( -1.531 -2.302 -2.634) 3.818 10.239 ( 2.672 9.173 2.805) 9.957 10.450 ( -6.443 -2.283 -0.618) 6.864 10.503 ( 1.070 -2.494 -1.794) 3.253 10.554 ( -5.267 -2.603 -2.460) 6.370 10.665 ( 0.513 -10.039 -4.970) 11.214 10.678 ( -1.081 -14.660 -5.235) 15.604 10.835 ( 4.140 -6.289 -2.139) 7.827 10.872 ( 5.880 3.640 2.794) 7.459 10.918 ( -2.475 0.069 -4.532) 5.165 11.068 ( -10.762 9.556 2.255) 14.568 11.624 ( 1.608 0.673 4.629) 4.946 11.706 ( -6.520 1.006 3.221) 7.342 11.819 ( 8.343 2.728 -2.864) 9.233 12.014 ( -10.856 4.333 -0.426) 11.697 12.458 ( 1.021 9.767 12.098) 15.582 12.507 ( -3.135 11.244 5.863) 13.063 12.606 ( 4.234 2.012 6.205) 7.777 12.669 ( -1.323 0.600 3.364) 3.664 13.343 ( 6.792 -5.251 -8.238) 11.899 13.433 ( -2.830 -5.136 -3.509) 6.834 13.795 ( 1.451 -0.176 -6.804) 6.959 13.822 ( -0.804 0.339 -9.355) 9.396 14.844 ( 6.295 6.535 -3.166) 9.610 14.952 ( -4.042 1.669 2.543) 5.059 15.222 ( 13.543 -4.385 -6.364) 15.593 15.476 ( -11.233 -6.723 -8.214) 15.455 15.641 ( 3.192 -5.085 -0.873) 6.067 15.723 ( -4.773 -1.805 -4.636) 6.894 15.929 ( 1.453 -3.313 -8.378) 9.125 15.960 ( -1.558 -4.072 -9.237) 10.214 17.025 ( 1.422 2.666 10.511) 10.937 17.056 ( -1.629 1.839 10.100) 10.394 17.306 ( 6.212 -4.402 5.864) 9.610 17.444 ( -7.286 0.148 -4.827) 8.741 18.321 ( 5.761 5.440 20.253) 21.748 18.492 ( -12.108 -0.714 26.748) 29.369 19.642 ( 7.777 -14.542 -16.309) 23.193 19.786 ( -6.708 -16.389 -12.093) 21.444 22.088 ( 4.922 4.301 1.718) 6.759 22.178 ( -1.420 4.073 -1.423) 4.542 22.277 ( -0.111 6.069 1.381) 6.225 22.348 ( -4.635 6.753 -1.130) 8.268 23.978 ( 1.433 -1.710 1.070) 2.474 24.015 ( -2.101 -5.234 -0.145) 5.642 24.415 ( 4.748 -14.745 0.318) 15.493 24.454 ( 0.708 -17.144 -0.946) 17.185 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.692 ( 0.000 8.351 -2.143) 8.621 2.724 ( 0.000 9.626 -2.447) 9.932 2.783 ( 0.000 9.396 -2.415) 9.702 2.827 ( 0.000 13.550 -5.113) 14.483 3.053 ( 0.000 7.705 0.038) 7.705 3.069 ( 0.000 0.989 6.839) 6.910 3.164 ( 0.000 7.727 -1.944) 7.968 3.219 ( 0.000 0.128 7.516) 7.517 3.261 ( 0.000 3.469 1.382) 3.734 3.417 ( 0.000 -0.882 -5.446) 5.517 3.476 ( 0.000 4.992 -0.595) 5.027 3.487 ( 0.000 7.076 3.230) 7.778 3.636 ( 0.000 3.053 -0.248) 3.063 3.657 ( 0.000 2.853 -0.371) 2.877 3.855 ( 0.000 1.404 9.900) 9.999 4.073 ( 0.000 -1.280 2.465) 2.777 4.250 ( 0.000 5.671 1.724) 5.928 4.340 ( 0.000 8.675 -1.255) 8.765 4.394 ( 0.000 19.245 8.282) 20.951 4.680 ( 0.000 8.497 4.182) 9.470 4.865 ( 0.000 7.267 -4.089) 8.339 4.890 ( 0.000 1.311 -3.889) 4.104 5.125 ( 0.000 4.681 -3.982) 6.146 5.151 ( 0.000 8.165 -8.127) 11.520 5.754 ( 0.000 3.955 3.369) 5.195 5.887 ( 0.000 1.173 0.013) 1.173 5.946 ( 0.000 1.993 -1.878) 2.739 6.041 ( 0.000 1.760 -6.897) 7.118 6.910 ( 0.000 4.857 1.479) 5.077 7.073 ( 0.000 7.182 -2.617) 7.644 7.139 ( 0.000 6.689 -0.979) 6.760 7.162 ( 0.000 4.149 -2.356) 4.771 7.241 ( 0.000 2.270 9.455) 9.723 7.602 ( 0.000 9.806 3.041) 10.267 7.701 ( 0.000 7.504 12.466) 14.550 7.706 ( 0.000 5.700 -2.645) 6.284 8.044 ( 0.000 2.604 -4.466) 5.170 8.174 ( 0.000 3.041 8.412) 8.945 8.382 ( 0.000 15.299 -5.744) 16.342 8.616 ( 0.000 8.301 -3.474) 8.998 8.779 ( 0.000 11.815 -5.355) 12.972 8.853 ( 0.000 12.448 -3.253) 12.866 9.132 ( 0.000 4.960 7.607) 9.081 9.233 ( 0.000 10.651 -0.792) 10.680 9.563 ( 0.000 -12.733 -7.723) 14.892 9.583 ( 0.000 10.009 2.878) 10.415 9.829 ( 0.000 -2.471 3.659) 4.416 9.836 ( 0.000 -11.111 0.201) 11.113 9.914 ( 0.000 -22.254 -3.575) 22.540 9.922 ( 0.000 -3.210 -7.577) 8.229 10.103 ( 0.000 -13.745 -8.803) 16.322 10.170 ( 0.000 -5.136 -2.738) 5.820 10.569 ( 0.000 6.673 5.716) 8.786 10.627 ( 0.000 9.355 -3.706) 10.062 10.723 ( 0.000 0.485 11.579) 11.589 10.801 ( 0.000 12.699 1.111) 12.747 10.980 ( 0.000 6.482 6.969) 9.518 11.014 ( 0.000 13.436 4.620) 14.209 11.095 ( 0.000 10.722 -8.566) 13.724 11.594 ( 0.000 -2.112 -0.676) 2.218 11.646 ( 0.000 0.356 12.500) 12.505 11.786 ( 0.000 25.598 -11.785) 28.181 12.035 ( 0.000 11.751 -5.603) 13.019 12.332 ( 0.000 -12.682 -10.971) 16.769 12.377 ( 0.000 5.855 7.398) 9.435 12.600 ( 0.000 4.480 0.396) 4.497 12.802 ( 0.000 10.773 14.009) 17.672 12.936 ( 0.000 -4.949 -1.791) 5.263 13.060 ( 0.000 15.199 7.002) 16.734 13.478 ( 0.000 -2.845 4.129) 5.014 13.531 ( 0.000 -10.308 8.510) 13.367 13.775 ( 0.000 -3.582 -3.911) 5.303 14.768 ( 0.000 -2.955 -1.387) 3.264 14.895 ( 0.000 3.594 2.548) 4.405 15.013 ( 0.000 -0.435 4.012) 4.036 15.445 ( 0.000 -1.156 -18.024) 18.061 15.506 ( 0.000 -11.466 -2.896) 11.826 15.841 ( 0.000 0.965 -17.174) 17.202 15.848 ( 0.000 -1.245 -19.616) 19.656 15.917 ( 0.000 -2.072 -20.307) 20.412 17.092 ( 0.000 -0.987 25.048) 25.068 17.101 ( 0.000 6.017 16.485) 17.549 17.178 ( 0.000 5.552 13.590) 14.681 17.662 ( 0.000 -1.751 -5.341) 5.621 18.440 ( 0.000 11.952 5.104) 12.996 18.773 ( 0.000 -4.866 23.001) 23.510 19.190 ( 0.000 -8.316 -19.510) 21.208 19.573 ( 0.000 -17.424 -5.419) 18.247 21.953 ( 0.000 -2.433 0.936) 2.607 22.046 ( 0.000 -3.666 -2.693) 4.549 22.441 ( 0.000 -3.474 2.173) 4.097 22.526 ( 0.000 -2.141 -1.094) 2.404 23.959 ( 0.000 -5.784 1.327) 5.934 24.023 ( 0.000 -2.230 -0.902) 2.405 24.080 ( 0.000 -1.841 0.088) 1.843 24.081 ( 0.000 -8.839 0.037) 8.839 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -3.340 6.815 -0.012) 7.590 2.727 ( -4.394 13.658 0.913) 14.377 2.768 ( 2.195 13.100 -1.547) 13.372 2.843 ( 1.264 7.703 -7.075) 10.535 2.965 ( -3.579 6.989 1.344) 7.966 3.087 ( -2.779 6.585 -2.089) 7.447 3.134 ( -0.190 6.724 2.826) 7.296 3.243 ( 0.250 4.990 1.071) 5.109 3.340 ( 5.356 -0.864 2.996) 6.198 3.421 ( 0.702 -2.017 -4.333) 4.831 3.447 ( -1.520 6.397 2.333) 6.977 3.510 ( 1.153 5.925 0.902) 6.103 3.663 ( 3.061 5.102 -0.390) 5.963 3.684 ( 2.735 0.616 -0.441) 2.838 3.919 ( 5.326 -1.990 9.172) 10.791 4.057 ( -1.843 -0.901 2.833) 3.498 4.191 ( -3.565 8.218 2.310) 9.251 4.309 ( -2.924 8.635 1.444) 9.230 4.372 ( -1.600 13.393 8.325) 15.850 4.683 ( -6.554 7.196 7.613) 12.357 4.816 ( 5.311 7.023 -8.111) 11.971 4.996 ( 5.640 6.361 -4.130) 9.451 5.133 ( -0.029 7.229 -4.497) 8.514 5.168 ( 1.625 6.904 -8.080) 10.751 5.748 ( -0.400 3.134 3.177) 4.480 5.858 ( -2.788 1.344 0.073) 3.095 5.948 ( 0.217 0.041 -2.844) 2.853 6.017 ( -2.127 0.949 -5.923) 6.365 6.971 ( 4.619 4.912 1.368) 6.880 7.081 ( 1.572 5.972 -0.647) 6.209 7.126 ( 0.890 6.984 3.315) 7.782 7.206 ( 1.269 4.333 4.809) 6.596 7.322 ( 9.058 4.899 -3.889) 11.008 7.609 ( 0.483 6.692 8.463) 10.800 7.626 ( -4.448 6.336 -7.081) 10.492 7.779 ( 4.918 6.611 9.911) 12.889 7.988 ( -5.841 4.052 3.603) 7.970 8.112 ( -4.468 5.237 4.587) 8.272 8.459 ( 4.342 14.308 -13.355) 20.048 8.680 ( 2.197 13.922 0.365) 14.099 8.767 ( 4.340 6.954 -6.148) 10.246 8.908 ( 4.056 10.492 0.682) 11.269 9.094 ( -3.553 4.196 8.279) 9.938 9.276 ( 2.688 10.625 -1.422) 11.051 9.583 ( 3.056 -6.497 -6.107) 9.426 9.620 ( 3.608 3.979 -1.973) 5.722 9.802 ( -2.825 -1.013 1.699) 3.449 9.819 ( -2.212 -7.467 -5.608) 9.596 9.923 ( 4.558 -16.496 0.973) 17.141 9.975 ( 3.770 -10.256 -3.949) 11.619 10.094 ( -3.337 -4.476 -2.803) 6.247 10.168 ( 1.728 -10.207 -5.867) 11.899 10.422 ( -9.495 8.373 2.555) 12.915 10.532 ( -9.468 -2.567 -1.208) 9.883 10.696 ( -7.859 -1.498 5.267) 9.579 10.844 ( 4.682 10.671 4.395) 12.454 10.937 ( -6.342 3.342 -1.095) 7.252 11.037 ( 3.384 14.545 4.408) 15.570 11.120 ( 3.994 18.423 2.799) 19.057 11.536 ( -6.984 8.384 6.657) 12.782 11.672 ( 4.985 -0.178 0.316) 4.998 11.768 ( -1.453 15.972 -7.380) 17.655 11.971 ( -6.919 10.685 -8.672) 15.403 12.217 ( -5.635 -2.690 -4.754) 7.848 12.518 ( 6.922 0.519 3.502) 7.775 12.601 ( 0.551 3.665 3.025) 4.784 12.750 ( -4.134 9.044 11.735) 15.382 12.832 ( -5.917 4.272 2.942) 7.868 13.170 ( 6.681 5.160 4.000) 9.342 13.415 ( -3.205 -3.465 5.413) 7.182 13.631 ( 6.413 -7.247 4.259) 10.573 13.787 ( 0.849 -3.699 -3.953) 5.480 14.859 ( 7.779 -2.275 -1.665) 8.274 14.913 ( 2.321 1.302 4.143) 4.924 15.009 ( -0.274 -0.886 4.716) 4.806 15.446 ( -3.624 -8.665 -6.957) 11.688 15.493 ( 2.316 -2.582 -14.777) 15.179 15.802 ( -3.537 0.977 -18.402) 18.765 15.858 ( 0.748 -1.178 -19.395) 19.445 15.916 ( -0.326 -1.788 -20.282) 20.364 17.101 ( 0.730 3.932 17.369) 17.824 17.124 ( 2.096 1.922 21.143) 21.333 17.179 ( 0.527 4.405 14.915) 15.561 17.591 ( -6.967 -2.349 -0.766) 7.392 18.450 ( 1.029 11.619 5.911) 13.077 18.685 ( -7.003 0.361 18.805) 20.070 19.256 ( 5.391 -10.648 -16.789) 20.599 19.547 ( -2.679 -16.916 -7.193) 18.576 21.990 ( 3.775 -2.401 1.177) 4.626 22.092 ( 4.284 -3.623 -2.785) 6.263 22.390 ( -4.828 -3.229 2.509) 6.327 22.483 ( -4.214 -2.524 -1.158) 5.047 23.946 ( -0.646 -4.460 1.004) 4.617 23.987 ( -2.005 -0.333 -0.394) 2.070 24.126 ( 3.616 -10.134 0.120) 10.761 24.136 ( 3.706 -4.957 -0.193) 6.193 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -0.091 9.994 2.673) 10.346 2.637 ( -3.866 13.952 2.792) 14.744 2.813 ( 2.330 12.848 -1.200) 13.112 2.853 ( -1.187 8.023 -4.347) 9.202 2.942 ( 1.787 7.211 -2.694) 7.903 3.010 ( -4.306 4.723 -3.884) 7.479 3.157 ( 2.431 9.042 0.033) 9.363 3.215 ( -2.888 8.194 -1.277) 8.782 3.387 ( 0.992 0.788 0.353) 1.315 3.409 ( -1.273 3.905 1.168) 4.270 3.481 ( 2.879 0.062 0.323) 2.898 3.516 ( -0.698 4.152 0.236) 4.217 3.745 ( 4.549 3.320 1.329) 5.786 3.763 ( 3.904 1.231 0.925) 4.196 3.947 ( -1.822 -2.830 1.947) 3.888 3.992 ( -5.148 -1.059 0.641) 5.295 4.242 ( 9.496 7.429 7.307) 14.098 4.289 ( 1.598 7.336 6.490) 9.924 4.328 ( -2.685 9.208 8.029) 12.509 4.482 ( -12.219 3.948 6.843) 14.550 4.970 ( 7.867 11.340 -5.518) 14.864 5.074 ( -0.908 9.593 -5.326) 11.010 5.127 ( 2.086 8.253 -5.925) 10.372 5.181 ( -1.219 7.382 -8.348) 11.210 5.751 ( 1.064 1.194 2.541) 3.002 5.795 ( -3.193 0.480 0.862) 3.342 5.954 ( 0.517 -1.320 -3.657) 3.922 5.975 ( -1.751 -0.678 -4.408) 4.792 7.017 ( 1.550 6.621 4.390) 8.094 7.067 ( -3.602 6.772 6.076) 9.785 7.218 ( 9.297 2.204 -3.632) 10.221 7.322 ( 4.077 2.189 -0.185) 4.631 7.434 ( 1.573 8.714 -2.314) 9.152 7.513 ( -3.157 7.708 -3.902) 9.198 7.708 ( 6.431 4.971 7.542) 11.088 7.841 ( -4.975 1.057 10.364) 11.545 7.875 ( 2.278 9.065 3.506) 9.982 7.994 ( -7.220 8.547 4.247) 11.968 8.535 ( 4.196 13.409 -14.229) 19.996 8.627 ( -4.717 13.903 -10.159) 17.854 8.911 ( 5.110 4.972 5.921) 9.268 9.001 ( -3.972 2.784 9.039) 10.258 9.062 ( 11.063 11.175 -0.731) 15.741 9.257 ( -5.986 7.716 -2.335) 10.041 9.668 ( 1.144 -2.638 -5.742) 6.422 9.696 ( 1.759 5.096 -4.837) 7.243 9.742 ( 4.480 -0.525 -3.312) 5.596 9.895 ( 8.795 -7.810 1.629) 11.874 9.938 ( -8.320 -3.763 -3.579) 9.808 10.030 ( 3.329 -7.293 3.274) 8.660 10.069 ( 0.733 -3.576 1.354) 3.893 10.215 ( 1.791 -7.040 -4.708) 8.657 10.265 ( -5.807 -3.128 -0.426) 6.610 10.350 ( -6.578 -5.969 -6.385) 10.939 10.539 ( -2.072 -5.389 -1.580) 5.986 10.694 ( -13.509 0.310 -5.637) 14.641 10.986 ( 6.241 8.575 11.500) 15.644 11.071 ( -1.554 8.929 11.425) 14.583 11.241 ( 7.526 22.195 4.017) 23.778 11.388 ( -7.512 18.208 2.456) 19.849 11.732 ( 1.391 11.401 1.784) 11.623 11.813 ( -5.275 8.728 -5.317) 11.502 11.852 ( 8.154 0.731 -12.209) 14.700 12.062 ( -10.513 0.433 -7.466) 12.902 12.610 ( 3.410 4.686 9.252) 10.918 12.653 ( 3.942 3.256 5.327) 7.383 12.679 ( -3.149 6.716 7.443) 10.508 12.734 ( -4.264 5.021 6.159) 9.018 13.282 ( 4.774 0.317 3.190) 5.750 13.358 ( -3.093 -1.977 3.858) 5.325 13.741 ( 4.296 -5.092 -0.118) 6.664 13.791 ( -0.892 -4.090 -3.052) 5.180 14.937 ( 2.120 1.400 5.025) 5.631 14.971 ( -1.001 0.090 5.739) 5.826 15.100 ( 11.076 -7.281 -0.712) 13.274 15.310 ( -9.426 -9.447 -2.205) 13.526 15.586 ( 6.136 1.145 -20.217) 21.159 15.708 ( -5.878 1.424 -19.804) 20.706 15.878 ( 1.219 -1.338 -19.909) 19.991 15.902 ( -1.080 -1.541 -20.258) 20.345 17.119 ( 1.051 5.233 15.061) 15.979 17.138 ( -0.685 5.136 15.006) 15.876 17.250 ( 6.814 -1.002 18.117) 19.382 17.418 ( -9.695 -2.439 9.753) 13.967 18.484 ( 2.640 10.340 8.449) 13.611 18.560 ( -5.217 6.997 12.999) 15.657 19.367 ( 5.687 -13.221 -14.168) 20.196 19.472 ( -4.829 -15.347 -10.897) 19.432 22.092 ( 6.174 -2.319 1.197) 6.703 22.176 ( 1.347 -2.927 -2.317) 3.968 22.295 ( -1.797 -3.319 2.448) 4.499 22.376 ( -6.304 -3.271 -0.955) 7.166 23.944 ( 0.371 -2.292 0.547) 2.386 23.958 ( -1.049 -0.588 0.068) 1.205 24.187 ( 1.978 -10.335 0.029) 10.523 24.192 ( 1.509 -8.547 -0.128) 8.680 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.738 ( 0.000 0.427 0.099) 0.439 2.783 ( 0.000 -0.635 -3.257) 3.318 3.006 ( 0.000 9.845 -1.015) 9.897 3.088 ( 0.000 9.380 0.190) 9.382 3.098 ( 0.000 1.920 3.713) 4.180 3.132 ( 0.000 1.610 0.496) 1.685 3.222 ( 0.000 -0.340 -0.423) 0.543 3.238 ( 0.000 0.858 -2.406) 2.555 3.372 ( 0.000 7.037 1.797) 7.263 3.433 ( 0.000 3.418 -2.268) 4.102 3.564 ( 0.000 3.153 0.703) 3.230 3.576 ( 0.000 1.593 1.887) 2.470 3.653 ( 0.000 -3.009 2.840) 4.138 3.668 ( 0.000 0.234 0.919) 0.949 3.875 ( 0.000 1.508 6.299) 6.477 4.002 ( 0.000 -4.981 1.556) 5.219 4.370 ( 0.000 5.875 2.178) 6.265 4.453 ( 0.000 2.919 0.386) 2.945 4.701 ( 0.000 12.126 2.529) 12.387 4.826 ( 0.000 6.153 0.407) 6.167 4.920 ( 0.000 1.202 -1.024) 1.579 4.940 ( 0.000 0.352 -2.355) 2.381 5.214 ( 0.000 3.997 -3.512) 5.321 5.257 ( 0.000 2.745 -4.847) 5.570 5.875 ( 0.000 7.233 -0.084) 7.234 5.917 ( 0.000 1.846 0.289) 1.868 5.969 ( 0.000 0.115 -1.380) 1.385 6.056 ( 0.000 -0.796 -5.737) 5.792 7.047 ( 0.000 8.288 2.559) 8.674 7.205 ( 0.000 2.415 -1.974) 3.120 7.229 ( 0.000 5.446 -0.206) 5.450 7.262 ( 0.000 5.304 -1.079) 5.412 7.349 ( 0.000 8.843 8.709) 12.412 7.720 ( 0.000 -1.661 -3.973) 4.306 7.781 ( 0.000 5.473 2.335) 5.950 7.856 ( 0.000 7.998 13.766) 15.920 8.062 ( 0.000 0.365 -5.957) 5.968 8.270 ( 0.000 6.852 6.387) 9.367 8.537 ( 0.000 -6.161 -6.903) 9.253 8.617 ( 0.000 -6.857 4.181) 8.031 8.953 ( 0.000 5.730 -7.768) 9.653 9.049 ( 0.000 5.819 1.959) 6.140 9.219 ( 0.000 1.626 1.035) 1.927 9.354 ( 0.000 3.330 -7.425) 8.137 9.364 ( 0.000 6.223 6.403) 8.929 9.480 ( 0.000 -9.633 -6.158) 11.433 9.661 ( 0.000 -10.896 -6.169) 12.521 9.727 ( 0.000 -1.294 -0.862) 1.554 9.845 ( 0.000 -4.832 -3.230) 5.812 9.868 ( 0.000 1.065 -1.708) 2.013 9.931 ( 0.000 -0.590 -12.711) 12.725 10.073 ( 0.000 -6.236 -11.014) 12.656 10.675 ( 0.000 3.812 6.363) 7.417 10.686 ( 0.000 0.923 6.957) 7.018 10.866 ( 0.000 12.613 13.788) 18.687 10.983 ( 0.000 6.779 -0.744) 6.820 11.038 ( 0.000 3.985 2.863) 4.907 11.228 ( 0.000 0.747 8.581) 8.614 11.336 ( 0.000 9.618 9.961) 13.847 11.440 ( 0.000 -11.152 -6.242) 12.780 11.736 ( 0.000 8.317 -3.514) 9.029 12.047 ( 0.000 -13.213 -15.114) 20.075 12.283 ( 0.000 20.233 -7.196) 21.475 12.311 ( 0.000 14.766 3.450) 15.163 12.503 ( 0.000 5.218 1.256) 5.367 12.645 ( 0.000 -0.471 4.083) 4.110 12.884 ( 0.000 -0.032 7.535) 7.536 12.936 ( 0.000 2.809 5.901) 6.536 13.306 ( 0.000 10.212 9.260) 13.785 13.362 ( 0.000 -5.933 7.948) 9.918 13.405 ( 0.000 -4.536 4.165) 6.158 13.662 ( 0.000 -7.687 2.416) 8.058 14.725 ( 0.000 -0.945 4.215) 4.320 14.834 ( 0.000 -5.987 10.158) 11.791 15.033 ( 0.000 2.027 7.479) 7.749 15.287 ( 0.000 -10.254 1.760) 10.404 15.565 ( 0.000 10.334 -32.587) 34.186 15.828 ( 0.000 -1.877 -27.677) 27.741 15.886 ( 0.000 2.843 -24.639) 24.803 15.911 ( 0.000 0.991 -25.125) 25.145 17.120 ( 0.000 2.998 25.830) 26.004 17.185 ( 0.000 1.964 19.539) 19.637 17.293 ( 0.000 6.049 15.648) 16.776 17.561 ( 0.000 -7.199 9.318) 11.775 18.673 ( 0.000 11.292 0.013) 11.292 18.802 ( 0.000 6.561 6.632) 9.329 19.033 ( 0.000 -7.789 -12.897) 15.067 19.252 ( 0.000 -15.054 -5.290) 15.957 21.917 ( 0.000 -0.952 0.747) 1.210 21.972 ( 0.000 -3.444 -1.274) 3.672 22.348 ( 0.000 -4.324 1.499) 4.577 22.421 ( 0.000 -6.832 -1.133) 6.926 23.874 ( 0.000 -2.664 0.761) 2.770 23.910 ( 0.000 -4.849 -0.545) 4.879 24.035 ( 0.000 -0.455 0.553) 0.716 24.054 ( 0.000 -1.184 -0.150) 1.193 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 0.476 3.762 1.060) 3.937 2.848 ( 4.478 -0.378 -4.675) 6.485 2.984 ( -4.048 8.997 0.155) 9.867 3.030 ( -0.504 7.944 0.819) 8.002 3.113 ( -0.778 8.133 -3.024) 8.712 3.134 ( -2.966 -0.183 0.768) 3.069 3.211 ( 4.170 0.529 1.673) 4.525 3.323 ( 4.741 -1.503 0.207) 4.978 3.352 ( -0.885 6.169 1.556) 6.424 3.407 ( -2.461 2.348 -2.805) 4.409 3.533 ( -3.054 1.305 1.710) 3.736 3.575 ( -1.219 -0.267 1.239) 1.759 3.678 ( 3.871 -0.167 2.494) 4.608 3.717 ( 3.866 0.462 0.128) 3.896 3.889 ( 0.875 -0.047 5.423) 5.493 3.991 ( -1.420 -4.668 1.347) 5.062 4.343 ( -1.394 6.604 2.790) 7.303 4.423 ( -2.320 3.169 1.326) 4.145 4.589 ( -6.612 8.615 5.828) 12.325 4.747 ( -9.921 0.502 3.343) 10.481 4.979 ( 10.230 7.941 -4.358) 13.665 5.094 ( 7.956 2.718 -3.629) 9.157 5.245 ( 2.382 4.442 -3.866) 6.352 5.273 ( 1.437 3.416 -5.854) 6.928 5.852 ( -2.076 6.339 0.282) 6.677 5.892 ( -2.714 1.892 0.536) 3.352 5.941 ( -1.970 -0.748 -1.816) 2.782 6.021 ( -3.150 -1.002 -5.133) 6.105 7.099 ( 4.107 6.819 0.635) 7.985 7.173 ( 0.161 3.042 -1.855) 3.566 7.270 ( -0.195 7.865 5.115) 9.384 7.307 ( 1.188 5.692 4.364) 7.270 7.413 ( 10.369 4.136 1.528) 11.267 7.652 ( -4.698 -2.101 -5.965) 7.878 7.797 ( 3.370 9.483 3.393) 10.621 7.895 ( 1.525 7.392 11.752) 13.967 8.057 ( -2.364 1.449 -1.710) 3.258 8.222 ( -3.497 7.162 7.928) 11.242 8.549 ( 0.901 -9.578 -8.054) 12.547 8.693 ( 3.811 -12.173 -1.703) 12.869 8.946 ( 1.466 11.059 -2.748) 11.489 9.084 ( 3.056 6.920 1.027) 7.634 9.191 ( -2.800 4.895 2.057) 6.003 9.347 ( -0.220 -1.143 -5.187) 5.316 9.415 ( 3.607 1.833 1.268) 4.240 9.519 ( 4.022 -5.994 -7.494) 10.405 9.658 ( 0.359 -7.973 -8.754) 11.847 9.748 ( 2.009 -4.338 -0.808) 4.849 9.852 ( 1.895 0.492 -5.912) 6.228 9.933 ( 3.033 0.913 -5.443) 6.297 9.955 ( 5.652 -4.413 -4.084) 8.252 10.079 ( 1.088 -3.777 -7.689) 8.635 10.530 ( -11.991 2.797 5.548) 13.505 10.588 ( -8.625 2.779 6.774) 11.314 10.721 ( -13.403 8.005 7.286) 17.228 10.948 ( -10.397 0.954 -4.597) 11.408 11.046 ( 4.131 8.444 5.679) 10.983 11.197 ( -0.613 3.396 14.620) 15.022 11.407 ( 4.425 2.677 7.537) 9.141 11.499 ( 4.630 -6.156 -0.637) 7.729 11.768 ( 4.215 9.582 -5.929) 12.031 11.993 ( -4.291 -7.567 -15.116) 17.441 12.137 ( -8.481 15.589 0.765) 17.763 12.330 ( -4.623 12.782 -7.770) 15.656 12.560 ( 5.426 2.949 7.140) 9.441 12.672 ( 3.171 3.641 3.818) 6.155 12.847 ( -3.086 2.468 8.045) 8.964 12.904 ( -3.041 3.198 5.621) 7.147 13.316 ( 1.156 7.518 8.454) 11.372 13.357 ( 0.064 -1.405 7.482) 7.613 13.490 ( 6.402 -7.087 3.913) 10.321 13.668 ( 0.370 -8.086 2.053) 8.351 14.798 ( 6.844 -2.380 3.800) 8.183 14.856 ( 2.162 -4.941 9.728) 11.123 15.016 ( -1.679 1.472 7.683) 8.001 15.247 ( -4.060 -9.649 1.673) 10.601 15.600 ( 3.359 9.399 -31.701) 33.236 15.831 ( -0.164 -0.526 -27.005) 27.011 15.863 ( -1.695 2.399 -25.720) 25.888 15.907 ( -0.550 0.498 -25.543) 25.554 17.143 ( 2.367 2.697 24.664) 24.923 17.194 ( 0.845 2.104 19.252) 19.385 17.281 ( -1.086 5.332 15.996) 16.896 17.500 ( -5.765 -5.859 11.848) 14.420 18.680 ( 0.688 11.344 0.285) 11.368 18.778 ( -2.090 8.143 4.894) 9.728 19.065 ( 2.816 -9.076 -11.612) 15.005 19.236 ( -1.629 -14.589 -6.132) 15.909 21.952 ( 3.509 -1.087 0.865) 3.774 22.013 ( 4.018 -3.773 -1.424) 5.693 22.302 ( -4.381 -4.058 1.623) 6.188 22.376 ( -4.314 -6.699 -1.097) 8.044 23.884 ( 1.267 -1.720 0.910) 2.322 23.938 ( 2.058 -4.059 -1.193) 4.705 24.022 ( -0.610 -1.197 1.302) 1.871 24.065 ( 0.472 -2.765 -0.403) 2.833 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 4.372 7.940 1.246) 9.149 2.875 ( -5.370 9.378 0.721) 10.831 2.942 ( 3.916 1.140 -5.611) 6.937 3.017 ( -2.945 4.948 -3.327) 6.650 3.076 ( 0.496 6.290 0.244) 6.315 3.107 ( -1.613 8.514 0.627) 8.688 3.285 ( 2.983 3.197 0.075) 4.373 3.340 ( -2.407 4.950 -0.881) 5.574 3.372 ( 2.310 -1.605 0.168) 2.818 3.420 ( 2.689 -3.414 0.775) 4.415 3.465 ( -1.967 -0.792 2.511) 3.286 3.525 ( -3.683 -2.921 1.672) 4.989 3.774 ( 5.039 1.155 0.834) 5.236 3.807 ( 4.400 1.077 -0.419) 4.549 3.878 ( -1.675 -2.166 1.720) 3.234 3.934 ( -4.489 -3.617 -0.007) 5.765 4.377 ( 5.553 5.582 6.013) 9.907 4.406 ( 1.320 4.224 4.887) 6.593 4.475 ( -4.919 5.750 7.150) 10.410 4.546 ( -10.227 2.194 6.203) 12.160 5.163 ( 7.702 7.713 -6.063) 12.473 5.224 ( 4.066 5.187 -5.403) 8.522 5.267 ( -0.172 5.458 -5.249) 7.574 5.294 ( -0.223 3.959 -7.373) 8.371 5.812 ( -1.283 4.340 1.269) 4.700 5.827 ( -2.816 2.570 0.984) 3.938 5.922 ( 0.306 -2.002 -2.260) 3.035 5.956 ( -2.942 -1.645 -3.509) 4.866 7.148 ( 1.709 5.897 1.577) 6.339 7.198 ( -3.563 6.601 4.608) 8.803 7.245 ( 5.695 0.439 -2.416) 6.202 7.343 ( -2.804 -0.057 1.405) 3.137 7.591 ( 8.174 7.295 2.976) 11.353 7.669 ( 3.191 7.357 -3.023) 8.570 7.864 ( 2.780 7.647 3.058) 8.693 7.916 ( 0.467 7.336 9.873) 12.308 7.987 ( -1.090 3.610 3.305) 5.015 8.109 ( -8.354 5.276 7.100) 12.167 8.588 ( 3.461 -11.377 -7.391) 14.001 8.673 ( -4.309 -13.400 -7.831) 16.107 9.029 ( 4.966 10.216 1.573) 11.467 9.110 ( -3.133 9.104 2.677) 9.993 9.184 ( 4.912 3.281 -0.815) 5.963 9.290 ( -4.899 -1.088 -3.024) 5.859 9.514 ( 4.720 -2.607 -5.414) 7.641 9.568 ( -0.318 -4.635 -8.478) 9.668 9.703 ( 4.660 -7.129 -10.386) 13.431 9.786 ( -1.934 -7.675 -9.505) 12.369 9.948 ( 11.448 3.261 0.202) 11.905 10.016 ( 5.037 0.210 -0.863) 5.115 10.083 ( 3.700 3.978 1.484) 5.632 10.169 ( 6.312 -1.423 -2.595) 6.971 10.279 ( -10.612 4.537 2.410) 11.790 10.407 ( -16.048 6.334 1.885) 17.355 10.455 ( -0.539 -1.844 3.839) 4.292 10.665 ( -16.602 -2.879 -4.551) 17.454 11.120 ( 3.500 6.995 9.570) 12.360 11.177 ( -2.076 5.191 13.924) 15.004 11.494 ( 4.264 -2.556 4.938) 7.007 11.547 ( -0.378 -3.023 5.438) 6.233 11.911 ( 7.199 7.429 -7.253) 12.634 11.938 ( 0.755 4.642 -14.002) 14.771 12.001 ( -3.352 12.083 -1.069) 12.585 12.160 ( -11.182 8.100 -6.253) 15.157 12.675 ( 5.750 4.037 8.585) 11.093 12.750 ( 3.646 5.157 4.876) 7.980 12.777 ( -3.612 3.968 7.830) 9.492 12.833 ( -3.925 4.576 5.310) 8.034 13.342 ( 1.199 4.828 7.642) 9.119 13.357 ( -0.277 1.925 7.320) 7.574 13.605 ( 4.663 -8.410 2.435) 9.920 13.662 ( -1.350 -8.644 1.750) 8.922 14.907 ( 3.253 -2.438 8.955) 9.835 14.960 ( 4.476 -2.680 4.685) 7.012 14.975 ( 1.695 -2.809 6.395) 7.188 15.133 ( -7.476 -8.055 2.032) 11.176 15.685 ( 5.032 7.290 -29.755) 31.045 15.781 ( -4.351 4.928 -27.229) 28.011 15.864 ( 1.141 -0.907 -26.943) 26.982 15.889 ( -1.251 -0.306 -26.276) 26.307 17.202 ( 2.588 3.110 19.218) 19.639 17.220 ( 1.492 2.701 19.002) 19.251 17.264 ( 0.897 2.081 18.497) 18.635 17.365 ( -7.224 -2.745 17.321) 18.966 18.700 ( 1.439 11.224 1.120) 11.371 18.735 ( -2.075 10.284 2.628) 10.816 19.128 ( 3.409 -11.265 -9.871) 15.360 19.191 ( -2.910 -13.226 -7.994) 15.725 22.046 ( 5.789 -1.467 0.825) 6.029 22.108 ( 3.886 -3.322 -1.777) 5.412 22.202 ( -4.018 -4.560 1.926) 6.375 22.267 ( -6.335 -6.374 -0.810) 9.023 23.919 ( 2.039 -0.197 0.651) 2.149 23.952 ( -0.958 0.090 -0.578) 1.123 24.033 ( 1.697 -5.557 0.806) 5.866 24.062 ( -0.863 -5.012 -0.267) 5.092 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 0.000 -1.445 -0.057) 1.446 2.754 ( 0.000 1.445 -0.057) 1.446 3.118 ( 0.000 -1.466 2.979) 3.320 3.118 ( 0.000 1.466 2.979) 3.320 3.155 ( 0.000 -3.567 -1.322) 3.804 3.155 ( 0.000 3.567 -1.322) 3.804 3.231 ( 0.000 -1.623 -4.227) 4.527 3.231 ( 0.000 1.623 -4.227) 4.527 3.500 ( 0.000 -3.807 2.644) 4.635 3.500 ( 0.000 3.807 2.644) 4.635 3.548 ( 0.000 -2.137 0.402) 2.174 3.548 ( 0.000 2.137 0.402) 2.174 3.649 ( 0.000 -1.913 2.389) 3.061 3.649 ( 0.000 1.914 2.389) 3.061 3.918 ( 0.000 -3.095 2.557) 4.015 3.918 ( 0.000 3.096 2.557) 4.015 4.456 ( 0.000 -2.436 1.751) 3.000 4.456 ( 0.000 2.436 1.751) 3.000 4.879 ( 0.000 -5.810 -3.949) 7.025 4.879 ( 0.000 5.810 -3.949) 7.025 4.913 ( 0.000 -1.972 2.811) 3.434 4.913 ( 0.000 1.972 2.811) 3.434 5.269 ( 0.000 -1.306 -3.463) 3.702 5.269 ( 0.000 1.306 -3.463) 3.702 5.952 ( 0.000 -1.526 -0.075) 1.528 5.952 ( 0.000 1.526 -0.075) 1.528 6.000 ( 0.000 -4.874 -3.287) 5.878 6.000 ( 0.000 4.874 -3.287) 5.878 7.179 ( 0.000 -4.259 0.918) 4.357 7.179 ( 0.000 4.259 0.918) 4.357 7.311 ( 0.000 -1.026 -0.496) 1.140 7.311 ( 0.000 1.026 -0.496) 1.140 7.569 ( 0.000 -11.776 2.665) 12.074 7.569 ( 0.000 11.776 2.665) 12.074 7.888 ( 0.000 -4.258 1.395) 4.481 7.888 ( 0.000 4.258 1.395) 4.481 8.233 ( 0.000 -16.838 2.221) 16.984 8.233 ( 0.000 16.838 2.221) 16.984 8.432 ( 0.000 -9.837 3.123) 10.321 8.432 ( 0.000 9.837 3.123) 10.321 9.056 ( 0.000 -4.146 2.939) 5.082 9.056 ( 0.000 4.146 2.939) 5.082 9.363 ( 0.000 -5.849 -5.614) 8.107 9.363 ( 0.000 5.849 -5.614) 8.107 9.437 ( 0.000 -6.398 -9.121) 11.141 9.437 ( 0.000 6.398 -9.122) 11.142 9.583 ( 0.000 -11.416 -1.432) 11.505 9.583 ( 0.000 11.416 -1.432) 11.505 9.837 ( 0.000 -3.774 -1.598) 4.098 9.837 ( 0.000 3.774 -1.598) 4.098 9.975 ( 0.000 -2.845 -12.763) 13.076 9.975 ( 0.000 2.845 -12.763) 13.076 10.705 ( 0.000 -0.451 10.340) 10.350 10.705 ( 0.000 0.451 10.340) 10.350 11.061 ( 0.000 -0.251 0.457) 0.521 11.061 ( 0.000 0.251 0.457) 0.521 11.182 ( 0.000 -12.849 -0.390) 12.855 11.182 ( 0.000 12.849 -0.390) 12.855 11.298 ( 0.000 -8.948 14.674) 17.187 11.298 ( 0.000 8.948 14.674) 17.187 11.883 ( 0.000 -5.895 -11.466) 12.892 11.883 ( 0.000 5.895 -11.466) 12.893 12.516 ( 0.000 -4.241 -6.785) 8.002 12.516 ( 0.000 4.242 -6.785) 8.002 12.561 ( 0.000 -8.814 9.647) 13.067 12.561 ( 0.000 8.814 9.647) 13.067 12.925 ( 0.000 -3.096 6.270) 6.993 12.925 ( 0.000 3.096 6.270) 6.993 13.328 ( 0.000 -2.135 5.054) 5.487 13.328 ( 0.000 2.135 5.054) 5.487 13.491 ( 0.000 -9.243 6.897) 11.533 13.491 ( 0.000 9.243 6.897) 11.533 14.741 ( 0.000 -2.803 7.669) 8.165 14.741 ( 0.000 2.804 7.669) 8.165 15.118 ( 0.000 -6.746 5.166) 8.497 15.118 ( 0.000 6.746 5.166) 8.497 15.746 ( 0.000 -6.926 -31.767) 32.513 15.746 ( 0.000 6.926 -31.767) 32.513 15.923 ( 0.000 -0.491 -26.528) 26.532 15.923 ( 0.000 0.492 -26.528) 26.532 17.178 ( 0.000 -2.269 22.604) 22.717 17.178 ( 0.000 2.269 22.604) 22.717 17.419 ( 0.000 -6.904 15.573) 17.035 17.419 ( 0.000 6.904 15.573) 17.035 18.872 ( 0.000 -8.998 -5.734) 10.669 18.872 ( 0.000 8.998 -5.734) 10.669 18.988 ( 0.000 -11.769 -2.145) 11.963 18.988 ( 0.000 11.769 -2.145) 11.963 21.922 ( 0.000 -1.502 0.148) 1.509 21.922 ( 0.000 1.502 0.148) 1.509 22.321 ( 0.000 -2.194 -0.158) 2.200 22.321 ( 0.000 2.195 -0.158) 2.200 23.856 ( 0.000 -0.867 0.157) 0.881 23.856 ( 0.000 0.867 0.157) 0.881 24.035 ( 0.000 -0.567 0.162) 0.590 24.035 ( 0.000 0.567 0.162) 0.590 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.798 ( 4.216 -3.811 -0.739) 5.731 2.798 ( 4.216 3.812 -0.739) 5.731 3.088 ( -3.420 -2.754 1.064) 4.518 3.088 ( -3.420 2.754 1.064) 4.518 3.163 ( 2.052 -4.054 -1.094) 4.673 3.163 ( 2.052 4.054 -1.094) 4.673 3.261 ( 2.130 -4.674 -2.375) 5.659 3.261 ( 2.130 4.674 -2.375) 5.659 3.467 ( -2.689 -3.537 2.342) 5.023 3.467 ( -2.689 3.537 2.342) 5.023 3.513 ( -3.391 -3.264 0.905) 4.793 3.513 ( -3.391 3.264 0.905) 4.793 3.701 ( 4.460 -1.630 1.611) 5.014 3.701 ( 4.460 1.630 1.611) 5.014 3.915 ( -0.541 -2.586 2.122) 3.389 3.915 ( -0.541 2.587 2.122) 3.389 4.432 ( -1.491 -2.202 2.343) 3.545 4.432 ( -1.491 2.202 2.343) 3.545 4.713 ( -8.868 -4.040 3.736) 10.436 4.713 ( -8.868 4.040 3.736) 10.436 5.091 ( 9.729 -3.112 -4.105) 11.009 5.091 ( 9.729 3.112 -4.105) 11.009 5.299 ( 2.499 -0.800 -4.179) 4.935 5.299 ( 2.500 0.801 -4.179) 4.935 5.920 ( -2.808 -1.379 -0.039) 3.129 5.920 ( -2.808 1.379 -0.039) 3.129 5.967 ( -2.986 -4.449 -2.760) 6.027 5.967 ( -2.986 4.449 -2.760) 6.027 7.187 ( 1.078 -1.813 -1.502) 2.590 7.187 ( 1.078 1.814 -1.502) 2.590 7.376 ( 2.021 -1.111 5.101) 5.598 7.376 ( 2.021 1.111 5.101) 5.598 7.532 ( 1.792 -8.814 -0.620) 9.015 7.532 ( 1.792 8.814 -0.620) 9.015 7.944 ( 3.503 -5.165 1.568) 6.435 7.944 ( 3.503 5.165 1.568) 6.435 8.221 ( -0.923 -17.727 3.435) 18.080 8.221 ( -0.923 17.727 3.435) 18.081 8.414 ( -2.342 -12.722 3.216) 13.329 8.414 ( -2.342 12.722 3.216) 13.329 9.107 ( 4.528 -4.514 1.812) 6.646 9.107 ( 4.528 4.515 1.812) 6.646 9.332 ( -2.845 -4.180 -3.536) 6.170 9.332 ( -2.845 4.180 -3.536) 6.170 9.458 ( 2.583 -5.790 -11.363) 13.012 9.458 ( 2.583 5.790 -11.363) 13.012 9.614 ( 1.949 -8.160 -6.268) 10.473 9.614 ( 1.949 8.161 -6.269) 10.473 9.873 ( 4.324 -2.160 -0.775) 4.896 9.873 ( 4.324 2.160 -0.775) 4.896 10.003 ( 3.543 -3.644 -8.055) 9.524 10.003 ( 3.543 3.644 -8.055) 9.524 10.583 ( -10.804 -1.962 9.790) 14.712 10.583 ( -10.804 1.963 9.790) 14.712 10.899 ( -13.831 -6.622 -1.076) 15.372 10.899 ( -13.831 6.622 -1.076) 15.372 11.234 ( 3.310 -10.689 1.746) 11.326 11.234 ( 3.310 10.689 1.746) 11.326 11.344 ( 2.816 -11.509 12.611) 17.304 11.344 ( 2.816 11.509 12.611) 17.304 11.907 ( 2.964 -3.773 -10.164) 11.239 11.907 ( 2.964 3.774 -10.164) 11.239 12.364 ( -9.431 -7.364 -0.397) 11.972 12.364 ( -9.431 7.364 -0.397) 11.972 12.674 ( 5.830 -5.124 4.110) 8.783 12.674 ( 5.830 5.124 4.110) 8.783 12.907 ( -1.840 -2.880 6.395) 7.251 12.907 ( -1.840 2.880 6.395) 7.251 13.368 ( 3.573 -4.027 4.854) 7.249 13.368 ( 3.573 4.027 4.854) 7.249 13.491 ( -0.056 -9.125 6.463) 11.182 13.491 ( -0.056 9.125 6.463) 11.182 14.786 ( 4.358 -1.497 7.169) 8.522 14.786 ( 4.358 1.498 7.169) 8.522 15.089 ( -2.881 -6.124 5.179) 8.522 15.089 ( -2.881 6.125 5.179) 8.523 15.764 ( 1.767 -6.216 -31.196) 31.859 15.764 ( 1.767 6.217 -31.196) 31.859 15.907 ( -1.555 -1.131 -26.995) 27.064 15.907 ( -1.555 1.131 -26.995) 27.064 17.193 ( 1.556 -1.814 22.050) 22.180 17.193 ( 1.556 1.814 22.050) 22.179 17.386 ( -3.075 -5.548 16.360) 17.547 17.386 ( -3.075 5.548 16.360) 17.547 18.884 ( 1.196 -9.430 -5.428) 10.946 18.884 ( 1.196 9.430 -5.428) 10.946 18.978 ( -1.030 -11.635 -2.560) 11.958 18.978 ( -1.030 11.635 -2.560) 11.958 21.957 ( 3.530 -1.709 0.128) 3.924 21.957 ( 3.530 1.709 0.128) 3.924 22.279 ( -4.133 -2.213 -0.120) 4.689 22.279 ( -4.133 2.213 -0.120) 4.689 23.881 ( 2.410 -1.421 0.156) 2.802 23.881 ( 2.410 1.422 0.156) 2.802 24.025 ( -1.078 -1.182 0.161) 1.608 24.025 ( -1.078 1.182 0.161) 1.608 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.900 ( 5.667 -4.704 -1.892) 7.605 2.900 ( 5.667 4.705 -1.892) 7.605 3.005 ( -4.882 -3.828 -1.492) 6.381 3.005 ( -4.882 3.828 -1.492) 6.381 3.228 ( 4.150 -6.717 0.555) 7.915 3.228 ( 4.150 6.717 0.555) 7.915 3.286 ( -0.558 -7.785 -0.582) 7.826 3.286 ( -0.559 7.785 -0.582) 7.826 3.418 ( -1.500 -2.756 1.702) 3.570 3.418 ( -1.500 2.757 1.702) 3.570 3.438 ( -3.235 -4.568 1.318) 5.750 3.438 ( -3.235 4.568 1.318) 5.750 3.797 ( 4.997 -1.186 0.218) 5.140 3.797 ( 4.997 1.186 0.218) 5.140 3.881 ( -3.192 -1.641 0.534) 3.629 3.881 ( -3.192 1.641 0.534) 3.629 4.442 ( 3.136 -0.780 5.031) 5.979 4.442 ( 3.136 0.780 5.031) 5.980 4.551 ( -7.481 -1.851 6.336) 9.977 4.551 ( -7.481 1.851 6.336) 9.977 5.258 ( 6.716 -1.751 -6.252) 9.341 5.258 ( 6.716 1.751 -6.252) 9.341 5.329 ( -0.446 -0.647 -5.842) 5.895 5.329 ( -0.446 0.647 -5.842) 5.895 5.876 ( -0.816 -2.654 -0.103) 2.778 5.876 ( -0.816 2.654 -0.103) 2.778 5.902 ( -3.073 -3.840 -1.139) 5.048 5.902 ( -3.073 3.840 -1.139) 5.048 7.227 ( 3.105 -2.235 -0.818) 3.912 7.227 ( 3.105 2.235 -0.818) 3.912 7.309 ( -5.091 -3.734 2.019) 6.628 7.309 ( -5.091 3.734 2.019) 6.629 7.721 ( 12.946 -4.294 2.729) 13.910 7.721 ( 12.946 4.294 2.729) 13.910 7.930 ( -6.509 -4.189 1.992) 7.993 7.930 ( -6.509 4.190 1.992) 7.993 8.237 ( 3.504 -17.893 3.912) 18.648 8.237 ( 3.504 17.893 3.912) 18.648 8.334 ( -5.353 -15.532 2.678) 16.645 8.334 ( -5.353 15.532 2.678) 16.645 9.195 ( 4.011 -4.279 -0.275) 5.872 9.195 ( 4.011 4.280 -0.275) 5.872 9.267 ( -3.535 -3.826 -1.870) 5.535 9.267 ( -3.535 3.826 -1.870) 5.535 9.535 ( 4.692 -6.173 -13.304) 15.399 9.535 ( 4.692 6.173 -13.304) 15.399 9.611 ( -2.487 -7.482 -11.801) 14.192 9.611 ( -2.487 7.482 -11.801) 14.192 10.024 ( 10.039 -1.970 0.822) 10.264 10.024 ( 10.039 1.970 0.822) 10.264 10.123 ( 5.751 -1.692 0.571) 6.022 10.123 ( 5.751 1.693 0.571) 6.022 10.378 ( -5.391 -3.942 5.524) 8.667 10.378 ( -5.391 3.942 5.524) 8.667 10.572 ( -17.921 -6.708 -1.552) 19.198 10.572 ( -17.921 6.708 -1.552) 19.198 11.302 ( 3.514 -11.443 4.281) 12.713 11.302 ( 3.514 11.443 4.281) 12.713 11.357 ( -1.564 -12.410 8.238) 14.977 11.357 ( -1.564 12.410 8.238) 14.977 12.010 ( 7.409 -1.876 -5.796) 9.592 12.010 ( 7.409 1.876 -5.796) 9.592 12.178 ( -9.370 -5.782 -1.795) 11.156 12.178 ( -9.370 5.783 -1.795) 11.156 12.776 ( 4.655 -3.645 5.535) 8.098 12.776 ( 4.655 3.645 5.535) 8.099 12.855 ( -3.423 -2.878 6.387) 7.797 12.855 ( -3.423 2.878 6.387) 7.797 13.439 ( 3.128 -6.625 4.881) 8.803 13.439 ( 3.128 6.625 4.880) 8.803 13.481 ( -1.191 -8.365 5.543) 10.105 13.481 ( -1.191 8.365 5.543) 10.105 14.894 ( 6.145 -1.574 6.178) 8.855 14.894 ( 6.146 1.575 6.178) 8.855 15.009 ( -5.240 -4.317 5.441) 8.701 15.009 ( -5.240 4.318 5.441) 8.701 15.810 ( 2.790 -4.463 -29.820) 30.281 15.810 ( 2.790 4.463 -29.820) 30.281 15.865 ( -2.667 -2.529 -28.235) 28.474 15.865 ( -2.667 2.529 -28.235) 28.474 17.240 ( 3.160 -0.594 20.484) 20.734 17.240 ( 3.160 0.594 20.484) 20.734 17.313 ( -4.085 -2.604 18.309) 18.939 17.313 ( -4.085 2.605 18.309) 18.939 18.915 ( 1.812 -10.338 -4.619) 11.467 18.915 ( 1.812 10.338 -4.619) 11.467 18.950 ( -1.720 -11.161 -3.544) 11.836 18.950 ( -1.720 11.161 -3.544) 11.836 22.052 ( 5.871 -2.036 0.066) 6.214 22.052 ( 5.871 2.036 0.066) 6.214 22.174 ( -6.223 -2.201 -0.029) 6.600 22.174 ( -6.223 2.201 -0.029) 6.600 23.938 ( 3.099 -1.940 0.157) 3.660 23.938 ( 3.099 1.941 0.157) 3.660 23.992 ( -2.299 -1.835 0.159) 2.946 23.992 ( -2.299 1.835 0.159) 2.946 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 0.000 -27.413) 27.413 1.249 ( 0.000 0.000 27.413) 27.413 1.533 ( 0.000 0.000 -28.975) 28.975 1.533 ( 0.000 0.000 28.975) 28.975 2.322 ( 0.000 0.000 -30.126) 30.126 2.322 ( 0.000 0.000 30.126) 30.126 2.572 ( 0.000 0.000 -10.705) 10.705 2.572 ( 0.000 0.000 10.705) 10.705 2.681 ( 0.000 0.000 -8.415) 8.415 2.681 ( 0.000 0.000 8.415) 8.415 2.929 ( 0.000 0.000 -8.672) 8.672 2.929 ( 0.000 0.000 8.672) 8.672 3.028 ( 0.000 0.000 -5.853) 5.853 3.028 ( 0.000 0.000 5.853) 5.853 3.244 ( 0.000 0.000 -2.160) 2.160 3.244 ( 0.000 0.000 2.160) 2.160 3.498 ( 0.000 0.000 -8.526) 8.526 3.498 ( 0.000 0.000 8.526) 8.526 3.895 ( 0.000 0.000 -11.268) 11.268 3.895 ( 0.000 0.000 11.268) 11.268 4.501 ( 0.000 0.000 -11.114) 11.114 4.501 ( 0.000 0.000 11.114) 11.114 4.893 ( 0.000 0.000 -0.343) 0.343 4.893 ( 0.000 0.000 0.343) 0.343 4.925 ( 0.000 0.000 -9.640) 9.640 4.925 ( 0.000 0.000 9.640) 9.640 5.210 ( 0.000 0.000 -1.568) 1.568 5.210 ( 0.000 0.000 1.568) 1.568 5.742 ( 0.000 0.000 -4.851) 4.851 5.742 ( 0.000 0.000 4.851) 4.851 6.531 ( 0.000 0.000 -2.404) 2.404 6.531 ( 0.000 0.000 2.404) 2.404 6.988 ( 0.000 0.000 -4.302) 4.302 6.988 ( 0.000 0.000 4.302) 4.302 7.251 ( 0.000 0.000 -0.115) 0.115 7.251 ( 0.000 0.000 0.115) 0.115 7.547 ( 0.000 0.000 -4.715) 4.715 7.547 ( 0.000 0.000 4.715) 4.715 8.085 ( 0.000 0.000 -10.633) 10.633 8.085 ( 0.000 0.000 10.633) 10.633 8.085 ( 0.000 0.000 -2.021) 2.021 8.085 ( 0.000 0.000 2.021) 2.021 8.388 ( 0.000 0.000 -6.379) 6.379 8.388 ( 0.000 0.000 6.379) 6.379 8.906 ( 0.000 0.000 -4.713) 4.713 8.906 ( 0.000 0.000 4.713) 4.713 9.111 ( 0.000 0.000 -3.510) 3.510 9.111 ( 0.000 0.000 3.510) 3.510 9.671 ( 0.000 0.000 -12.545) 12.545 9.671 ( 0.000 0.000 12.545) 12.545 9.729 ( 0.000 0.000 -5.859) 5.859 9.729 ( 0.000 0.000 5.859) 5.859 10.284 ( 0.000 0.000 -4.352) 4.352 10.284 ( 0.000 0.000 4.352) 4.352 10.621 ( 0.000 0.000 -17.687) 17.687 10.621 ( 0.000 0.000 17.687) 17.687 11.163 ( 0.000 0.000 -9.801) 9.801 11.163 ( 0.000 0.000 9.801) 9.801 11.277 ( 0.000 0.000 -17.717) 17.717 11.277 ( 0.000 0.000 17.717) 17.717 11.565 ( 0.000 0.000 -5.236) 5.236 11.565 ( 0.000 0.000 5.236) 5.236 12.077 ( 0.000 0.000 -4.274) 4.274 12.077 ( 0.000 0.000 4.274) 4.274 12.699 ( 0.000 0.000 -22.626) 22.626 12.699 ( 0.000 0.000 22.626) 22.626 13.471 ( 0.000 0.000 -4.213) 4.213 13.471 ( 0.000 0.000 4.213) 4.213 13.618 ( 0.000 0.000 -18.170) 18.170 13.618 ( 0.000 0.000 18.170) 18.170 13.691 ( 0.000 0.000 -16.727) 16.727 13.691 ( 0.000 0.000 16.727) 16.727 14.381 ( 0.000 0.000 -3.710) 3.710 14.381 ( 0.000 0.000 3.710) 3.710 15.051 ( 0.000 0.000 -7.110) 7.110 15.051 ( 0.000 0.000 7.110) 7.110 15.359 ( 0.000 0.000 -3.296) 3.296 15.359 ( 0.000 0.000 3.296) 3.296 16.044 ( 0.000 0.000 -15.156) 15.156 16.044 ( 0.000 0.000 15.156) 15.156 18.111 ( 0.000 0.000 -26.972) 26.972 18.111 ( 0.000 0.000 26.972) 26.972 18.709 ( 0.000 0.000 -2.579) 2.579 18.709 ( 0.000 0.000 2.579) 2.579 18.715 ( 0.000 0.000 -2.553) 2.553 18.715 ( 0.000 0.000 2.553) 2.553 20.048 ( 0.000 0.000 -5.844) 5.844 20.048 ( 0.000 0.000 5.844) 5.844 20.986 ( 0.000 0.000 -6.144) 6.144 20.986 ( 0.000 0.000 6.144) 6.144 21.630 ( 0.000 0.000 -4.205) 4.205 21.630 ( 0.000 0.000 4.205) 4.205 24.106 ( 0.000 0.000 -11.348) 11.348 24.106 ( 0.000 0.000 11.348) 11.348 25.504 ( 0.000 0.000 -13.149) 13.149 25.504 ( 0.000 0.000 13.149) 13.149 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.343 ( 8.178 0.000 -23.315) 24.708 1.343 ( 8.178 0.000 23.315) 24.708 1.616 ( 8.010 0.000 -25.821) 27.034 1.616 ( 8.010 0.000 25.821) 27.034 2.351 ( -4.738 0.000 -9.596) 10.702 2.351 ( -4.738 0.000 9.596) 10.702 2.552 ( -11.254 0.000 -10.069) 15.101 2.552 ( -11.254 0.000 10.069) 15.101 2.580 ( 9.659 0.000 -30.617) 32.105 2.580 ( 9.659 0.000 30.617) 32.105 2.885 ( -2.886 0.000 -5.099) 5.859 2.885 ( -2.886 0.000 5.099) 5.859 3.046 ( 1.068 0.000 -4.664) 4.784 3.046 ( 1.068 0.000 4.664) 4.784 3.279 ( 2.832 0.000 -1.648) 3.276 3.279 ( 2.832 0.000 1.648) 3.276 3.564 ( 3.561 0.000 -7.940) 8.703 3.564 ( 3.561 0.000 7.940) 8.703 3.877 ( -3.680 0.000 -12.320) 12.858 3.877 ( -3.680 0.000 12.320) 12.858 4.437 ( -3.537 0.000 -9.567) 10.200 4.437 ( -3.537 0.000 9.567) 10.200 4.918 ( -1.067 0.000 -8.106) 8.176 4.918 ( -1.067 0.000 8.106) 8.176 4.927 ( 3.293 0.000 -0.527) 3.335 4.927 ( 3.293 0.000 0.527) 3.335 5.183 ( -2.669 0.000 -1.469) 3.047 5.183 ( -2.669 0.000 1.469) 3.047 5.805 ( 5.556 0.000 -5.279) 7.664 5.805 ( 5.556 0.000 5.279) 7.664 6.433 ( -6.678 0.000 -2.220) 7.038 6.433 ( -6.678 0.000 2.220) 7.038 7.111 ( 6.091 0.000 -6.051) 8.586 7.111 ( 6.091 0.000 6.051) 8.586 7.352 ( 9.204 0.000 -4.206) 10.119 7.352 ( 9.204 0.000 4.206) 10.119 7.636 ( 8.699 0.000 -6.995) 11.163 7.636 ( 8.699 0.000 6.995) 11.163 8.041 ( -0.877 0.000 -5.943) 6.008 8.041 ( -0.877 0.000 5.943) 6.008 8.087 ( 0.182 0.000 -1.629) 1.639 8.087 ( 0.182 0.000 1.629) 1.639 8.370 ( -2.094 0.000 -1.861) 2.801 8.370 ( -2.094 0.000 1.861) 2.801 8.960 ( 5.290 0.000 -4.264) 6.795 8.960 ( 5.290 0.000 4.264) 6.795 9.108 ( -0.240 0.000 -3.043) 3.053 9.108 ( -0.240 0.000 3.043) 3.053 9.590 ( -7.920 0.000 -11.890) 14.286 9.590 ( -7.920 0.000 11.890) 14.286 9.633 ( -8.702 0.000 -3.657) 9.439 9.633 ( -8.702 0.000 3.657) 9.439 10.136 ( -12.811 0.000 -6.470) 14.353 10.136 ( -12.811 0.000 6.470) 14.353 10.694 ( 6.499 0.000 -15.045) 16.389 10.694 ( 6.499 0.000 15.045) 16.389 11.134 ( -2.862 0.000 -9.615) 10.032 11.134 ( -2.862 0.000 9.615) 10.032 11.167 ( -6.783 0.000 -12.393) 14.128 11.167 ( -6.783 0.000 12.393) 14.128 11.721 ( 9.988 0.000 -11.524) 15.250 11.721 ( 9.988 0.000 11.524) 15.250 12.152 ( 6.918 0.000 -7.811) 10.435 12.152 ( 6.918 0.000 7.811) 10.435 12.739 ( 3.364 0.000 -17.160) 17.487 12.739 ( 3.364 0.000 17.160) 17.487 13.464 ( -0.403 0.000 -3.866) 3.887 13.464 ( -0.403 0.000 3.866) 3.887 13.625 ( 0.688 0.000 -17.944) 17.957 13.625 ( 0.688 0.000 17.944) 17.957 13.685 ( -0.660 0.000 -16.777) 16.790 13.685 ( -0.660 0.000 16.777) 16.790 14.415 ( 3.185 0.000 -4.543) 5.549 14.415 ( 3.185 0.000 4.543) 5.549 15.033 ( -2.918 0.000 -7.139) 7.712 15.033 ( -2.918 0.000 7.139) 7.712 15.359 ( 0.850 0.000 -3.183) 3.295 15.359 ( 0.850 0.000 3.183) 3.295 15.985 ( -5.307 0.000 -12.971) 14.014 15.985 ( -5.307 0.000 12.971) 14.014 18.143 ( 3.033 0.000 -24.204) 24.393 18.143 ( 3.033 0.000 24.204) 24.393 18.708 ( -0.084 0.000 -1.553) 1.555 18.708 ( -0.084 0.000 1.553) 1.555 18.717 ( 0.086 0.000 -1.532) 1.534 18.717 ( 0.086 0.000 1.532) 1.534 19.971 ( -8.758 0.000 -9.457) 12.890 19.971 ( -8.758 0.000 9.457) 12.890 20.928 ( -7.804 0.000 -8.162) 11.292 20.928 ( -7.804 0.000 8.162) 11.292 21.202 ( -26.121 0.000 -12.515) 28.964 21.202 ( -26.121 0.000 12.515) 28.964 24.325 ( 13.805 0.000 -14.419) 19.962 24.325 ( 13.805 0.000 14.419) 19.962 25.636 ( 11.165 0.000 -8.865) 14.256 25.636 ( 11.165 0.000 8.865) 14.256 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.502 ( 6.141 0.000 -11.541) 13.073 1.502 ( 6.141 0.000 11.541) 13.073 1.800 ( 8.467 0.000 -14.473) 16.768 1.800 ( 8.467 0.000 14.473) 16.768 2.172 ( -7.930 0.000 -5.485) 9.643 2.172 ( -7.930 0.000 5.485) 9.643 2.322 ( -9.738 0.000 -8.773) 13.107 2.322 ( -9.738 0.000 8.773) 13.107 2.812 ( 0.261 0.000 -1.308) 1.334 2.812 ( 0.261 0.000 1.308) 1.334 2.999 ( 23.845 0.000 -27.893) 36.696 2.999 ( 23.845 0.000 27.893) 36.696 3.059 ( 0.268 0.000 -1.701) 1.722 3.059 ( 0.268 0.000 1.701) 1.722 3.325 ( 1.373 0.000 -0.597) 1.497 3.325 ( 1.373 0.000 0.597) 1.497 3.469 ( -17.718 0.000 -6.988) 19.046 3.469 ( -17.718 0.000 6.988) 19.046 3.757 ( -3.041 0.000 -7.956) 8.517 3.757 ( -3.041 0.000 7.956) 8.517 4.461 ( 3.813 0.000 -4.166) 5.647 4.461 ( 3.813 0.000 4.166) 5.647 4.879 ( -2.167 0.000 -4.813) 5.278 4.879 ( -2.167 0.000 4.813) 5.278 5.010 ( 4.716 0.000 -0.816) 4.786 5.010 ( 4.716 0.000 0.816) 4.786 5.112 ( -4.336 0.000 -1.161) 4.489 5.112 ( -4.336 0.000 1.161) 4.489 5.910 ( 3.826 0.000 -2.959) 4.837 5.910 ( 3.826 0.000 2.959) 4.837 6.329 ( -3.369 0.000 -2.233) 4.042 6.329 ( -3.369 0.000 2.233) 4.042 7.174 ( 1.339 0.000 -2.487) 2.825 7.174 ( 1.339 0.000 2.487) 2.825 7.423 ( -1.307 0.000 -2.574) 2.887 7.423 ( -1.307 0.000 2.574) 2.887 7.874 ( 13.710 0.000 -7.116) 15.446 7.874 ( 13.710 0.000 7.116) 15.446 8.076 ( -3.295 0.000 -1.712) 3.713 8.076 ( -3.295 0.000 1.712) 3.713 8.091 ( 0.119 0.000 -0.619) 0.630 8.091 ( 0.119 0.000 0.619) 0.630 8.380 ( 6.404 0.000 -2.937) 7.045 8.380 ( 6.404 0.000 2.937) 7.045 9.080 ( 4.254 0.000 -3.549) 5.540 9.080 ( 4.254 0.000 3.549) 5.540 9.111 ( 1.846 0.000 -3.575) 4.023 9.111 ( 1.846 0.000 3.575) 4.023 9.377 ( -11.340 0.000 -5.049) 12.413 9.377 ( -11.340 0.000 5.049) 12.413 9.449 ( -7.946 0.000 -1.201) 8.037 9.449 ( -7.946 0.000 1.201) 8.037 9.922 ( -6.169 0.000 -3.721) 7.205 9.922 ( -6.169 0.000 3.721) 7.205 10.824 ( 5.283 0.000 -8.467) 9.980 10.824 ( 5.283 0.000 8.467) 9.980 11.064 ( -3.453 0.000 -6.762) 7.593 11.064 ( -3.453 0.000 6.762) 7.593 11.073 ( -2.574 0.000 -4.558) 5.234 11.073 ( -2.574 0.000 4.558) 5.234 11.855 ( 3.388 0.000 -5.366) 6.346 11.855 ( 3.388 0.000 5.366) 6.346 12.284 ( 4.593 0.000 -5.686) 7.309 12.284 ( 4.593 0.000 5.686) 7.309 12.795 ( 1.720 0.000 -6.052) 6.291 12.795 ( 1.720 0.000 6.052) 6.291 13.463 ( 0.165 0.000 -1.729) 1.737 13.463 ( 0.165 0.000 1.729) 1.737 13.643 ( 1.023 0.000 -16.371) 16.403 13.643 ( 1.023 0.000 16.371) 16.403 13.667 ( -1.006 0.000 -15.926) 15.958 13.667 ( -1.006 0.000 15.926) 15.958 14.487 ( 3.214 0.000 -3.781) 4.963 14.487 ( 3.214 0.000 3.781) 4.963 14.935 ( -5.052 0.000 -5.681) 7.602 14.935 ( -5.052 0.000 5.681) 7.602 15.399 ( 2.158 0.000 -1.397) 2.571 15.399 ( 2.158 0.000 1.397) 2.571 15.886 ( -3.489 0.000 -5.153) 6.223 15.886 ( -3.489 0.000 5.153) 6.223 18.206 ( 2.439 0.000 -11.385) 11.643 18.206 ( 2.439 0.000 11.385) 11.643 18.707 ( -0.040 0.000 -0.452) 0.454 18.707 ( -0.040 0.000 0.452) 0.454 18.718 ( 0.041 0.000 -0.444) 0.446 18.718 ( 0.041 0.000 0.444) 0.446 19.745 ( -9.743 0.000 -9.031) 13.285 19.745 ( -9.743 0.000 9.031) 13.285 20.714 ( -6.551 0.000 -5.252) 8.397 20.714 ( -6.551 0.000 5.252) 8.397 20.985 ( -2.825 0.000 -3.352) 4.383 20.985 ( -2.825 0.000 3.352) 4.383 24.497 ( 3.961 0.000 -5.876) 7.086 24.497 ( 3.961 0.000 5.876) 7.086 25.820 ( 5.575 0.000 -2.877) 6.274 25.820 ( 5.575 0.000 2.877) 6.274 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.367 ( 0.000 10.297 -18.600) 21.260 1.367 ( 0.000 10.297 18.600) 21.260 1.502 ( 0.000 2.753 -22.948) 23.113 1.502 ( 0.000 2.753 22.948) 23.113 2.475 ( 0.000 4.922 -3.654) 6.130 2.475 ( 0.000 4.922 3.654) 6.130 2.680 ( 0.000 18.758 -28.296) 33.949 2.680 ( 0.000 18.758 28.296) 33.949 2.814 ( 0.000 11.102 -6.550) 12.890 2.814 ( 0.000 11.102 6.550) 12.890 2.961 ( 0.000 3.720 -9.265) 9.984 2.961 ( 0.000 3.720 9.265) 9.984 3.053 ( 0.000 2.242 -3.228) 3.930 3.053 ( 0.000 2.242 3.228) 3.930 3.327 ( 0.000 7.525 -0.285) 7.530 3.327 ( 0.000 7.525 0.285) 7.530 3.525 ( 0.000 1.795 -5.466) 5.753 3.525 ( 0.000 1.795 5.466) 5.753 3.839 ( 0.000 -1.600 -11.152) 11.267 3.839 ( 0.000 -1.600 11.152) 11.267 4.492 ( 0.000 -0.201 -11.420) 11.422 4.492 ( 0.000 -0.201 11.420) 11.422 4.860 ( 0.000 -1.353 -10.465) 10.552 4.860 ( 0.000 -1.353 10.465) 10.552 5.261 ( 0.000 26.558 -2.023) 26.635 5.261 ( 0.000 26.558 2.023) 26.635 5.476 ( 0.000 25.102 -2.396) 25.216 5.476 ( 0.000 25.102 2.396) 25.216 5.784 ( 0.000 5.159 -3.820) 6.419 5.784 ( 0.000 5.159 3.820) 6.419 6.457 ( 0.000 -5.184 -0.559) 5.214 6.457 ( 0.000 -5.184 0.559) 5.214 6.983 ( 0.000 -0.157 -4.057) 4.060 6.983 ( 0.000 -0.157 4.057) 4.060 7.267 ( 0.000 1.923 -0.192) 1.933 7.267 ( 0.000 1.923 0.192) 1.933 7.508 ( 0.000 -3.063 -5.061) 5.915 7.508 ( 0.000 -3.063 5.061) 5.915 8.069 ( 0.000 1.697 -9.565) 9.714 8.069 ( 0.000 1.697 9.565) 9.714 8.302 ( 0.000 -3.209 -6.084) 6.878 8.302 ( 0.000 -3.209 6.084) 6.878 8.329 ( 0.000 14.858 -2.231) 15.025 8.329 ( 0.000 14.858 2.231) 15.025 9.048 ( 0.000 9.692 -4.273) 10.592 9.048 ( 0.000 9.692 4.273) 10.592 9.075 ( 0.000 -1.444 -4.613) 4.834 9.075 ( 0.000 -1.444 4.613) 4.834 9.620 ( 0.000 1.152 -5.739) 5.853 9.620 ( 0.000 1.152 5.739) 5.853 9.872 ( 0.000 4.987 -0.346) 4.999 9.872 ( 0.000 4.987 0.346) 4.999 10.112 ( 0.000 1.132 -7.575) 7.659 10.112 ( 0.000 1.132 7.575) 7.659 10.886 ( 0.000 -6.645 -0.606) 6.672 10.886 ( 0.000 -6.645 0.606) 6.672 11.080 ( 0.000 14.591 -5.310) 15.527 11.080 ( 0.000 14.591 5.310) 15.527 11.369 ( 0.000 5.038 -6.863) 8.514 11.369 ( 0.000 5.038 6.863) 8.514 11.724 ( 0.000 12.490 -7.095) 14.365 11.724 ( 0.000 12.490 7.095) 14.365 12.158 ( 0.000 7.604 -7.484) 10.669 12.158 ( 0.000 7.604 7.484) 10.669 12.676 ( 0.000 -2.629 -21.293) 21.455 12.676 ( 0.000 -2.629 21.293) 21.455 13.127 ( 0.000 -25.512 -9.885) 27.360 13.127 ( 0.000 -25.512 9.885) 27.360 13.287 ( 0.000 -26.887 -16.137) 31.358 13.287 ( 0.000 -26.887 16.137) 31.358 13.785 ( 0.000 3.337 -11.375) 11.854 13.785 ( 0.000 3.337 11.375) 11.854 14.437 ( 0.000 3.373 -4.215) 5.399 14.437 ( 0.000 3.373 4.215) 5.399 15.321 ( 0.000 20.366 -8.454) 22.051 15.321 ( 0.000 20.366 8.454) 22.051 15.437 ( 0.000 8.058 -3.431) 8.758 15.437 ( 0.000 8.058 3.431) 8.758 16.031 ( 0.000 -0.900 -13.996) 14.025 16.031 ( 0.000 -0.900 13.996) 14.025 17.871 ( 0.000 -19.329 -13.772) 23.734 17.871 ( 0.000 -19.329 13.772) 23.734 18.172 ( 0.000 -39.064 -5.844) 39.498 18.172 ( 0.000 -39.064 5.844) 39.498 18.810 ( 0.000 5.905 -17.422) 18.395 18.810 ( 0.000 5.905 17.422) 18.395 20.387 ( 0.000 16.561 -2.854) 16.805 20.387 ( 0.000 16.561 2.854) 16.805 21.181 ( 0.000 18.983 -3.665) 19.334 21.181 ( 0.000 18.983 3.665) 19.334 21.648 ( 0.000 4.184 -3.707) 5.590 21.648 ( 0.000 4.184 3.707) 5.590 24.061 ( 0.000 -3.802 -10.687) 11.344 24.061 ( 0.000 -3.802 10.687) 11.344 25.375 ( 0.000 -12.358 -11.303) 16.747 25.375 ( 0.000 -12.358 11.303) 16.747 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 6.668 8.906 -18.415) 21.515 1.438 ( 6.668 8.906 18.415) 21.515 1.622 ( 10.886 3.969 -23.520) 26.220 1.622 ( 10.886 3.969 23.520) 26.220 2.383 ( -8.676 3.005 -5.122) 10.513 2.383 ( -8.676 3.005 5.122) 10.513 2.638 ( -12.361 8.348 -5.082) 15.758 2.638 ( -12.361 8.348 5.082) 15.758 2.790 ( 7.333 15.655 -17.331) 24.479 2.790 ( 7.333 15.655 17.331) 24.479 2.930 ( 0.837 7.608 -11.229) 13.589 2.930 ( 0.837 7.608 11.229) 13.589 3.102 ( 1.641 5.015 -4.281) 6.795 3.102 ( 1.641 5.015 4.281) 6.795 3.355 ( 2.684 6.591 -1.821) 7.346 3.355 ( 2.684 6.591 1.821) 7.346 3.568 ( 2.308 0.861 -6.591) 7.036 3.568 ( 2.308 0.861 6.591) 7.036 3.851 ( -0.584 0.223 -10.922) 10.940 3.851 ( -0.584 0.223 10.922) 10.940 4.437 ( -3.845 0.703 -9.076) 9.882 4.437 ( -3.845 0.703 9.076) 9.882 4.853 ( -0.428 -1.770 -8.141) 8.343 4.853 ( -0.428 -1.770 8.141) 8.343 5.287 ( 2.339 27.304 -2.599) 27.527 5.287 ( 2.339 27.304 2.599) 27.527 5.465 ( -1.389 26.404 -1.978) 26.514 5.465 ( -1.389 26.404 1.978) 26.514 5.827 ( 3.993 2.858 -4.479) 6.646 5.827 ( 3.993 2.858 4.479) 6.646 6.394 ( -4.854 -2.920 -2.370) 6.141 6.394 ( -4.854 -2.920 2.370) 6.141 7.079 ( 6.117 -2.226 -4.644) 7.996 7.079 ( 6.117 -2.226 4.644) 7.996 7.335 ( 6.359 -0.178 -1.891) 6.637 7.335 ( 6.359 -0.178 1.891) 6.637 7.589 ( 7.979 -3.536 -5.253) 10.186 7.589 ( 7.979 -3.536 5.253) 10.186 7.992 ( -5.567 -0.124 -4.406) 7.100 7.992 ( -5.567 -0.124 4.406) 7.100 8.248 ( -2.994 1.134 -2.460) 4.037 8.248 ( -2.994 1.134 2.460) 4.037 8.433 ( 7.666 14.206 -4.250) 16.692 8.433 ( 7.666 14.206 4.250) 16.692 9.062 ( -0.329 -3.832 -3.521) 5.215 9.062 ( -0.329 -3.832 3.521) 5.215 9.108 ( 4.637 11.963 -2.409) 13.055 9.108 ( 4.637 11.963 2.409) 13.055 9.526 ( -8.797 -0.207 -7.579) 11.614 9.526 ( -8.797 -0.207 7.579) 11.614 9.793 ( -7.499 8.444 -4.264) 12.071 9.793 ( -7.499 8.444 4.264) 12.071 10.103 ( -1.970 4.494 -3.992) 6.326 10.103 ( -1.970 4.494 3.992) 6.326 10.862 ( -1.666 -2.982 -2.840) 4.442 10.862 ( -1.666 -2.982 2.840) 4.442 10.987 ( -6.167 4.258 -1.266) 7.600 10.987 ( -6.167 4.258 1.266) 7.600 11.313 ( -5.329 9.635 -2.507) 11.292 11.313 ( -5.329 9.635 2.507) 11.292 11.794 ( 5.399 6.006 -9.633) 12.570 11.794 ( 5.399 6.006 9.633) 12.570 12.253 ( 7.886 7.867 -8.065) 13.753 12.253 ( 7.886 7.867 8.065) 13.753 12.714 ( 3.148 -2.993 -15.442) 16.042 12.714 ( 3.148 -2.993 15.442) 16.042 13.114 ( -1.146 -26.446 -6.854) 27.344 13.114 ( -1.146 -26.446 6.854) 27.344 13.318 ( 2.829 -24.347 -11.926) 27.258 13.318 ( 2.829 -24.347 11.926) 27.258 13.759 ( -2.151 2.077 -9.983) 10.421 13.759 ( -2.151 2.077 9.983) 10.421 14.500 ( 5.904 5.754 -5.250) 9.775 14.500 ( 5.904 5.754 5.250) 9.775 15.282 ( -5.809 17.589 -9.610) 20.868 15.282 ( -5.809 17.589 9.610) 20.868 15.435 ( 1.575 9.068 -4.261) 10.142 15.435 ( 1.575 9.068 4.261) 10.142 15.982 ( -4.348 0.107 -11.416) 12.216 15.982 ( -4.348 0.107 11.416) 12.216 17.884 ( 1.243 -20.123 -11.963) 23.443 17.884 ( 1.243 -20.123 11.963) 23.443 18.167 ( -0.493 -38.932 -5.204) 39.282 18.167 ( -0.493 -38.932 5.204) 39.282 18.836 ( 2.519 7.076 -16.221) 17.875 18.836 ( 2.519 7.076 16.221) 17.875 20.312 ( -8.959 14.110 -8.943) 18.956 20.312 ( -8.959 14.110 8.943) 18.956 21.118 ( -9.402 19.972 -5.288) 22.699 21.118 ( -9.402 19.972 5.288) 22.699 21.302 ( -19.379 12.469 -9.945) 25.098 21.302 ( -19.379 12.469 9.945) 25.098 24.259 ( 13.108 -6.000 -13.345) 19.645 24.259 ( 13.108 -6.000 13.345) 19.645 25.488 ( 9.762 -14.123 -7.765) 18.842 25.488 ( 9.762 -14.123 7.765) 18.842 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 6.257 8.390 -9.750) 14.304 1.584 ( 6.257 8.390 9.750) 14.304 1.839 ( 8.219 4.883 -14.121) 17.053 1.839 ( 8.219 4.883 14.121) 17.053 2.227 ( -3.242 4.403 -4.776) 7.260 2.227 ( -3.242 4.403 4.776) 7.260 2.362 ( -13.507 5.129 -7.576) 16.314 2.362 ( -13.507 5.129 7.576) 16.314 2.846 ( -0.467 3.653 -0.980) 3.811 2.846 ( -0.467 3.653 0.980) 3.811 3.107 ( 2.000 5.298 -4.584) 7.286 3.107 ( 2.000 5.298 4.584) 7.286 3.167 ( 17.403 14.290 -19.532) 29.809 3.167 ( 17.403 14.290 19.532) 29.809 3.398 ( 0.594 6.564 -2.077) 6.911 3.398 ( 0.594 6.564 2.077) 6.911 3.526 ( -9.640 5.652 -2.638) 11.482 3.526 ( -9.640 5.652 2.638) 11.482 3.762 ( -4.865 2.665 -9.471) 10.976 3.762 ( -4.865 2.665 9.471) 10.976 4.421 ( 1.485 -1.950 -3.572) 4.332 4.421 ( 1.485 -1.950 3.572) 4.332 4.848 ( -0.104 -1.500 -3.323) 3.647 4.848 ( -0.104 -1.500 3.323) 3.647 5.340 ( 2.803 28.157 -2.435) 28.401 5.340 ( 2.803 28.157 2.435) 28.401 5.420 ( -2.814 28.408 -1.647) 28.595 5.420 ( -2.814 28.408 1.647) 28.595 5.906 ( 2.921 -0.056 -2.668) 3.957 5.906 ( 2.921 -0.056 2.668) 3.957 6.312 ( -2.802 -1.512 -1.862) 3.688 6.312 ( -2.802 -1.512 1.862) 3.688 7.149 ( 1.413 -1.443 -1.826) 2.723 7.149 ( 1.413 -1.443 1.826) 2.723 7.420 ( 1.170 -0.061 -1.879) 2.215 7.420 ( 1.170 -0.061 1.879) 2.215 7.791 ( 9.915 -6.458 -3.383) 12.307 7.791 ( 9.915 -6.458 3.383) 12.307 7.937 ( 0.285 -3.236 -1.222) 3.471 7.937 ( 0.285 -3.236 1.222) 3.471 8.147 ( -6.760 -0.474 -2.938) 7.387 8.147 ( -6.760 -0.474 2.938) 7.387 8.646 ( 12.117 19.874 -4.675) 23.741 8.646 ( 12.117 19.874 4.675) 23.741 9.041 ( -1.832 -5.619 -2.038) 6.252 9.041 ( -1.832 -5.619 2.038) 6.252 9.216 ( 4.769 10.538 -1.192) 11.628 9.216 ( 4.769 10.538 1.192) 11.628 9.310 ( -10.799 -0.020 -5.733) 12.226 9.310 ( -10.799 -0.020 5.733) 12.226 9.637 ( -6.257 12.518 -3.512) 14.429 9.637 ( -6.257 12.518 3.512) 14.429 10.040 ( -2.783 12.079 -1.135) 12.448 10.040 ( -2.783 12.079 1.135) 12.448 10.856 ( 0.707 0.097 -6.958) 6.994 10.856 ( 0.707 0.097 6.958) 6.994 10.905 ( -1.975 -8.674 -5.243) 10.327 10.905 ( -1.975 -8.674 5.243) 10.327 11.212 ( -3.635 10.842 -0.578) 11.450 11.212 ( -3.635 10.842 0.578) 11.450 11.876 ( 2.330 2.481 -4.108) 5.335 11.876 ( 2.330 2.481 4.108) 5.335 12.385 ( 4.152 5.891 -4.566) 8.532 12.385 ( 4.152 5.891 4.566) 8.532 12.768 ( 1.819 -2.864 -5.333) 6.320 12.768 ( 1.819 -2.864 5.333) 6.320 13.092 ( -0.804 -28.167 -2.205) 28.265 13.092 ( -0.804 -28.167 2.205) 28.265 13.375 ( 2.153 -20.603 -4.286) 21.154 13.375 ( 2.153 -20.603 4.286) 21.154 13.721 ( -1.315 0.320 -4.511) 4.709 13.721 ( -1.315 0.320 4.511) 4.709 14.630 ( 5.746 10.717 -4.857) 13.095 14.630 ( 5.746 10.717 4.857) 13.095 15.121 ( -7.609 11.745 -7.224) 15.749 15.121 ( -7.609 11.745 7.224) 15.749 15.489 ( 2.445 10.822 -1.973) 11.269 15.489 ( 2.445 10.822 1.973) 11.269 15.901 ( -2.844 1.736 -4.144) 5.318 15.901 ( -2.844 1.736 4.144) 5.318 17.909 ( 0.873 -21.599 -5.213) 22.236 17.909 ( 0.873 -21.599 5.213) 22.236 18.157 ( -0.375 -38.653 -2.407) 38.729 18.157 ( -0.375 -38.653 2.407) 38.729 18.892 ( 2.340 9.464 -8.406) 12.873 18.892 ( 2.340 9.464 8.406) 12.873 20.069 ( -10.628 11.341 -9.570) 18.252 20.069 ( -10.628 11.341 9.570) 18.252 20.904 ( -5.243 23.252 -3.428) 24.081 20.904 ( -5.243 23.252 3.428) 24.081 21.159 ( -2.144 17.094 -2.287) 17.379 21.159 ( -2.144 17.094 2.287) 17.379 24.429 ( 4.033 -6.561 -5.612) 9.530 24.429 ( 4.033 -6.561 5.612) 9.530 25.655 ( 5.241 -15.874 -2.243) 16.867 25.655 ( 5.241 -15.874 2.243) 16.867 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.000 15.128 -9.364) 17.792 1.593 ( 0.000 15.128 9.364) 17.792 1.757 ( 0.000 19.453 -8.082) 21.065 1.757 ( 0.000 19.453 8.082) 21.065 2.561 ( 0.000 5.940 -0.534) 5.964 2.561 ( 0.000 5.940 0.534) 5.964 3.024 ( 0.000 10.712 -4.366) 11.568 3.024 ( 0.000 10.712 4.366) 11.568 3.057 ( 0.000 7.562 -3.143) 8.189 3.057 ( 0.000 7.562 3.143) 8.189 3.113 ( 0.000 7.859 -3.766) 8.714 3.113 ( 0.000 7.859 3.766) 8.714 3.206 ( 0.000 23.213 -19.998) 30.639 3.206 ( 0.000 23.213 19.998) 30.639 3.432 ( 0.000 0.947 -6.093) 6.166 3.432 ( 0.000 0.947 6.093) 6.166 3.605 ( 0.000 9.174 -2.103) 9.412 3.605 ( 0.000 9.174 2.103) 9.412 3.925 ( 0.000 9.373 -8.781) 12.844 3.925 ( 0.000 9.373 8.781) 12.844 4.512 ( 0.000 2.489 -11.467) 11.735 4.512 ( 0.000 2.489 11.467) 11.735 4.837 ( 0.000 -0.841 -10.464) 10.498 4.837 ( 0.000 -0.841 10.464) 10.498 5.648 ( 0.000 9.043 -2.643) 9.421 5.648 ( 0.000 9.043 2.643) 9.421 5.972 ( 0.000 10.208 -1.230) 10.282 5.972 ( 0.000 10.208 1.230) 10.282 6.115 ( 0.000 35.535 -1.798) 35.580 6.115 ( 0.000 35.535 1.798) 35.580 6.472 ( 0.000 11.856 -2.567) 12.131 6.472 ( 0.000 11.856 2.567) 12.131 6.992 ( 0.000 1.363 -3.193) 3.472 6.992 ( 0.000 1.363 3.193) 3.472 7.333 ( 0.000 4.885 -3.042) 5.754 7.333 ( 0.000 4.885 3.042) 5.754 7.467 ( 0.000 -0.007 -1.275) 1.275 7.467 ( 0.000 -0.007 1.275) 1.275 8.125 ( 0.000 4.098 -6.098) 7.347 8.125 ( 0.000 4.098 6.098) 7.347 8.240 ( 0.000 0.603 -5.506) 5.538 8.240 ( 0.000 0.603 5.506) 5.538 8.689 ( 0.000 17.621 -3.922) 18.052 8.689 ( 0.000 17.621 3.922) 18.052 8.986 ( 0.000 -2.497 -3.327) 4.160 8.986 ( 0.000 -2.497 3.327) 4.160 9.305 ( 0.000 13.508 -0.114) 13.509 9.305 ( 0.000 13.508 0.114) 13.509 9.716 ( 0.000 6.277 -1.961) 6.576 9.716 ( 0.000 6.277 1.961) 6.576 9.958 ( 0.000 8.777 -5.078) 10.140 9.958 ( 0.000 8.777 5.078) 10.140 10.341 ( 0.000 15.145 -4.672) 15.849 10.341 ( 0.000 15.145 4.672) 15.849 10.691 ( 0.000 -7.781 -1.954) 8.023 10.691 ( 0.000 -7.781 1.954) 8.023 11.236 ( 0.000 0.229 -6.843) 6.847 11.236 ( 0.000 0.229 6.843) 6.847 11.489 ( 0.000 0.622 -13.131) 13.146 11.489 ( 0.000 0.622 13.131) 13.146 11.947 ( 0.000 8.321 -9.255) 12.445 11.947 ( 0.000 8.321 9.255) 12.445 12.290 ( 0.000 1.632 -4.543) 4.827 12.290 ( 0.000 1.632 4.543) 4.827 12.493 ( 0.000 -19.661 -5.689) 20.467 12.493 ( 0.000 -19.661 5.689) 20.467 12.669 ( 0.000 -13.208 -26.959) 30.021 12.669 ( 0.000 -13.208 26.959) 30.021 12.906 ( 0.000 -5.020 -22.483) 23.036 12.906 ( 0.000 -5.020 22.483) 23.036 13.791 ( 0.000 -1.894 -10.003) 10.181 13.791 ( 0.000 -1.894 10.003) 10.181 14.490 ( 0.000 2.296 -7.165) 7.524 14.490 ( 0.000 2.296 7.165) 7.524 15.488 ( 0.000 0.971 -8.587) 8.642 15.488 ( 0.000 0.971 8.587) 8.642 15.770 ( 0.000 16.942 -7.308) 18.451 15.770 ( 0.000 16.942 7.308) 18.451 16.030 ( 0.000 0.697 -9.966) 9.990 16.030 ( 0.000 0.697 9.966) 9.990 17.459 ( 0.000 -23.046 -4.680) 23.517 17.459 ( 0.000 -23.046 4.680) 23.517 17.533 ( 0.000 -20.569 -1.067) 20.597 17.533 ( 0.000 -20.569 1.067) 20.597 18.864 ( 0.000 -0.402 -29.276) 29.279 18.864 ( 0.000 -0.402 29.276) 29.279 20.415 ( 0.000 -11.516 -8.779) 14.480 20.415 ( 0.000 -11.516 8.779) 14.480 21.638 ( 0.000 24.649 -1.321) 24.685 21.638 ( 0.000 24.649 1.321) 24.685 21.837 ( 0.000 13.014 -2.880) 13.329 21.837 ( 0.000 13.014 2.880) 13.329 23.996 ( 0.000 -2.038 -7.116) 7.402 23.996 ( 0.000 -2.038 7.116) 7.402 25.058 ( 0.000 -18.995 -8.593) 20.849 25.058 ( 0.000 -18.995 8.593) 20.849 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 7.236 15.071 -7.348) 18.262 1.670 ( 7.236 15.071 7.348) 18.262 1.834 ( 7.323 16.296 -10.724) 20.838 1.834 ( 7.323 16.296 10.724) 20.838 2.488 ( -6.875 7.756 -2.622) 10.691 2.488 ( -6.875 7.756 2.622) 10.691 2.804 ( -15.781 7.688 -5.990) 18.548 2.804 ( -15.781 7.688 5.990) 18.548 2.990 ( -2.193 9.102 -2.338) 9.650 2.990 ( -2.193 9.102 2.338) 9.650 3.211 ( 1.060 6.296 -4.113) 7.595 3.211 ( 1.060 6.296 4.113) 7.595 3.301 ( 8.517 21.562 -17.966) 29.330 3.301 ( 8.517 21.562 17.966) 29.330 3.466 ( 4.625 5.241 -4.614) 8.375 3.466 ( 4.625 5.241 4.614) 8.375 3.655 ( 2.986 9.015 -4.337) 10.440 3.655 ( 2.986 9.015 4.337) 10.440 3.944 ( 1.073 8.728 -9.347) 12.833 3.944 ( 1.073 8.728 9.347) 12.833 4.479 ( -3.041 3.735 -9.206) 10.390 4.479 ( -3.041 3.735 9.206) 10.390 4.826 ( -0.731 -1.069 -8.387) 8.487 4.826 ( -0.731 -1.069 8.387) 8.487 5.702 ( 5.029 8.571 -2.134) 10.164 5.702 ( 5.029 8.571 2.134) 10.164 5.975 ( 0.049 10.272 -0.860) 10.308 5.975 ( 0.049 10.272 0.860) 10.308 6.119 ( 0.485 36.264 -1.921) 36.318 6.119 ( 0.485 36.264 1.921) 36.318 6.429 ( -4.175 12.172 -2.400) 13.090 6.429 ( -4.175 12.172 2.400) 13.090 7.059 ( 5.743 0.519 -3.063) 6.529 7.059 ( 5.743 0.519 3.063) 6.529 7.364 ( 2.843 2.926 -1.950) 4.522 7.364 ( 2.843 2.926 1.950) 4.522 7.539 ( 6.939 -0.598 -1.060) 7.045 7.539 ( 6.939 -0.598 1.060) 7.045 8.037 ( -6.204 5.204 -1.780) 8.291 8.037 ( -6.204 5.204 1.780) 8.291 8.244 ( -1.548 1.579 -2.652) 3.453 8.244 ( -1.548 1.579 2.652) 3.453 8.761 ( 6.868 14.882 -4.504) 16.998 8.761 ( 6.868 14.882 4.504) 16.998 8.988 ( 0.235 -0.720 -3.759) 3.835 8.988 ( 0.235 -0.720 3.759) 3.835 9.341 ( 2.514 10.411 -1.843) 10.868 9.341 ( 2.514 10.411 1.843) 10.868 9.626 ( -7.194 10.154 -8.919) 15.311 9.626 ( -7.194 10.154 8.919) 15.311 9.948 ( -1.672 9.792 -7.258) 12.303 9.948 ( -1.672 9.792 7.258) 12.303 10.339 ( -0.829 13.686 -5.676) 14.839 10.339 ( -0.829 13.686 5.676) 14.839 10.689 ( 0.497 -5.965 -3.381) 6.874 10.689 ( 0.497 -5.965 3.381) 6.874 11.107 ( -10.154 2.762 -2.289) 10.769 11.107 ( -10.154 2.762 2.289) 10.769 11.465 ( -3.676 0.216 -8.121) 8.917 11.465 ( -3.676 0.216 8.121) 8.917 11.956 ( 1.086 9.170 -8.759) 12.727 11.956 ( 1.086 9.170 8.759) 12.727 12.276 ( -0.538 -9.833 -2.110) 10.071 12.276 ( -0.538 -9.833 2.110) 10.071 12.514 ( 0.930 -21.275 -3.770) 21.627 12.514 ( 0.930 -21.275 3.770) 21.627 12.678 ( 1.782 -7.584 -14.096) 16.106 12.678 ( 1.782 -7.584 14.096) 16.106 12.998 ( 7.388 -3.438 -13.585) 15.842 12.998 ( 7.388 -3.438 13.585) 15.842 13.746 ( -3.739 -2.589 -8.460) 9.605 13.746 ( -3.739 -2.589 8.460) 9.605 14.592 ( 9.422 3.595 -8.203) 13.000 14.592 ( 9.422 3.595 8.203) 13.000 15.431 ( -6.612 0.939 -10.734) 12.642 15.431 ( -6.612 0.939 10.734) 12.642 15.761 ( 0.040 16.501 -6.303) 17.664 15.761 ( 0.040 16.501 6.303) 17.664 16.003 ( -2.500 1.680 -7.609) 8.184 16.003 ( -2.500 1.680 7.609) 8.184 17.466 ( 0.598 -23.948 -4.562) 24.386 17.466 ( 0.598 -23.948 4.562) 24.386 17.529 ( -0.416 -19.878 -1.833) 19.967 17.529 ( -0.416 -19.878 1.833) 19.967 18.901 ( 3.538 -0.367 -26.606) 26.842 18.901 ( 3.538 -0.367 26.606) 26.842 20.284 ( -12.574 -12.495 -14.446) 22.868 20.284 ( -12.574 -12.495 14.446) 22.868 21.604 ( -4.245 24.801 -2.596) 25.296 21.604 ( -4.245 24.801 2.596) 25.296 21.678 ( -9.888 22.550 -5.478) 25.225 21.678 ( -9.888 22.550 5.478) 25.225 24.130 ( 9.735 -6.186 -10.178) 15.382 24.130 ( 9.735 -6.186 10.178) 15.382 25.134 ( 6.774 -20.707 -6.740) 22.805 25.134 ( 6.774 -20.707 6.740) 22.805 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 5.813 14.935 -4.410) 16.622 1.820 ( 5.813 14.935 4.410) 16.622 2.007 ( 8.592 11.906 -12.788) 19.471 2.007 ( 8.592 11.906 12.788) 19.471 2.347 ( -5.637 8.407 -6.186) 11.862 2.347 ( -5.637 8.407 6.186) 11.862 2.509 ( -11.988 8.917 -5.404) 15.888 2.509 ( -11.988 8.917 5.404) 15.888 2.963 ( -0.636 8.257 -0.478) 8.295 2.963 ( -0.636 8.257 0.478) 8.295 3.208 ( -0.344 4.639 -1.941) 5.040 3.208 ( -0.344 4.639 1.941) 5.040 3.478 ( 7.548 13.545 -8.792) 17.825 3.478 ( 7.548 13.545 8.792) 17.825 3.554 ( 2.445 10.184 -3.406) 11.013 3.554 ( 2.445 10.184 3.406) 11.013 3.702 ( 2.713 12.869 -8.740) 15.791 3.702 ( 2.713 12.869 8.740) 15.791 3.908 ( -4.812 11.459 -10.022) 15.966 3.908 ( -4.812 11.459 10.022) 15.966 4.429 ( -1.269 3.092 -3.182) 4.614 4.429 ( -1.269 3.092 3.182) 4.614 4.821 ( 0.126 -1.338 -2.913) 3.208 4.821 ( 0.126 -1.338 2.913) 3.208 5.815 ( 5.533 5.802 -2.119) 8.293 5.815 ( 5.533 5.802 2.119) 8.293 5.948 ( -2.982 15.735 -2.090) 16.151 5.948 ( -2.982 15.735 2.090) 16.151 6.146 ( 2.082 36.336 -1.165) 36.414 6.146 ( 2.082 36.336 1.165) 36.414 6.335 ( -4.209 9.730 -1.457) 10.701 6.335 ( -4.209 9.730 1.457) 10.701 7.155 ( 2.914 2.204 -1.422) 3.921 7.155 ( 2.914 2.204 1.422) 3.921 7.418 ( 1.849 -0.350 -0.815) 2.051 7.418 ( 1.849 -0.350 0.815) 2.051 7.701 ( 7.714 -1.750 -0.352) 7.918 7.701 ( 7.714 -1.750 0.352) 7.918 7.936 ( -3.776 2.917 -1.171) 4.913 7.936 ( -3.776 2.917 1.171) 4.913 8.181 ( -3.435 5.824 -1.471) 6.920 8.181 ( -3.435 5.824 1.471) 6.920 8.890 ( 3.087 -0.680 -1.583) 3.536 8.890 ( 3.087 -0.680 1.583) 3.536 9.045 ( 7.917 12.163 -2.911) 14.802 9.045 ( 7.917 12.163 2.911) 14.802 9.298 ( -8.395 2.970 -0.045) 8.905 9.298 ( -8.395 2.970 0.045) 8.905 9.540 ( -0.342 17.955 -4.814) 18.592 9.540 ( -0.342 17.955 4.814) 18.592 9.905 ( -1.743 14.860 -4.225) 15.547 9.905 ( -1.743 14.860 4.225) 15.547 10.304 ( -1.822 9.059 -2.137) 9.484 10.304 ( -1.822 9.059 2.137) 9.484 10.724 ( 2.251 -1.088 -2.708) 3.686 10.724 ( 2.251 -1.088 2.708) 3.686 10.935 ( -5.788 2.948 -0.576) 6.521 10.935 ( -5.788 2.948 0.576) 6.521 11.377 ( -3.486 1.703 -3.255) 5.064 11.377 ( -3.486 1.703 3.255) 5.064 11.980 ( 0.896 7.097 -3.790) 8.095 11.980 ( 0.896 7.097 3.790) 8.095 12.273 ( -0.034 -19.303 -2.284) 19.438 12.273 ( -0.034 -19.303 2.284) 19.438 12.519 ( -0.053 -24.256 -1.686) 24.314 12.519 ( -0.053 -24.256 1.686) 24.314 12.726 ( 2.001 -1.802 -2.889) 3.949 12.726 ( 2.001 -1.802 2.889) 3.949 13.121 ( 3.949 -2.200 -4.437) 6.334 13.121 ( 3.949 -2.200 4.437) 6.334 13.680 ( -2.203 -3.638 -3.550) 5.540 13.680 ( -2.203 -3.638 3.550) 5.540 14.804 ( 10.169 6.392 -8.092) 14.482 14.804 ( 10.169 6.392 8.092) 14.482 15.242 ( -10.153 1.794 -9.921) 14.308 15.242 ( -10.153 1.794 9.921) 14.308 15.788 ( 1.893 14.948 -3.220) 15.407 15.788 ( 1.893 14.948 3.220) 15.407 15.949 ( -2.318 2.459 -3.025) 4.535 15.949 ( -2.318 2.459 3.025) 4.535 17.478 ( 0.480 -26.584 -2.627) 26.717 17.478 ( 0.480 -26.584 2.627) 26.717 17.520 ( -0.368 -17.592 -1.605) 17.669 17.520 ( -0.368 -17.592 1.605) 17.669 18.978 ( 3.149 -0.404 -13.211) 13.587 18.978 ( 3.149 -0.404 13.211) 13.587 20.030 ( -9.410 -10.654 -10.721) 17.804 20.030 ( -9.410 -10.654 10.721) 17.804 21.492 ( -3.420 29.937 -2.378) 30.226 21.492 ( -3.420 29.937 2.378) 30.226 21.592 ( -1.657 24.808 -1.934) 24.938 21.592 ( -1.657 24.808 1.934) 24.938 24.267 ( 3.567 -9.037 -4.685) 10.786 24.267 ( 3.567 -9.037 4.685) 10.786 25.257 ( 4.093 -23.095 -2.175) 23.555 25.257 ( 4.093 -23.095 2.175) 23.555 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.963 ( 0.000 21.228 -5.361) 21.895 1.963 ( 0.000 21.228 5.361) 21.895 2.162 ( 0.000 20.522 -7.606) 21.886 2.162 ( 0.000 20.522 7.606) 21.886 2.708 ( 0.000 8.615 -1.472) 8.740 2.708 ( 0.000 8.615 1.472) 8.740 3.165 ( 0.000 4.661 -0.593) 4.699 3.165 ( 0.000 4.661 0.593) 4.699 3.200 ( 0.000 7.630 -3.058) 8.220 3.200 ( 0.000 7.630 3.058) 8.220 3.270 ( 0.000 6.588 -7.150) 9.722 3.270 ( 0.000 6.588 7.150) 9.722 3.440 ( 0.000 2.416 -2.976) 3.833 3.440 ( 0.000 2.416 2.976) 3.833 3.652 ( 0.000 18.140 -3.722) 18.518 3.652 ( 0.000 18.140 3.722) 18.518 3.874 ( 0.000 17.837 -9.332) 20.131 3.874 ( 0.000 17.837 9.332) 20.131 4.133 ( 0.000 10.455 -10.284) 14.665 4.133 ( 0.000 10.455 10.284) 14.665 4.594 ( 0.000 5.904 -11.099) 12.572 4.594 ( 0.000 5.904 11.099) 12.572 4.835 ( 0.000 0.916 -8.729) 8.777 4.835 ( 0.000 0.916 8.729) 8.777 5.747 ( 0.000 3.189 -0.399) 3.214 5.747 ( 0.000 3.189 0.399) 3.214 5.998 ( 0.000 -3.329 -1.896) 3.831 5.998 ( 0.000 -3.329 1.896) 3.831 6.703 ( 0.000 18.861 -1.128) 18.895 6.703 ( 0.000 18.861 1.128) 18.895 6.824 ( 0.000 15.265 -0.774) 15.285 6.824 ( 0.000 15.265 0.774) 15.285 7.087 ( 0.000 11.394 -2.206) 11.606 7.087 ( 0.000 11.394 2.207) 11.606 7.453 ( 0.000 7.376 -5.340) 9.106 7.453 ( 0.000 7.376 5.340) 9.106 7.562 ( 0.000 10.352 -2.659) 10.688 7.562 ( 0.000 10.352 2.659) 10.688 8.247 ( 0.000 8.196 -1.117) 8.272 8.247 ( 0.000 8.196 1.117) 8.272 8.324 ( 0.000 7.336 -5.616) 9.239 8.324 ( 0.000 7.336 5.616) 9.239 8.890 ( 0.000 4.656 -3.309) 5.712 8.890 ( 0.000 4.656 3.309) 5.712 9.136 ( 0.000 16.805 -5.839) 17.791 9.136 ( 0.000 16.805 5.839) 17.791 9.626 ( 0.000 19.502 -0.521) 19.509 9.626 ( 0.000 19.502 0.521) 19.509 9.821 ( 0.000 4.611 -0.660) 4.658 9.821 ( 0.000 4.611 0.660) 4.658 10.202 ( 0.000 13.416 -9.466) 16.419 10.202 ( 0.000 13.416 9.466) 16.419 10.520 ( 0.000 3.416 -7.733) 8.454 10.520 ( 0.000 3.416 7.733) 8.454 10.662 ( 0.000 3.119 -9.308) 9.817 10.662 ( 0.000 3.119 9.308) 9.817 11.137 ( 0.000 -18.048 -5.999) 19.018 11.137 ( 0.000 -18.048 5.999) 19.018 11.256 ( 0.000 -12.738 -9.604) 15.952 11.256 ( 0.000 -12.738 9.604) 15.952 11.837 ( 0.000 -17.632 -3.875) 18.053 11.837 ( 0.000 -17.632 3.875) 18.053 12.240 ( 0.000 8.218 -1.700) 8.392 12.240 ( 0.000 8.218 1.700) 8.392 12.436 ( 0.000 -1.190 -8.396) 8.480 12.436 ( 0.000 -1.190 8.396) 8.480 12.535 ( 0.000 2.920 -25.247) 25.416 12.535 ( 0.000 2.920 25.247) 25.416 13.016 ( 0.000 11.065 -32.870) 34.682 13.016 ( 0.000 11.065 32.870) 34.682 13.736 ( 0.000 -3.187 -9.572) 10.089 13.736 ( 0.000 -3.187 9.572) 10.089 14.540 ( 0.000 3.219 -9.451) 9.984 14.540 ( 0.000 3.219 9.451) 9.984 15.441 ( 0.000 -4.705 -14.177) 14.937 15.441 ( 0.000 -4.705 14.177) 14.937 15.930 ( 0.000 -1.482 -0.338) 1.520 15.930 ( 0.000 -1.482 0.338) 1.520 15.996 ( 0.000 -6.107 -8.334) 10.332 15.996 ( 0.000 -6.107 8.334) 10.332 17.181 ( 0.000 -2.622 -6.677) 7.173 17.181 ( 0.000 -2.622 6.677) 7.173 17.290 ( 0.000 -5.679 -4.573) 7.291 17.290 ( 0.000 -5.679 4.573) 7.291 18.816 ( 0.000 -3.815 -32.338) 32.563 18.816 ( 0.000 -3.815 32.338) 32.563 20.072 ( 0.000 -20.981 -17.287) 27.185 20.072 ( 0.000 -20.981 17.287) 27.185 21.979 ( 0.000 7.240 -0.055) 7.240 21.979 ( 0.000 7.240 0.055) 7.240 22.148 ( 0.000 19.106 -0.945) 19.129 22.148 ( 0.000 19.106 0.945) 19.129 23.989 ( 0.000 0.997 -2.705) 2.883 23.989 ( 0.000 0.997 2.705) 2.883 24.665 ( 0.000 -20.304 -6.278) 21.253 24.665 ( 0.000 -20.304 6.278) 21.253 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 5.470 19.584 -4.741) 20.879 2.019 ( 5.470 19.584 4.741) 20.879 2.190 ( 2.661 18.491 -5.160) 19.381 2.190 ( 2.661 18.491 5.160) 19.381 2.667 ( -4.097 9.782 -0.595) 10.622 2.667 ( -4.097 9.782 0.595) 10.622 2.945 ( -14.199 7.090 -5.427) 16.773 2.945 ( -14.199 7.090 5.427) 16.773 3.186 ( -2.749 10.255 -3.845) 11.292 3.186 ( -2.749 10.255 3.845) 11.292 3.308 ( -0.589 3.716 -1.000) 3.893 3.308 ( -0.589 3.716 1.000) 3.893 3.495 ( 7.643 4.195 -3.768) 9.498 3.495 ( 7.643 4.195 3.768) 9.498 3.756 ( 5.626 16.428 -3.767) 17.768 3.756 ( 5.626 16.428 3.767) 17.768 3.906 ( 3.506 16.170 -9.272) 18.967 3.906 ( 3.506 16.170 9.272) 18.967 4.143 ( 1.092 10.509 -11.394) 15.539 4.143 ( 1.092 10.509 11.394) 15.539 4.584 ( -1.293 6.854 -10.607) 12.695 4.584 ( -1.293 6.854 10.607) 12.695 4.817 ( -1.401 0.647 -7.615) 7.770 4.817 ( -1.401 0.647 7.615) 7.770 5.776 ( 2.543 1.754 -0.452) 3.122 5.776 ( 2.543 1.754 0.452) 3.122 6.004 ( 0.590 -3.409 -1.491) 3.768 6.004 ( 0.590 -3.409 1.491) 3.768 6.705 ( -0.864 18.856 -0.199) 18.876 6.705 ( -0.864 18.856 0.199) 18.876 6.849 ( 2.439 21.716 -1.825) 21.929 6.849 ( 2.439 21.716 1.825) 21.929 7.113 ( 3.244 6.261 -2.122) 7.364 7.113 ( 3.244 6.261 2.122) 7.364 7.457 ( -0.493 7.614 -6.807) 10.225 7.457 ( -0.493 7.614 6.807) 10.225 7.602 ( 4.834 7.574 -4.750) 10.163 7.602 ( 4.834 7.574 4.750) 10.163 8.184 ( -6.189 7.883 -1.712) 10.167 8.184 ( -6.189 7.883 1.712) 10.167 8.359 ( 3.272 11.166 -5.364) 12.813 8.359 ( 3.272 11.166 5.364) 12.813 8.910 ( 1.071 4.573 -2.084) 5.139 8.910 ( 1.071 4.573 2.084) 5.139 9.170 ( 3.741 15.666 -3.046) 16.392 9.170 ( 3.741 15.666 3.046) 16.392 9.548 ( -6.388 11.496 -1.862) 13.283 9.548 ( -6.388 11.496 1.862) 13.283 9.868 ( 3.297 12.759 -5.452) 14.261 9.868 ( 3.297 12.759 5.452) 14.261 10.194 ( -0.182 14.231 -7.501) 16.088 10.194 ( -0.182 14.231 7.501) 16.088 10.451 ( -6.232 2.029 -5.104) 8.307 10.451 ( -6.232 2.029 5.104) 8.307 10.716 ( 4.683 2.793 -6.919) 8.810 10.716 ( 4.683 2.793 6.919) 8.810 11.092 ( -5.253 -8.125 -4.187) 10.542 11.092 ( -5.253 -8.125 4.187) 10.542 11.214 ( -2.910 -19.644 -8.153) 21.467 11.214 ( -2.910 -19.644 8.153) 21.467 11.834 ( -0.184 -17.663 -4.468) 18.221 11.834 ( -0.184 -17.663 4.468) 18.221 12.114 ( -9.302 0.068 -7.155) 11.736 12.114 ( -9.302 0.068 7.155) 11.736 12.453 ( 0.141 11.638 -4.468) 12.467 12.453 ( 0.141 11.638 4.468) 12.467 12.593 ( 5.199 -3.120 -12.700) 14.073 12.593 ( 5.199 -3.120 12.700) 14.073 13.091 ( 6.275 9.274 -23.455) 25.991 13.091 ( 6.275 9.274 23.455) 25.991 13.684 ( -4.470 -3.257 -8.709) 10.317 13.684 ( -4.470 -3.257 8.709) 10.317 14.655 ( 10.558 3.285 -10.390) 15.173 14.655 ( 10.558 3.285 10.390) 15.173 15.393 ( -5.216 -3.886 -14.376) 15.779 15.393 ( -5.216 -3.886 14.376) 15.779 15.917 ( -0.870 -1.324 -2.175) 2.691 15.917 ( -0.870 -1.324 2.175) 2.691 15.982 ( -1.308 -5.905 -7.450) 9.596 15.982 ( -1.308 -5.905 7.450) 9.596 17.176 ( -0.455 -3.004 -4.966) 5.822 17.176 ( -0.455 -3.004 4.966) 5.822 17.292 ( 0.153 -5.593 -3.409) 6.552 17.292 ( 0.153 -5.593 3.409) 6.552 18.848 ( 3.093 -4.186 -29.145) 29.606 18.848 ( 3.093 -4.186 29.145) 29.606 19.955 ( -10.529 -19.271 -18.984) 29.028 19.955 ( -10.529 -19.271 18.984) 29.028 21.960 ( -1.290 10.748 -3.587) 11.404 21.960 ( -1.290 10.748 3.587) 11.404 22.111 ( -3.255 20.069 -1.668) 20.399 22.111 ( -3.255 20.069 1.668) 20.399 24.041 ( 4.113 -2.810 -5.738) 7.599 24.041 ( 4.113 -2.810 5.738) 7.599 24.718 ( 4.748 -20.829 -5.340) 22.020 24.718 ( 4.748 -20.829 5.340) 22.020 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 3.828 16.100 -3.132) 16.842 2.132 ( 3.828 16.100 3.132) 16.842 2.278 ( 6.952 14.756 -8.995) 18.628 2.278 ( 6.952 14.756 8.995) 18.628 2.545 ( -8.639 10.947 -6.679) 15.463 2.545 ( -8.639 10.947 6.679) 15.463 2.708 ( -6.844 11.794 -2.113) 13.799 2.708 ( -6.844 11.794 2.113) 13.799 3.155 ( -0.498 10.776 -1.039) 10.837 3.155 ( -0.498 10.776 1.039) 10.837 3.288 ( -0.746 3.741 -1.041) 3.954 3.288 ( -0.746 3.741 1.041) 3.954 3.655 ( 7.611 6.126 -2.943) 10.204 3.655 ( 7.611 6.126 2.943) 10.204 3.770 ( -3.536 10.244 -0.996) 10.883 3.770 ( -3.536 10.244 0.996) 10.883 4.009 ( 5.070 16.042 -8.100) 18.673 4.009 ( 5.070 16.042 8.100) 18.673 4.161 ( 0.120 13.250 -8.783) 15.897 4.161 ( 0.120 13.250 8.783) 15.897 4.544 ( -2.002 8.404 -5.034) 9.999 4.544 ( -2.002 8.404 5.034) 9.999 4.799 ( -0.315 -0.392 -3.041) 3.082 4.799 ( -0.315 -0.392 3.041) 3.082 5.823 ( 1.698 -0.889 -0.392) 1.956 5.823 ( 1.698 -0.889 0.392) 1.956 6.015 ( 0.347 -3.485 -0.470) 3.534 6.015 ( 0.347 -3.485 0.470) 3.534 6.671 ( -1.580 19.066 -0.240) 19.133 6.671 ( -1.580 19.066 0.240) 19.133 6.886 ( 0.916 30.203 -0.438) 30.220 6.886 ( 0.916 30.203 0.438) 30.220 7.211 ( 5.051 2.819 -1.151) 5.898 7.211 ( 5.051 2.819 1.151) 5.898 7.426 ( -2.085 3.417 -3.607) 5.388 7.426 ( -2.085 3.417 3.607) 5.388 7.742 ( 7.969 5.715 -3.503) 10.413 7.742 ( 7.969 5.715 3.503) 10.413 8.026 ( -8.517 5.804 -2.139) 10.526 8.026 ( -8.517 5.804 2.139) 10.526 8.431 ( 2.976 19.011 -2.826) 19.449 8.431 ( 2.976 19.011 2.826) 19.449 8.908 ( -0.802 4.294 -0.403) 4.387 8.908 ( -0.802 4.294 0.403) 4.387 9.266 ( 4.648 10.083 -1.123) 11.160 9.266 ( 4.648 10.083 1.123) 11.160 9.429 ( -4.723 10.150 -0.509) 11.206 9.429 ( -4.723 10.150 0.509) 11.206 9.923 ( 2.083 19.674 -3.690) 20.125 9.923 ( 2.083 19.674 3.690) 20.125 10.180 ( -2.112 7.958 -5.946) 10.155 10.180 ( -2.112 7.958 5.946) 10.155 10.353 ( -1.824 6.806 -1.489) 7.201 10.353 ( -1.824 6.806 1.489) 7.201 10.806 ( 3.535 0.483 -4.197) 5.509 10.806 ( 3.535 0.483 4.197) 5.509 10.965 ( -5.463 -1.136 -1.004) 5.670 10.965 ( -5.463 -1.136 1.004) 5.670 11.171 ( -1.419 -21.531 -3.726) 21.897 11.171 ( -1.419 -21.531 3.726) 21.897 11.843 ( 1.295 -16.084 -4.595) 16.777 11.843 ( 1.295 -16.084 4.595) 16.777 11.957 ( -5.711 -6.770 -5.566) 10.461 11.957 ( -5.711 -6.770 5.566) 10.461 12.449 ( -0.223 12.696 -1.618) 12.801 12.449 ( -0.223 12.696 1.618) 12.801 12.684 ( 2.927 -2.455 -4.064) 5.578 12.684 ( 2.927 -2.455 4.064) 5.578 13.200 ( 3.616 7.634 -8.446) 11.945 13.200 ( 3.616 7.634 8.446) 11.945 13.603 ( -2.797 -3.640 -4.155) 6.192 13.603 ( -2.797 -3.640 4.155) 6.192 14.892 ( 11.610 3.248 -10.250) 15.824 14.892 ( 11.610 3.248 10.250) 15.824 15.238 ( -9.325 -1.582 -11.922) 15.218 15.238 ( -9.325 -1.582 11.922) 15.218 15.916 ( 0.880 -2.951 -3.808) 4.897 15.916 ( 0.880 -2.951 3.808) 4.897 15.950 ( -1.795 -4.384 -5.491) 7.252 15.950 ( -1.795 -4.384 5.491) 7.252 17.168 ( -0.279 -3.562 -1.660) 3.939 17.168 ( -0.279 -3.562 1.660) 3.939 17.294 ( 0.092 -5.519 -1.162) 5.641 17.294 ( 0.092 -5.519 1.162) 5.641 18.914 ( 2.664 -5.015 -14.185) 15.279 18.914 ( 2.664 -5.015 14.185) 15.279 19.756 ( -7.055 -15.994 -11.279) 20.804 19.756 ( -7.055 -15.994 11.279) 20.804 21.952 ( 0.460 16.211 -3.343) 16.559 21.952 ( 0.460 16.211 3.343) 16.559 22.046 ( -2.643 19.622 -2.346) 19.938 22.046 ( -2.643 19.622 2.346) 19.938 24.105 ( 1.829 -6.979 -2.945) 7.793 24.105 ( 1.829 -6.979 2.945) 7.793 24.805 ( 2.938 -21.925 -2.001) 22.211 24.805 ( 2.938 -21.925 2.001) 22.211 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 0.000 20.417 -3.055) 20.644 2.380 ( 0.000 20.417 3.055) 20.644 2.510 ( 0.000 13.880 -4.192) 14.499 2.510 ( 0.000 13.880 4.192) 14.499 2.891 ( 0.000 10.042 -2.062) 10.251 2.891 ( 0.000 10.042 2.062) 10.251 3.241 ( 0.000 2.928 -1.238) 3.180 3.241 ( 0.000 2.928 1.238) 3.180 3.278 ( 0.000 0.600 -7.710) 7.733 3.278 ( 0.000 0.600 7.710) 7.733 3.401 ( 0.000 7.144 -1.473) 7.294 3.401 ( 0.000 7.144 1.473) 7.294 3.524 ( 0.000 5.568 -0.422) 5.584 3.524 ( 0.000 5.568 0.422) 5.584 3.938 ( 0.000 11.470 -5.987) 12.938 3.938 ( 0.000 11.470 5.987) 12.938 4.166 ( 0.000 8.095 -1.267) 8.194 4.166 ( 0.000 8.095 1.267) 8.194 4.356 ( 0.000 13.886 -16.912) 21.883 4.356 ( 0.000 13.886 16.912) 21.883 4.739 ( 0.000 8.832 -5.755) 10.541 4.739 ( 0.000 8.832 5.755) 10.541 4.882 ( 0.000 3.757 -6.040) 7.113 4.882 ( 0.000 3.757 6.040) 7.113 5.806 ( 0.000 3.226 -2.697) 4.204 5.806 ( 0.000 3.226 2.697) 4.204 5.929 ( 0.000 -2.904 -2.223) 3.657 5.929 ( 0.000 -2.904 2.223) 3.657 6.883 ( 0.000 4.362 -3.126) 5.366 6.883 ( 0.000 4.362 3.126) 5.366 7.008 ( 0.000 6.607 -0.651) 6.639 7.008 ( 0.000 6.607 0.651) 6.639 7.350 ( 0.000 10.463 -4.914) 11.559 7.350 ( 0.000 10.463 4.914) 11.559 7.636 ( 0.000 10.457 -4.030) 11.207 7.636 ( 0.000 10.457 4.030) 11.207 7.817 ( 0.000 13.849 -4.944) 14.705 7.817 ( 0.000 13.849 4.944) 14.705 8.410 ( 0.000 7.720 -8.413) 11.419 8.410 ( 0.000 7.720 8.413) 11.419 8.500 ( 0.000 9.831 -4.314) 10.736 8.500 ( 0.000 9.831 4.314) 10.736 9.042 ( 0.000 10.719 -1.644) 10.844 9.042 ( 0.000 10.719 1.644) 10.844 9.444 ( 0.000 11.498 -4.419) 12.318 9.444 ( 0.000 11.498 4.419) 12.318 9.876 ( 0.000 1.743 -3.205) 3.648 9.876 ( 0.000 1.743 3.205) 3.648 9.986 ( 0.000 10.317 -3.171) 10.793 9.986 ( 0.000 10.317 3.171) 10.793 10.373 ( 0.000 -3.134 -4.915) 5.829 10.373 ( 0.000 -3.134 4.915) 5.829 10.520 ( 0.000 -12.420 -1.835) 12.554 10.520 ( 0.000 -12.420 1.835) 12.554 10.657 ( 0.000 1.337 -0.678) 1.499 10.657 ( 0.000 1.337 0.678) 1.499 10.817 ( 0.000 9.981 -2.486) 10.286 10.817 ( 0.000 9.981 2.486) 10.286 11.142 ( 0.000 -2.082 -12.989) 13.154 11.142 ( 0.000 -2.082 12.989) 13.154 11.661 ( 0.000 0.562 -4.061) 4.100 11.661 ( 0.000 0.562 4.061) 4.100 12.264 ( 0.000 -11.890 -18.521) 22.009 12.264 ( 0.000 -11.890 18.521) 22.009 12.422 ( 0.000 8.272 -2.602) 8.672 12.422 ( 0.000 8.272 2.602) 8.672 12.747 ( 0.000 12.161 -7.698) 14.392 12.747 ( 0.000 12.161 7.698) 14.392 13.248 ( 0.000 11.918 -31.099) 33.305 13.248 ( 0.000 11.918 31.099) 33.305 13.674 ( 0.000 -3.302 -8.036) 8.688 13.674 ( 0.000 -3.302 8.036) 8.688 14.627 ( 0.000 5.878 -6.372) 8.669 14.627 ( 0.000 5.878 6.372) 8.669 15.343 ( 0.000 -4.428 -16.274) 16.866 15.343 ( 0.000 -4.428 16.274) 16.866 15.744 ( 0.000 -13.885 -9.382) 16.757 15.744 ( 0.000 -13.885 9.382) 16.757 15.826 ( 0.000 -10.602 -2.885) 10.988 15.826 ( 0.000 -10.602 2.885) 10.988 17.273 ( 0.000 7.313 -9.691) 12.140 17.273 ( 0.000 7.313 9.691) 12.140 17.285 ( 0.000 5.118 -8.003) 9.499 17.285 ( 0.000 5.118 8.003) 9.499 18.743 ( 0.000 -2.941 -28.595) 28.745 18.743 ( 0.000 -2.941 28.595) 28.745 19.654 ( 0.000 -20.726 -20.962) 29.478 19.654 ( 0.000 -20.726 20.962) 29.478 22.029 ( 0.000 -0.731 -2.149) 2.270 22.029 ( 0.000 -0.731 2.149) 2.270 22.439 ( 0.000 8.977 -0.723) 9.006 22.439 ( 0.000 8.977 0.723) 9.006 24.015 ( 0.000 1.096 -0.397) 1.166 24.015 ( 0.000 1.096 0.397) 1.166 24.298 ( 0.000 -16.096 -3.754) 16.528 24.298 ( 0.000 -16.096 3.754) 16.528 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 2.215 19.029 -4.169) 19.606 2.404 ( 2.215 19.029 4.169) 19.606 2.508 ( 0.092 12.962 -1.831) 13.091 2.508 ( 0.092 12.962 1.831) 13.091 2.855 ( -3.655 9.250 -2.301) 10.208 2.855 ( -3.655 9.250 2.301) 10.208 3.088 ( -8.710 7.365 -5.045) 12.472 3.088 ( -8.710 7.365 5.045) 12.472 3.350 ( 0.673 2.603 -1.198) 2.943 3.350 ( 0.673 2.603 1.198) 2.943 3.384 ( -0.902 7.403 -1.319) 7.573 3.384 ( -0.902 7.403 1.319) 7.573 3.578 ( 6.443 4.396 -3.248) 8.449 3.578 ( 6.443 4.396 3.248) 8.449 4.016 ( 3.223 10.449 -2.588) 11.237 4.016 ( 3.223 10.449 2.588) 11.237 4.142 ( 0.541 5.594 -3.364) 6.550 4.142 ( 0.541 5.594 3.364) 6.550 4.378 ( 1.531 13.389 -16.006) 20.924 4.378 ( 1.531 13.389 16.006) 20.924 4.736 ( -0.152 8.571 -8.402) 12.003 4.736 ( -0.152 8.571 8.402) 12.003 4.875 ( -0.882 5.448 -4.873) 7.362 4.875 ( -0.882 5.448 4.873) 7.362 5.806 ( 0.007 1.609 -2.217) 2.739 5.806 ( 0.007 1.609 2.217) 2.739 5.933 ( 0.355 -2.976 -1.530) 3.365 5.933 ( 0.355 -2.976 1.530) 3.365 6.916 ( 2.687 5.917 -1.798) 6.743 6.916 ( 2.687 5.917 1.798) 6.743 7.083 ( 7.209 6.708 -4.186) 10.700 7.083 ( 7.209 6.708 4.186) 10.700 7.291 ( -4.472 8.138 -7.828) 12.145 7.291 ( -4.472 8.138 7.828) 12.145 7.665 ( 1.569 11.378 -4.876) 12.478 7.665 ( 1.569 11.378 4.876) 12.478 7.829 ( 1.676 14.270 -7.377) 16.151 7.829 ( 1.676 14.270 7.377) 16.151 8.318 ( -6.937 6.253 -8.776) 12.816 8.318 ( -6.937 6.253 8.776) 12.816 8.621 ( 9.185 12.990 -5.011) 16.680 8.621 ( 9.185 12.990 5.011) 16.680 9.056 ( 0.903 10.026 -0.783) 10.097 9.056 ( 0.903 10.026 0.783) 10.097 9.449 ( 0.846 10.591 -2.726) 10.969 9.449 ( 0.846 10.591 2.726) 10.969 9.775 ( -7.492 9.466 -4.359) 12.835 9.775 ( -7.492 9.466 4.359) 12.835 10.020 ( 2.104 2.035 -1.390) 3.240 10.020 ( 2.104 2.035 1.390) 3.240 10.413 ( 2.987 -5.450 -4.747) 7.821 10.413 ( 2.987 -5.450 4.747) 7.821 10.500 ( -2.284 -9.543 -3.064) 10.280 10.500 ( -2.284 -9.543 3.064) 10.280 10.689 ( 2.055 6.070 -0.912) 6.473 10.689 ( 2.055 6.070 0.912) 6.473 10.737 ( -5.814 1.588 -1.989) 6.347 10.737 ( -5.814 1.588 1.989) 6.347 11.121 ( -2.374 3.097 -11.735) 12.367 11.121 ( -2.374 3.097 11.735) 12.367 11.653 ( -0.003 -1.104 -1.642) 1.979 11.653 ( -0.003 -1.104 1.642) 1.979 12.107 ( -11.047 -3.512 -12.023) 16.701 12.107 ( -11.047 -3.512 12.023) 16.701 12.545 ( 7.586 1.162 -3.679) 8.510 12.545 ( 7.586 1.162 3.679) 8.510 12.725 ( -1.747 11.556 -4.337) 12.466 12.725 ( -1.747 11.556 4.337) 12.466 13.295 ( 4.126 10.838 -24.891) 27.460 13.295 ( 4.126 10.838 24.891) 27.460 13.631 ( -3.686 -2.035 -9.201) 10.118 13.631 ( -3.686 -2.035 9.201) 10.118 14.733 ( 9.799 4.958 -8.170) 13.687 14.733 ( 9.799 4.958 8.170) 13.687 15.313 ( -3.397 -3.609 -15.663) 16.429 15.313 ( -3.397 -3.609 15.663) 16.429 15.743 ( -0.069 -13.583 -8.641) 16.099 15.743 ( -0.069 -13.583 8.641) 16.099 15.803 ( -2.029 -10.928 -3.685) 11.710 15.803 ( -2.029 -10.928 3.685) 11.710 17.265 ( -0.613 8.076 -6.343) 10.287 17.265 ( -0.613 8.076 6.343) 10.287 17.285 ( -0.035 4.240 -5.344) 6.822 17.285 ( -0.035 4.240 5.344) 6.822 18.768 ( 2.326 -3.357 -25.748) 26.070 18.768 ( 2.326 -3.357 25.748) 26.070 19.574 ( -7.147 -18.785 -20.462) 28.682 19.574 ( -7.147 -18.785 20.462) 28.682 22.061 ( 3.124 0.680 -2.587) 4.113 22.061 ( 3.124 0.680 2.587) 4.113 22.400 ( -3.723 8.511 -1.419) 9.398 22.400 ( -3.723 8.511 1.419) 9.398 24.007 ( -0.470 -1.196 -1.889) 2.285 24.007 ( -0.470 -1.196 1.889) 2.285 24.353 ( 4.549 -15.545 -2.894) 16.453 24.353 ( 4.549 -15.545 2.894) 16.453 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 0.423 14.678 -3.828) 15.175 2.436 ( 0.423 14.678 3.828) 15.175 2.544 ( 3.523 11.700 -4.911) 13.169 2.544 ( 3.523 11.700 4.911) 13.169 2.756 ( -5.384 10.490 -4.346) 12.567 2.756 ( -5.384 10.490 4.346) 12.567 2.960 ( -3.430 12.887 -1.736) 13.448 2.960 ( -3.430 12.887 1.736) 13.448 3.350 ( 0.369 5.275 -1.881) 5.612 3.350 ( 0.369 5.275 1.881) 5.612 3.368 ( -0.872 7.562 -0.846) 7.659 3.368 ( -0.872 7.562 0.846) 7.659 3.733 ( 7.837 2.276 -1.930) 8.386 3.733 ( 7.837 2.276 1.930) 8.386 3.945 ( -6.550 6.694 -0.155) 9.366 3.945 ( -6.550 6.694 0.155) 9.366 4.252 ( 6.098 8.300 -2.771) 10.666 4.252 ( 6.098 8.300 2.771) 10.666 4.388 ( -0.871 8.897 -10.466) 13.764 4.388 ( -0.871 8.897 10.466) 13.764 4.738 ( 0.261 10.795 -7.341) 13.057 4.738 ( 0.261 10.795 7.341) 13.057 4.850 ( -1.224 6.560 -3.325) 7.456 4.850 ( -1.224 6.560 3.325) 7.456 5.807 ( 0.104 -0.563 -0.898) 1.065 5.807 ( 0.104 -0.563 0.898) 1.065 5.939 ( 0.162 -3.404 -0.433) 3.436 5.939 ( 0.162 -3.404 0.433) 3.436 6.957 ( 1.068 10.893 -1.871) 11.104 6.957 ( 1.068 10.893 1.871) 11.104 7.183 ( -0.360 3.017 -4.017) 5.037 7.183 ( -0.360 3.017 4.017) 5.037 7.289 ( 5.953 6.251 -3.123) 9.179 7.289 ( 5.953 6.251 3.123) 9.179 7.645 ( -3.072 14.932 -2.994) 15.536 7.645 ( -3.072 14.932 2.994) 15.536 7.908 ( 5.604 10.663 -8.478) 14.730 7.908 ( 5.604 10.663 8.478) 14.730 8.164 ( -7.565 8.002 -7.728) 13.453 8.164 ( -7.565 8.002 7.728) 13.453 8.806 ( 8.095 16.106 -2.320) 18.175 8.806 ( 8.095 16.106 2.320) 18.175 9.042 ( -2.667 8.257 -1.477) 8.802 9.042 ( -2.667 8.257 1.477) 8.802 9.471 ( 0.657 10.412 -1.238) 10.506 9.471 ( 0.657 10.412 1.238) 10.506 9.661 ( -2.831 12.246 -3.456) 13.035 9.661 ( -2.831 12.246 3.456) 13.035 10.078 ( 3.861 -1.868 -5.325) 6.837 10.078 ( 3.861 -1.868 5.325) 6.837 10.363 ( -7.204 7.403 -6.751) 12.340 10.363 ( -7.204 7.403 6.751) 12.340 10.498 ( 1.989 -15.694 -1.238) 15.868 10.498 ( 1.989 -15.694 1.238) 15.868 10.608 ( -3.339 -18.713 -1.132) 19.042 10.608 ( -3.339 -18.713 1.132) 19.042 10.789 ( 4.452 17.371 -2.452) 18.100 10.789 ( 4.452 17.371 2.452) 18.100 11.049 ( -3.971 7.264 -5.581) 9.984 11.049 ( -3.971 7.264 5.581) 9.984 11.695 ( 4.232 -2.332 -3.541) 5.991 11.695 ( 4.232 -2.332 3.541) 5.991 11.899 ( -8.969 -1.260 -8.096) 12.148 11.899 ( -8.969 -1.260 8.096) 12.148 12.658 ( 3.507 0.814 -3.680) 5.148 12.658 ( 3.507 0.814 3.680) 5.148 12.696 ( -1.111 9.646 -3.173) 10.215 12.696 ( -1.111 9.646 3.173) 10.215 13.375 ( 3.104 9.498 -11.701) 15.387 13.375 ( 3.104 9.498 11.701) 15.387 13.559 ( -2.833 -0.498 -6.827) 7.408 13.559 ( -2.833 -0.498 6.827) 7.408 14.954 ( 11.026 3.455 -9.745) 15.115 14.954 ( 11.026 3.455 9.745) 15.115 15.202 ( -7.550 -1.547 -12.476) 14.664 15.202 ( -7.550 -1.547 12.476) 14.664 15.745 ( 0.344 -13.017 -7.162) 14.861 15.745 ( 0.344 -13.017 7.162) 14.861 15.764 ( -1.567 -11.848 -5.642) 13.216 15.764 ( -1.567 -11.848 5.642) 13.216 17.255 ( -0.341 8.816 -2.197) 9.092 17.255 ( -0.341 8.816 2.197) 9.092 17.284 ( -0.067 3.308 -1.925) 3.829 17.284 ( -0.067 3.308 1.925) 3.829 18.817 ( 1.957 -4.232 -12.457) 13.301 18.817 ( 1.957 -4.232 12.457) 13.301 19.439 ( -4.776 -15.593 -10.904) 19.617 19.439 ( -4.776 -15.593 10.904) 19.617 22.135 ( 3.619 3.275 -2.246) 5.373 22.135 ( 3.619 3.275 2.246) 5.373 22.314 ( -3.999 7.293 -1.778) 8.505 22.314 ( -3.999 7.293 1.778) 8.505 24.003 ( -0.047 -3.521 -0.954) 3.648 24.003 ( -0.047 -3.521 0.954) 3.648 24.430 ( 2.457 -15.779 -1.005) 16.000 24.430 ( 2.457 -15.779 1.005) 16.000 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.677 ( 0.000 6.210 -1.080) 6.303 2.677 ( 0.000 6.210 1.080) 6.303 2.761 ( 0.000 15.666 -0.774) 15.685 2.761 ( 0.000 15.666 0.774) 15.685 3.081 ( 0.000 7.951 -2.310) 8.280 3.081 ( 0.000 7.951 2.310) 8.280 3.248 ( 0.000 -2.129 -5.014) 5.447 3.248 ( 0.000 -2.129 5.014) 5.447 3.303 ( 0.000 3.070 -2.873) 4.204 3.303 ( 0.000 3.070 2.873) 4.204 3.527 ( 0.000 5.406 -1.669) 5.658 3.527 ( 0.000 5.406 1.669) 5.658 3.629 ( 0.000 4.420 -0.922) 4.515 3.629 ( 0.000 4.420 0.922) 4.515 4.055 ( 0.000 -0.229 -5.814) 5.818 4.055 ( 0.000 -0.229 5.814) 5.818 4.293 ( 0.000 7.483 -2.203) 7.801 4.293 ( 0.000 7.483 2.203) 7.801 4.593 ( 0.000 8.947 -8.229) 12.156 4.593 ( 0.000 8.947 8.229) 12.156 4.931 ( 0.000 9.050 -8.141) 12.173 4.931 ( 0.000 9.050 8.141) 12.173 4.969 ( 0.000 5.564 -8.597) 10.240 4.969 ( 0.000 5.564 8.597) 10.240 5.873 ( 0.000 2.924 -6.736) 7.343 5.873 ( 0.000 2.924 6.736) 7.343 5.904 ( 0.000 0.869 -1.194) 1.477 5.904 ( 0.000 0.869 1.194) 1.477 6.986 ( 0.000 6.840 -4.612) 8.250 6.986 ( 0.000 6.840 4.612) 8.250 7.124 ( 0.000 5.667 -0.378) 5.680 7.124 ( 0.000 5.667 0.378) 5.680 7.493 ( 0.000 5.105 -10.610) 11.774 7.493 ( 0.000 5.105 10.610) 11.774 7.812 ( 0.000 6.732 -8.438) 10.794 7.812 ( 0.000 6.732 8.438) 10.794 8.064 ( 0.000 10.867 -15.316) 18.779 8.064 ( 0.000 10.867 15.316) 18.779 8.510 ( 0.000 1.953 -16.895) 17.007 8.510 ( 0.000 1.953 16.895) 17.007 8.723 ( 0.000 13.160 -7.435) 15.115 8.723 ( 0.000 13.160 7.435) 15.115 9.246 ( 0.000 7.624 -0.110) 7.625 9.246 ( 0.000 7.624 0.110) 7.625 9.530 ( 0.000 -0.397 -5.716) 5.730 9.530 ( 0.000 -0.397 5.716) 5.730 9.860 ( 0.000 -12.450 -1.846) 12.586 9.860 ( 0.000 -12.450 1.846) 12.586 9.886 ( 0.000 -14.214 -3.900) 14.739 9.886 ( 0.000 -14.214 3.900) 14.739 10.002 ( 0.000 -8.147 -6.742) 10.575 10.002 ( 0.000 -8.147 6.742) 10.575 10.624 ( 0.000 11.089 -0.436) 11.097 10.624 ( 0.000 11.089 0.436) 11.097 10.867 ( 0.000 8.106 -5.953) 10.057 10.867 ( 0.000 8.106 5.953) 10.057 11.034 ( 0.000 12.540 -4.962) 13.486 11.034 ( 0.000 12.540 4.962) 13.486 11.244 ( 0.000 9.512 -18.430) 20.740 11.244 ( 0.000 9.512 18.430) 20.740 11.834 ( 0.000 16.229 -5.984) 17.297 11.834 ( 0.000 16.229 5.984) 17.297 12.009 ( 0.000 -12.677 -14.192) 19.030 12.009 ( 0.000 -12.677 14.192) 19.030 12.561 ( 0.000 5.971 -5.672) 8.236 12.561 ( 0.000 5.971 5.672) 8.236 12.921 ( 0.000 5.312 -0.394) 5.327 12.921 ( 0.000 5.312 0.394) 5.327 13.457 ( 0.000 8.214 -21.180) 22.717 13.457 ( 0.000 8.214 21.180) 22.717 13.598 ( 0.000 -4.407 -4.644) 6.403 13.598 ( 0.000 -4.407 4.644) 6.403 14.775 ( 0.000 8.881 -4.196) 9.823 14.775 ( 0.000 8.881 4.196) 9.823 15.281 ( 0.000 -2.418 -16.931) 17.102 15.281 ( 0.000 -2.418 16.931) 17.102 15.490 ( 0.000 -10.440 -15.058) 18.324 15.490 ( 0.000 -10.440 15.058) 18.324 15.608 ( 0.000 -10.513 -1.796) 10.665 15.608 ( 0.000 -10.513 1.796) 10.665 17.375 ( 0.000 4.984 -0.776) 5.044 17.375 ( 0.000 4.984 0.776) 5.044 17.447 ( 0.000 7.496 -13.177) 15.160 17.447 ( 0.000 7.496 13.177) 15.160 18.719 ( 0.000 0.650 -19.672) 19.683 18.719 ( 0.000 0.650 19.672) 19.683 19.287 ( 0.000 -16.073 -19.517) 25.283 19.287 ( 0.000 -16.073 19.517) 25.283 21.988 ( 0.000 -2.757 -2.205) 3.530 21.988 ( 0.000 -2.757 2.205) 3.530 22.491 ( 0.000 -2.846 -2.029) 3.495 22.491 ( 0.000 -2.846 2.029) 3.495 23.994 ( 0.000 -4.910 -1.606) 5.166 23.994 ( 0.000 -4.910 1.606) 5.166 24.081 ( 0.000 -4.395 -0.019) 4.395 24.081 ( 0.000 -4.395 0.019) 4.395 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 0.323 6.415 -3.999) 7.567 2.680 ( 0.323 6.415 3.999) 7.567 2.758 ( -0.321 15.484 -1.696) 15.579 2.758 ( -0.321 15.484 1.696) 15.579 3.013 ( -4.780 6.196 -3.165) 8.441 3.013 ( -4.780 6.196 3.165) 8.441 3.227 ( -2.450 6.752 -3.655) 8.059 3.227 ( -2.450 6.752 3.655) 8.059 3.351 ( 3.715 -1.452 -1.197) 4.164 3.351 ( 3.715 -1.452 1.197) 4.164 3.519 ( -0.832 5.376 -1.875) 5.754 3.519 ( -0.832 5.376 1.875) 5.754 3.664 ( 3.789 3.877 -0.589) 5.453 3.664 ( 3.789 3.877 0.589) 5.453 4.075 ( -0.528 -3.438 -2.793) 4.460 4.075 ( -0.528 -3.438 2.793) 4.460 4.278 ( 1.072 8.943 -4.365) 10.009 4.278 ( 1.072 8.943 4.365) 10.009 4.586 ( -1.357 7.489 -9.498) 12.171 4.586 ( -1.357 7.489 9.498) 12.171 4.925 ( 0.412 9.675 -10.323) 14.154 4.925 ( 0.412 9.675 10.323) 14.154 5.002 ( 1.969 6.813 -4.459) 8.377 5.002 ( 1.969 6.813 4.459) 8.377 5.844 ( -2.151 2.326 -4.047) 5.139 5.844 ( -2.151 2.326 4.047) 5.139 5.903 ( -0.295 0.013 -1.606) 1.633 5.903 ( -0.295 0.013 1.606) 1.633 7.024 ( 3.789 5.713 -3.022) 7.491 7.024 ( 3.789 5.713 3.022) 7.491 7.213 ( 7.425 7.222 -4.801) 11.416 7.213 ( 7.425 7.222 4.801) 11.416 7.411 ( -5.807 4.584 -10.774) 13.070 7.411 ( -5.807 4.584 10.774) 13.070 7.854 ( 2.589 7.515 -8.555) 11.678 7.854 ( 2.589 7.515 8.555) 11.678 8.086 ( 1.667 10.859 -13.430) 17.352 8.086 ( 1.667 10.859 13.430) 17.352 8.425 ( -6.223 4.138 -16.792) 18.379 8.425 ( -6.223 4.138 16.792) 18.379 8.842 ( 9.115 10.176 -6.210) 15.007 8.842 ( 9.115 10.176 6.210) 15.007 9.243 ( -0.689 6.889 -3.243) 7.645 9.243 ( -0.689 6.889 3.243) 7.645 9.545 ( 2.205 -0.177 -3.871) 4.459 9.545 ( 2.205 -0.177 3.871) 4.459 9.800 ( -3.433 -8.134 -5.242) 10.268 9.800 ( -3.433 -8.134 5.242) 10.268 9.934 ( 2.962 -17.114 -4.426) 17.924 9.934 ( 2.962 -17.114 4.426) 17.924 10.037 ( 3.480 -5.754 -3.166) 7.433 10.037 ( 3.480 -5.754 3.166) 7.433 10.481 ( -11.750 7.580 -1.911) 14.113 10.481 ( -11.750 7.580 1.911) 14.113 10.806 ( -9.035 0.755 -5.887) 10.810 10.806 ( -9.035 0.755 5.887) 10.810 11.086 ( 6.292 21.874 -4.315) 23.167 11.086 ( 6.292 21.875 4.315) 23.167 11.293 ( 4.522 9.786 -17.011) 20.139 11.293 ( 4.522 9.786 17.011) 20.139 11.737 ( -7.193 7.531 -9.348) 13.994 11.737 ( -7.193 7.531 9.348) 13.994 11.995 ( -3.325 -3.507 -12.015) 12.950 11.995 ( -3.325 -3.507 12.015) 12.950 12.609 ( 4.605 4.524 -2.560) 6.944 12.609 ( 4.605 4.524 2.560) 6.944 12.885 ( -3.072 4.983 -1.058) 5.949 12.885 ( -3.072 4.983 1.058) 5.949 13.486 ( 2.441 7.473 -19.437) 20.967 13.486 ( 2.441 7.473 19.437) 20.967 13.591 ( -0.728 -2.578 -7.581) 8.040 13.591 ( -0.728 -2.578 7.581) 8.040 14.856 ( 7.698 7.407 -3.201) 11.152 14.856 ( 7.698 7.407 3.201) 11.152 15.266 ( -1.784 -1.546 -15.123) 15.307 15.266 ( -1.784 -1.546 15.123) 15.307 15.491 ( 0.132 -10.535 -13.724) 17.302 15.491 ( 0.132 -10.535 13.724) 17.302 15.580 ( -2.678 -10.813 -1.613) 11.256 15.580 ( -2.678 -10.813 1.613) 11.256 17.374 ( -0.070 5.015 -1.194) 5.155 17.374 ( -0.070 5.015 1.194) 5.155 17.439 ( -0.742 7.364 -11.055) 13.304 17.439 ( -0.742 7.364 11.055) 13.304 18.735 ( 1.533 0.247 -17.775) 17.843 18.735 ( 1.533 0.247 17.775) 17.843 19.243 ( -3.982 -14.436 -18.001) 23.416 19.243 ( -3.982 -14.436 18.001) 23.416 22.030 ( 4.135 -2.824 -2.379) 5.544 22.030 ( 4.135 -2.824 2.379) 5.544 22.445 ( -4.369 -2.952 -2.196) 5.712 22.445 ( -4.369 -2.952 2.196) 5.712 23.971 ( -1.316 -2.867 -1.027) 3.318 23.971 ( -1.316 -2.867 1.027) 3.318 24.131 ( 3.643 -7.026 -0.260) 7.919 24.131 ( 3.643 -7.026 0.260) 7.919 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 0.425 10.111 -3.818) 10.816 2.689 ( 0.425 10.111 3.818) 10.816 2.749 ( -0.497 10.214 -2.456) 10.516 2.749 ( -0.497 10.214 2.456) 10.516 2.944 ( -1.845 8.382 -1.686) 8.747 2.944 ( -1.845 8.382 1.686) 8.747 3.177 ( -1.826 8.778 -1.742) 9.134 3.177 ( -1.826 8.778 1.742) 9.134 3.408 ( 1.703 1.683 -1.268) 2.709 3.408 ( 1.703 1.683 1.268) 2.709 3.502 ( -0.684 4.023 -1.419) 4.321 3.502 ( -0.684 4.023 1.419) 4.321 3.767 ( 5.713 1.655 -0.487) 5.968 3.767 ( 5.713 1.655 0.487) 5.968 3.989 ( -5.980 -2.225 -1.042) 6.465 3.989 ( -5.980 -2.225 1.042) 6.465 4.381 ( 7.549 6.105 -1.335) 9.800 4.381 ( 7.549 6.105 1.335) 9.800 4.519 ( -5.544 5.382 -6.293) 9.965 4.519 ( -5.544 5.382 6.293) 9.965 4.953 ( 1.891 10.477 -6.284) 12.362 4.953 ( 1.891 10.477 6.284) 12.362 5.018 ( -0.370 8.862 -0.702) 8.897 5.018 ( -0.370 8.862 0.702) 8.897 5.811 ( -0.967 1.122 -1.194) 1.902 5.811 ( -0.967 1.122 1.194) 1.902 5.895 ( -0.374 -1.077 -0.567) 1.273 5.895 ( -0.374 -1.077 0.567) 1.273 7.118 ( 5.282 5.426 -4.342) 8.729 7.118 ( 5.282 5.426 4.342) 8.729 7.235 ( -5.171 3.948 -6.975) 9.539 7.235 ( -5.171 3.948 6.975) 9.539 7.433 ( 6.213 8.632 -2.470) 10.919 7.433 ( 6.213 8.632 2.470) 10.919 7.868 ( -1.156 7.767 -3.575) 8.628 7.868 ( -1.156 7.767 3.575) 8.628 8.123 ( 2.251 10.154 -11.342) 15.389 8.123 ( 2.251 10.154 11.342) 15.389 8.308 ( -4.886 5.723 -12.589) 14.667 8.308 ( -4.886 5.723 12.589) 14.667 9.023 ( 8.842 6.991 -3.554) 11.819 9.023 ( 8.842 6.991 3.554) 11.819 9.184 ( -5.699 5.065 -5.404) 9.345 9.184 ( -5.699 5.065 5.404) 9.345 9.615 ( 2.927 1.264 -1.408) 3.485 9.615 ( 2.927 1.264 1.408) 3.485 9.774 ( 1.307 -5.217 -7.076) 8.887 9.774 ( 1.307 -5.217 7.076) 8.887 10.007 ( 5.774 -12.341 -6.742) 15.202 10.007 ( 5.774 -12.341 6.742) 15.202 10.124 ( 3.249 -0.634 -4.042) 5.224 10.124 ( 3.249 -0.634 4.042) 5.224 10.232 ( -11.610 -3.131 -2.217) 12.228 10.232 ( -11.610 -3.131 2.217) 12.228 10.590 ( -9.366 0.261 -4.193) 10.265 10.590 ( -9.366 0.261 4.193) 10.265 11.231 ( 7.335 19.667 -1.507) 21.044 11.231 ( 7.335 19.667 1.507) 21.044 11.352 ( -0.960 20.401 -9.708) 22.613 11.352 ( -0.960 20.401 9.708) 22.613 11.641 ( -0.942 -3.649 -4.797) 6.100 11.641 ( -0.942 -3.649 4.797) 6.100 11.888 ( -5.598 2.102 -6.708) 8.986 11.888 ( -5.598 2.102 6.708) 8.986 12.709 ( 4.586 4.080 -0.845) 6.196 12.709 ( 4.586 4.080 0.845) 6.196 12.820 ( -3.305 3.788 -1.705) 5.308 12.820 ( -3.305 3.788 1.705) 5.308 13.534 ( 2.155 5.478 -15.729) 16.795 13.534 ( 2.155 5.478 15.729) 16.795 13.571 ( -1.283 0.832 -11.813) 11.912 13.571 ( -1.283 0.832 11.813) 11.912 15.036 ( 9.573 4.717 -4.310) 11.509 15.036 ( 9.573 4.717 4.310) 11.509 15.196 ( -5.827 0.995 -9.810) 11.453 15.196 ( -5.827 0.995 9.810) 11.453 15.497 ( 0.553 -10.904 -10.784) 15.346 15.497 ( 0.553 -10.904 10.784) 15.346 15.524 ( -2.355 -11.600 -5.299) 12.969 15.524 ( -2.355 -11.600 5.299) 12.969 17.373 ( -0.010 5.049 -0.911) 5.130 17.373 ( -0.010 5.049 0.911) 5.130 17.425 ( -0.500 7.171 -4.619) 8.545 17.425 ( -0.500 7.171 4.619) 8.545 18.767 ( 1.255 -0.589 -8.613) 8.724 18.767 ( 1.255 -0.589 8.613) 8.724 19.167 ( -2.711 -11.696 -8.898) 14.944 19.167 ( -2.711 -11.696 8.898) 14.944 22.128 ( 4.693 -2.740 -1.930) 5.767 22.128 ( 4.693 -2.740 1.930) 5.767 22.344 ( -4.842 -3.259 -1.847) 6.122 22.344 ( -4.842 -3.259 1.847) 6.122 23.955 ( -0.338 -1.606 -0.351) 1.678 23.955 ( -0.338 -1.606 0.351) 1.678 24.188 ( 1.738 -9.221 -0.128) 9.384 24.188 ( 1.738 -9.221 0.128) 9.384 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 0.000 1.547 -0.612) 1.664 2.743 ( 0.000 1.547 0.612) 1.664 3.020 ( 0.000 9.777 -2.379) 10.062 3.020 ( 0.000 9.777 2.379) 10.062 3.158 ( 0.000 0.193 -1.023) 1.041 3.158 ( 0.000 0.193 1.023) 1.041 3.211 ( 0.000 -0.973 -0.004) 0.973 3.211 ( 0.000 -0.973 0.004) 0.973 3.401 ( 0.000 6.788 -1.158) 6.886 3.401 ( 0.000 6.788 1.158) 6.886 3.598 ( 0.000 1.023 -0.932) 1.384 3.598 ( 0.000 1.023 0.932) 1.384 3.682 ( 0.000 1.096 -0.061) 1.098 3.682 ( 0.000 1.096 0.061) 1.098 3.997 ( 0.000 -3.822 -3.085) 4.911 3.997 ( 0.000 -3.822 3.085) 4.911 4.432 ( 0.000 5.640 -2.749) 6.275 4.432 ( 0.000 5.640 2.749) 6.275 4.719 ( 0.000 4.332 -3.456) 5.542 4.719 ( 0.000 4.332 3.456) 5.542 5.021 ( 0.000 2.451 -1.268) 2.759 5.021 ( 0.000 2.451 1.268) 2.759 5.114 ( 0.000 5.920 -0.822) 5.977 5.114 ( 0.000 5.920 0.822) 5.977 5.915 ( 0.000 2.243 -2.444) 3.318 5.915 ( 0.000 2.243 2.444) 3.318 5.946 ( 0.000 1.830 -0.917) 2.047 5.946 ( 0.000 1.830 0.917) 2.047 7.129 ( 0.000 6.352 -4.242) 7.638 7.129 ( 0.000 6.352 4.242) 7.638 7.235 ( 0.000 5.536 -0.856) 5.602 7.235 ( 0.000 5.536 0.856) 5.602 7.571 ( 0.000 2.998 -9.227) 9.702 7.571 ( 0.000 2.998 9.227) 9.702 7.892 ( 0.000 1.638 -7.062) 7.250 7.892 ( 0.000 1.638 7.062) 7.250 8.228 ( 0.000 5.533 -16.884) 17.767 8.228 ( 0.000 5.533 16.884) 17.767 8.503 ( 0.000 -1.740 -13.001) 13.117 8.503 ( 0.000 -1.740 13.001) 13.117 8.990 ( 0.000 12.915 -8.482) 15.451 8.990 ( 0.000 12.915 8.482) 15.451 9.267 ( 0.000 -3.111 -1.418) 3.419 9.267 ( 0.000 -3.111 1.418) 3.419 9.441 ( 0.000 -16.564 -8.277) 18.517 9.441 ( 0.000 -16.564 8.277) 18.517 9.584 ( 0.000 5.021 -12.814) 13.763 9.584 ( 0.000 5.021 12.814) 13.763 9.821 ( 0.000 -4.790 -6.930) 8.424 9.821 ( 0.000 -4.790 6.930) 8.424 9.873 ( 0.000 -3.763 -1.533) 4.063 9.873 ( 0.000 -3.763 1.533) 4.063 10.846 ( 0.000 9.691 -4.037) 10.498 10.846 ( 0.000 9.691 4.037) 10.498 10.914 ( 0.000 1.256 -5.490) 5.632 10.914 ( 0.000 1.256 5.490) 5.632 11.197 ( 0.000 0.435 -14.106) 14.112 11.197 ( 0.000 0.435 14.106) 14.112 11.472 ( 0.000 13.182 -3.194) 13.563 11.472 ( 0.000 13.182 3.194) 13.563 11.746 ( 0.000 -10.600 -7.839) 13.184 11.746 ( 0.000 -10.600 7.839) 13.184 12.235 ( 0.000 17.685 -2.958) 17.931 12.235 ( 0.000 17.685 2.958) 17.931 12.649 ( 0.000 2.932 -4.302) 5.207 12.649 ( 0.000 2.932 4.302) 5.207 12.985 ( 0.000 2.070 -1.329) 2.460 12.985 ( 0.000 2.070 1.329) 2.460 13.474 ( 0.000 -4.855 -0.346) 4.867 13.474 ( 0.000 -4.855 0.346) 4.867 13.579 ( 0.000 1.778 -10.476) 10.626 13.579 ( 0.000 1.778 10.476) 10.626 14.937 ( 0.000 5.972 -16.083) 17.156 14.937 ( 0.000 5.972 16.083) 17.156 15.203 ( 0.000 -4.414 -20.696) 21.161 15.203 ( 0.000 -4.414 20.696) 21.161 15.374 ( 0.000 -3.488 -15.838) 16.217 15.374 ( 0.000 -3.488 15.838) 16.217 15.466 ( 0.000 -2.359 -6.967) 7.356 15.466 ( 0.000 -2.359 6.967) 7.356 17.452 ( 0.000 2.662 -1.390) 3.003 17.452 ( 0.000 2.662 1.390) 3.003 17.558 ( 0.000 3.726 -8.675) 9.441 17.558 ( 0.000 3.726 8.675) 9.441 18.758 ( 0.000 2.637 -9.105) 9.480 18.758 ( 0.000 2.637 9.105) 9.480 19.040 ( 0.000 -8.917 -12.315) 15.204 19.040 ( 0.000 -8.917 12.315) 15.204 21.941 ( 0.000 -1.726 -1.340) 2.185 21.941 ( 0.000 -1.726 1.340) 2.185 22.387 ( 0.000 -5.938 -1.789) 6.202 22.387 ( 0.000 -5.938 1.789) 6.202 23.894 ( 0.000 -3.679 -0.907) 3.789 23.894 ( 0.000 -3.679 0.907) 3.789 24.047 ( 0.000 -0.882 -0.475) 1.002 24.047 ( 0.000 -0.882 0.475) 1.002 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 2.217 2.685 -2.798) 4.467 2.764 ( 2.217 2.685 2.798) 4.467 3.012 ( -2.113 9.356 -2.378) 9.882 3.012 ( -2.113 9.356 2.378) 9.882 3.094 ( -2.226 2.848 -1.790) 4.034 3.094 ( -2.226 2.848 1.790) 4.034 3.284 ( 4.040 -2.535 -3.054) 5.664 3.284 ( 4.040 -2.535 3.054) 5.664 3.379 ( -1.541 6.288 -0.776) 6.520 3.379 ( -1.541 6.288 0.776) 6.520 3.578 ( -2.023 0.104 -1.445) 2.488 3.578 ( -2.023 0.104 1.445) 2.488 3.715 ( 3.183 1.344 -0.702) 3.525 3.715 ( 3.183 1.344 0.702) 3.525 3.986 ( -1.710 -4.202 -2.427) 5.145 3.986 ( -1.710 -4.202 2.427) 5.145 4.427 ( 0.626 5.588 -2.822) 6.291 4.427 ( 0.626 5.588 2.822) 6.291 4.694 ( -2.783 3.845 -4.730) 6.701 4.694 ( -2.783 3.845 4.730) 6.701 5.059 ( 3.176 3.923 -6.909) 8.556 5.059 ( 3.176 3.923 6.909) 8.556 5.132 ( 1.713 5.544 -2.796) 6.441 5.132 ( 1.713 5.544 2.796) 6.441 5.891 ( -2.374 2.257 -2.694) 4.241 5.891 ( -2.374 2.257 2.694) 4.241 5.921 ( -1.934 1.147 -2.586) 3.427 5.921 ( -1.934 1.147 2.586) 3.427 7.127 ( 1.427 4.202 -1.806) 4.791 7.127 ( 1.427 4.202 1.806) 4.791 7.370 ( 9.578 8.058 -4.050) 13.156 7.370 ( 9.578 8.058 4.050) 13.156 7.478 ( -5.607 2.203 -8.883) 10.733 7.478 ( -5.607 2.203 8.883) 10.733 7.948 ( 3.182 2.196 -7.870) 8.768 7.948 ( 3.182 2.196 7.870) 8.768 8.240 ( 1.060 4.694 -16.489) 17.176 8.240 ( 1.060 4.694 16.489) 17.176 8.467 ( -3.685 0.416 -13.693) 14.187 8.467 ( -3.685 0.416 13.693) 14.187 9.041 ( 4.268 9.864 -7.343) 13.017 9.041 ( 4.268 9.864 7.343) 13.017 9.267 ( 0.015 -2.586 -2.626) 3.685 9.267 ( 0.015 -2.586 2.626) 3.685 9.457 ( 1.296 -15.146 -6.555) 16.554 9.457 ( 1.296 -15.146 6.555) 16.554 9.553 ( -1.749 0.203 -11.355) 11.491 9.553 ( -1.749 0.203 11.355) 11.491 9.841 ( 2.880 -2.222 -5.764) 6.816 9.841 ( 2.880 -2.222 5.764) 6.816 9.950 ( 7.019 -1.328 -1.459) 7.291 9.950 ( 7.019 -1.328 1.459) 7.291 10.681 ( -13.954 9.494 -4.984) 17.598 10.681 ( -13.954 9.494 4.984) 17.598 10.801 ( -10.899 -0.284 -6.374) 12.629 10.801 ( -10.899 -0.284 6.374) 12.629 11.271 ( 5.344 -0.684 -12.221) 13.355 11.271 ( 5.344 -0.684 12.221) 13.355 11.544 ( 6.038 12.848 -8.553) 16.574 11.544 ( 6.038 12.848 8.553) 16.574 11.698 ( -3.546 -5.848 -6.172) 9.212 11.698 ( -3.546 -5.848 6.172) 9.212 12.182 ( -5.540 14.159 -4.641) 15.897 12.182 ( -5.540 14.159 4.641) 15.897 12.695 ( 4.430 3.990 -2.819) 6.595 12.695 ( 4.430 3.990 2.819) 6.595 12.956 ( -2.625 2.935 -1.380) 4.172 12.956 ( -2.625 2.935 1.380) 4.172 13.506 ( 2.675 -4.206 -4.455) 6.685 13.506 ( 2.675 -4.206 4.455) 6.685 13.582 ( 0.220 1.318 -10.396) 10.482 13.582 ( 0.220 1.318 10.396) 10.482 14.988 ( 4.907 4.370 -14.334) 15.768 14.988 ( 4.907 4.370 14.334) 15.768 15.207 ( 0.272 -3.638 -17.939) 18.307 15.207 ( 0.272 -3.638 17.939) 18.307 15.367 ( -0.679 -4.181 -13.729) 14.367 15.367 ( -0.679 -4.181 13.729) 14.367 15.439 ( -2.681 -1.552 -5.216) 6.067 15.439 ( -2.681 -1.552 5.216) 6.067 17.454 ( 0.219 2.892 -0.968) 3.058 17.454 ( 0.219 2.892 0.968) 3.058 17.544 ( -1.269 3.331 -7.266) 8.093 17.544 ( -1.269 3.331 7.266) 8.093 18.769 ( 1.064 2.642 -8.441) 8.908 18.769 ( 1.064 2.642 8.441) 8.908 19.020 ( -1.776 -8.164 -11.085) 13.881 19.020 ( -1.776 -8.164 11.085) 13.881 21.979 ( 3.732 -1.999 -1.490) 4.488 21.979 ( 3.732 -1.999 1.490) 4.488 22.343 ( -4.237 -5.767 -1.805) 7.380 22.343 ( -4.237 -5.767 1.805) 7.380 23.910 ( 1.448 -2.609 -1.272) 3.244 23.910 ( 1.448 -2.609 1.272) 3.244 24.049 ( 0.144 -2.246 -0.989) 2.458 24.049 ( 0.144 -2.246 0.989) 2.458 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 4.320 4.780 -3.902) 7.532 2.829 ( 4.320 4.780 3.902) 7.532 2.926 ( -5.363 6.292 -3.675) 9.047 2.926 ( -5.363 6.292 3.675) 9.047 3.097 ( 0.973 7.921 -1.113) 8.058 3.097 ( 0.973 7.921 1.113) 8.058 3.300 ( -1.325 3.282 -1.544) 3.862 3.300 ( -1.325 3.282 1.544) 3.862 3.409 ( 3.793 -0.810 -1.756) 4.257 3.409 ( 3.793 -0.810 1.756) 4.257 3.522 ( -3.281 -1.700 -1.832) 4.124 3.522 ( -3.281 -1.700 1.832) 4.124 3.795 ( 4.666 0.845 -0.809) 4.810 3.795 ( 4.666 0.845 0.809) 4.810 3.917 ( -4.736 -3.313 -1.472) 5.964 3.917 ( -4.736 -3.313 1.472) 5.964 4.489 ( 5.439 4.301 -0.722) 6.972 4.489 ( 5.439 4.301 0.722) 6.972 4.607 ( -5.847 3.432 -2.875) 7.364 4.607 ( -5.847 3.432 2.875) 7.364 5.120 ( 2.442 6.053 -4.778) 8.089 5.120 ( 2.442 6.053 4.778) 8.089 5.160 ( 0.585 5.214 -1.869) 5.570 5.160 ( 0.585 5.214 1.869) 5.570 5.847 ( -1.446 2.143 -0.647) 2.665 5.847 ( -1.446 2.143 0.647) 2.665 5.888 ( -1.117 0.057 -1.101) 1.569 5.888 ( -1.117 0.057 1.101) 1.569 7.190 ( 4.590 2.597 -2.198) 5.714 7.190 ( 4.590 2.597 2.198) 5.714 7.310 ( -6.633 2.641 -4.155) 8.261 7.310 ( -6.633 2.641 4.155) 8.261 7.628 ( 9.810 10.392 -1.448) 14.364 7.628 ( 9.810 10.392 1.448) 14.364 7.960 ( -1.895 1.716 -3.168) 4.070 7.960 ( -1.895 1.716 3.168) 4.070 8.269 ( 2.066 4.078 -14.849) 15.537 8.269 ( 2.066 4.078 14.849) 15.537 8.371 ( -4.979 1.046 -13.357) 14.293 8.371 ( -4.979 1.046 13.357) 14.293 9.127 ( 4.205 4.312 -4.932) 7.784 9.127 ( 4.205 4.312 4.932) 7.784 9.237 ( -3.339 1.546 -3.629) 5.168 9.237 ( -3.339 1.546 3.629) 5.168 9.487 ( 1.398 -11.273 -4.052) 12.061 9.487 ( 1.398 -11.273 4.052) 12.061 9.545 ( 0.341 -9.157 -5.386) 10.629 9.545 ( 0.341 -9.157 5.386) 10.629 9.986 ( 12.326 2.150 -2.533) 12.765 9.986 ( 12.326 2.150 2.533) 12.765 10.102 ( 6.228 2.112 -1.915) 6.850 10.102 ( 6.228 2.112 1.915) 6.850 10.368 ( -16.191 8.523 -4.514) 18.845 10.368 ( -16.191 8.523 4.514) 18.845 10.564 ( -10.143 -1.946 -4.574) 11.296 10.564 ( -10.143 -1.946 4.574) 11.296 11.384 ( 6.140 -0.998 -10.716) 12.391 11.384 ( 6.140 -0.998 10.716) 12.391 11.532 ( -5.987 -4.175 -12.537) 14.507 11.532 ( -5.987 -4.175 12.537) 14.507 11.762 ( 7.862 15.720 -3.713) 17.964 11.762 ( 7.862 15.720 3.713) 17.964 12.038 ( -7.642 10.034 -4.048) 13.246 12.038 ( -7.642 10.034 4.048) 13.246 12.797 ( 5.377 4.442 -1.484) 7.131 12.797 ( 5.377 4.442 1.484) 7.131 12.891 ( -4.080 3.944 -1.334) 5.830 12.891 ( -4.080 3.944 1.334) 5.830 13.554 ( 1.719 -2.007 -6.472) 6.990 13.554 ( 1.719 -2.007 6.472) 6.990 13.583 ( -0.224 -0.455 -8.350) 8.366 13.583 ( -0.224 -0.455 8.350) 8.366 15.103 ( 5.807 0.679 -8.453) 10.278 15.103 ( 5.807 0.679 8.453) 10.278 15.199 ( -1.653 -2.002 -6.603) 7.095 15.199 ( -1.653 -2.002 6.603) 7.095 15.350 ( -0.976 -3.717 -9.379) 10.136 15.350 ( -0.976 -3.717 9.379) 10.136 15.382 ( -2.063 -1.055 -4.257) 4.846 15.382 ( -2.063 -1.055 4.257) 4.847 17.460 ( 0.319 3.571 -0.380) 3.605 17.460 ( 0.319 3.571 0.380) 3.605 17.518 ( -0.966 2.404 -3.183) 4.104 17.518 ( -0.966 2.404 3.183) 4.104 18.791 ( 0.864 2.702 -4.327) 5.174 18.791 ( 0.864 2.702 4.327) 5.174 18.985 ( -1.295 -7.036 -5.365) 8.942 18.985 ( -1.295 -7.036 5.365) 8.942 22.072 ( 4.945 -2.173 -1.411) 5.583 22.072 ( 4.945 -2.173 1.411) 5.583 22.241 ( -5.238 -5.749 -1.509) 7.922 22.241 ( -5.238 -5.749 1.509) 7.922 23.936 ( 0.903 -0.255 -0.803) 1.235 23.936 ( 0.903 -0.255 0.803) 1.235 24.051 ( 0.053 -5.065 -0.691) 5.112 24.051 ( 0.053 -5.065 0.691) 5.112 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 0.000 0.000 -0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 -0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 -0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 -0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 -0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 -0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 -0.000) 0.000 4.490 ( 0.000 0.000 -0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 -0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 -0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 -0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 -0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 -0.000 -0.000) 0.000 5.954 ( 0.000 0.000 -0.000) 0.000 7.193 ( 0.000 0.000 -0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 -0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.603 ( 0.000 0.000 -0.000) 0.000 7.603 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 -0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 -0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 -0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 9.166 ( 0.000 -0.000 -0.000) 0.000 9.166 ( 0.000 -0.000 0.000) 0.000 9.206 ( 0.000 0.000 -0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.629 ( 0.000 0.000 -0.000) 0.000 9.629 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 -0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.841 ( 0.000 -0.000 -0.000) 0.000 9.841 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 -0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 -0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.177 ( 0.000 0.000 -0.000) 0.000 11.177 ( 0.000 0.000 0.000) 0.000 11.621 ( 0.000 0.000 -0.001) 0.001 11.621 ( 0.000 0.000 0.001) 0.001 11.628 ( 0.000 -0.000 -0.001) 0.001 11.628 ( 0.000 -0.000 0.001) 0.001 12.417 ( 0.000 0.000 -0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.683 ( 0.000 0.000 -0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 13.007 ( 0.000 0.000 -0.000) 0.000 13.007 ( 0.000 0.000 -0.000) 0.000 13.415 ( 0.000 0.000 -0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 13.592 ( 0.000 0.000 0.000) 0.000 13.592 ( 0.000 0.000 0.000) 0.000 14.981 ( 0.000 -0.000 -0.001) 0.001 14.981 ( 0.000 0.000 0.001) 0.001 15.169 ( 0.000 0.000 -0.000) 0.001 15.169 ( 0.000 0.001 0.001) 0.001 15.330 ( 0.000 0.000 -0.001) 0.001 15.330 ( 0.000 0.000 0.000) 0.000 15.464 ( 0.000 0.000 -0.000) 0.000 15.464 ( 0.000 0.000 0.001) 0.001 17.478 ( 0.000 0.000 -0.000) 0.000 17.478 ( 0.000 0.000 0.000) 0.000 17.594 ( 0.000 0.000 0.000) 0.000 17.594 ( 0.000 0.000 0.000) 0.000 18.791 ( 0.000 0.000 -0.000) 0.000 18.791 ( 0.000 0.000 0.000) 0.000 18.948 ( 0.000 0.000 -0.000) 0.000 18.948 ( 0.000 0.000 0.000) 0.000 21.924 ( 0.000 0.000 0.000) 0.000 21.924 ( 0.000 0.000 0.000) 0.000 22.319 ( 0.000 0.000 -0.000) 0.000 22.319 ( 0.000 0.000 0.000) 0.000 23.858 ( 0.000 0.000 -0.000) 0.000 23.858 ( 0.000 0.000 0.000) 0.000 24.038 ( 0.000 0.000 0.000) 0.000 24.038 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 3.393 0.000 -0.000) 3.393 2.791 ( 3.393 0.000 0.000) 3.393 3.085 ( -4.728 0.000 0.000) 4.728 3.085 ( -4.728 0.000 0.000) 4.728 3.155 ( 3.056 0.000 -0.000) 3.056 3.155 ( 3.056 0.000 -0.000) 3.056 3.239 ( 2.374 0.000 -0.000) 2.374 3.239 ( 2.374 0.000 0.000) 2.374 3.495 ( -2.658 0.000 -0.000) 2.658 3.495 ( -2.658 0.000 0.000) 2.658 3.527 ( -2.765 -0.000 0.000) 2.765 3.527 ( -2.765 0.000 0.000) 2.765 3.727 ( 3.136 0.000 -0.000) 3.136 3.727 ( 3.136 0.000 0.000) 3.136 3.942 ( -1.513 0.000 -0.000) 1.513 3.942 ( -1.513 0.000 -0.000) 1.513 4.484 ( 0.315 0.000 -0.000) 0.315 4.484 ( 0.315 0.000 0.000) 0.315 4.734 ( -3.140 0.000 0.000) 3.140 4.734 ( -3.140 0.000 0.000) 3.140 5.096 ( 4.387 0.000 -0.000) 4.387 5.096 ( 4.387 0.000 0.000) 4.387 5.188 ( 1.543 0.000 -0.000) 1.543 5.188 ( 1.543 0.000 0.000) 1.543 5.920 ( -2.889 0.000 0.000) 2.889 5.920 ( -2.889 0.000 0.000) 2.889 5.931 ( -2.006 0.000 -0.000) 2.006 5.931 ( -2.006 0.000 0.000) 2.006 7.171 ( 0.320 0.000 -0.000) 0.320 7.171 ( 0.320 0.000 0.000) 0.320 7.472 ( 13.562 0.000 -0.000) 13.562 7.472 ( 13.562 0.000 0.000) 13.562 7.492 ( -8.481 -0.000 -0.000) 8.481 7.492 ( -8.481 -0.000 0.000) 8.481 7.963 ( 3.310 0.000 -0.000) 3.310 7.963 ( 3.310 0.000 0.000) 3.310 8.280 ( 0.166 0.000 -0.000) 0.166 8.280 ( 0.166 0.000 0.000) 0.166 8.466 ( -2.299 0.000 -0.000) 2.299 8.466 ( -2.299 0.000 0.000) 2.299 9.185 ( 1.623 -0.000 -0.000) 1.623 9.185 ( 1.623 -0.000 0.000) 1.623 9.217 ( 0.832 0.000 -0.000) 0.832 9.217 ( 0.832 0.000 0.000) 0.832 9.291 ( 2.370 0.000 0.000) 2.370 9.291 ( 2.370 0.000 0.000) 2.370 9.549 ( -5.765 0.000 0.000) 5.765 9.549 ( -5.765 0.000 -0.000) 5.765 9.803 ( 5.137 0.000 -0.000) 5.137 9.803 ( 5.137 0.000 0.000) 5.137 9.958 ( 9.481 0.000 -0.000) 9.481 9.958 ( 9.481 0.000 0.000) 9.481 10.790 ( -13.842 -0.000 -0.001) 13.842 10.790 ( -13.842 -0.000 0.001) 13.842 10.795 ( -12.733 0.000 -0.001) 12.733 10.795 ( -12.733 0.000 0.001) 12.733 11.248 ( 5.052 0.000 -0.000) 5.052 11.248 ( 5.052 0.000 0.000) 5.052 11.581 ( -3.960 0.000 -0.000) 3.960 11.581 ( -3.960 0.000 0.000) 3.960 11.727 ( 8.936 0.000 -0.000) 8.936 11.727 ( 8.936 0.000 0.000) 8.936 12.327 ( -7.869 0.000 -0.000) 7.869 12.327 ( -7.869 0.000 0.000) 7.869 12.748 ( 5.267 0.000 -0.000) 5.267 12.748 ( 5.267 0.000 0.000) 5.267 12.991 ( -1.675 0.000 -0.000) 1.675 12.991 ( -1.675 0.000 -0.000) 1.675 13.452 ( 3.322 0.000 -0.000) 3.322 13.452 ( 3.322 0.000 0.000) 3.322 13.588 ( -0.450 0.000 0.000) 0.450 13.588 ( -0.450 -0.000 0.000) 0.450 15.013 ( 3.037 0.000 -0.001) 3.037 15.013 ( 3.037 0.000 0.001) 3.037 15.180 ( 0.655 0.000 -0.000) 0.655 15.180 ( 0.655 0.000 0.001) 0.655 15.321 ( -0.551 0.000 -0.001) 0.551 15.321 ( -0.551 0.000 0.000) 0.551 15.445 ( -1.938 0.000 -0.000) 1.938 15.445 ( -1.938 0.000 0.001) 1.938 17.483 ( 0.540 0.000 -0.000) 0.540 17.483 ( 0.540 0.000 0.000) 0.540 17.575 ( -1.765 0.000 0.000) 1.765 17.575 ( -1.765 0.000 0.000) 1.765 18.807 ( 1.496 0.000 -0.000) 1.496 18.807 ( 1.496 0.000 0.000) 1.496 18.933 ( -1.523 0.000 -0.000) 1.523 18.933 ( -1.523 0.000 0.000) 1.523 21.959 ( 3.500 0.000 0.000) 3.500 21.959 ( 3.500 0.000 0.000) 3.500 22.277 ( -4.080 0.000 -0.000) 4.080 22.277 ( -4.080 0.000 0.000) 4.080 23.883 ( 2.410 0.000 -0.000) 2.410 23.883 ( 2.410 0.000 0.000) 2.410 24.027 ( -1.079 0.000 0.000) 1.079 24.027 ( -1.079 0.000 0.000) 1.079 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 5.177 0.000 -0.000) 5.177 2.877 ( 5.177 0.000 0.000) 5.177 2.983 ( -5.491 0.000 0.000) 5.491 2.983 ( -5.491 0.000 0.000) 5.491 3.232 ( 4.146 0.000 -0.000) 4.146 3.232 ( 4.146 0.000 0.000) 4.146 3.273 ( 0.500 -0.000 0.000) 0.500 3.273 ( 0.500 0.000 -0.000) 0.500 3.445 ( -1.737 0.000 0.000) 1.737 3.445 ( -1.737 0.000 0.000) 1.737 3.459 ( -3.239 -0.000 -0.000) 3.239 3.459 ( -3.239 0.000 0.000) 3.239 3.801 ( 4.309 0.000 -0.000) 4.309 3.801 ( 4.309 0.000 0.000) 4.309 3.886 ( -4.029 0.000 -0.000) 4.029 3.886 ( -4.029 0.000 0.000) 4.029 4.533 ( 4.705 0.000 -0.000) 4.705 4.533 ( 4.705 0.000 0.000) 4.705 4.643 ( -5.776 0.000 -0.000) 5.776 4.643 ( -5.776 0.000 0.000) 5.776 5.180 ( 3.487 0.000 -0.000) 3.487 5.180 ( 3.487 0.000 0.000) 3.487 5.213 ( 0.235 0.000 -0.000) 0.235 5.213 ( 0.235 0.000 0.000) 0.235 5.875 ( -1.034 0.000 -0.000) 1.034 5.875 ( -1.034 0.000 -0.000) 1.034 5.887 ( -1.971 0.000 -0.000) 1.971 5.887 ( -1.971 0.000 0.000) 1.971 7.218 ( 4.351 0.000 -0.000) 4.351 7.218 ( 4.351 0.000 0.000) 4.351 7.333 ( -7.240 0.000 -0.000) 7.240 7.333 ( -7.240 0.000 0.000) 7.240 7.761 ( 14.321 0.000 -0.000) 14.321 7.761 ( 14.321 0.000 0.000) 14.321 7.959 ( -4.835 0.000 -0.000) 4.835 7.959 ( -4.835 0.000 0.000) 4.835 8.297 ( 2.025 0.000 -0.000) 2.025 8.297 ( 2.025 0.000 0.000) 2.025 8.377 ( -5.817 0.000 -0.000) 5.817 8.377 ( -5.817 0.000 0.000) 5.817 9.213 ( 1.188 -0.000 -0.000) 1.188 9.213 ( 1.188 -0.000 0.000) 1.188 9.227 ( -0.044 0.000 -0.000) 0.044 9.227 ( -0.044 0.000 0.000) 0.044 9.361 ( 4.164 0.000 0.000) 4.164 9.361 ( 4.164 0.000 0.000) 4.164 9.445 ( -4.678 0.000 -0.000) 4.678 9.445 ( -4.678 0.000 0.000) 4.678 9.996 ( 14.219 0.000 -0.000) 14.219 9.996 ( 14.219 0.000 0.000) 14.219 10.148 ( 6.747 0.000 -0.000) 6.747 10.148 ( 6.747 0.000 0.000) 6.747 10.473 ( -13.960 0.000 -0.000) 13.960 10.473 ( -13.960 -0.000 0.000) 13.960 10.529 ( -13.054 0.000 -0.000) 13.054 10.529 ( -13.054 0.000 0.000) 13.054 11.356 ( 6.044 0.000 -0.000) 6.044 11.356 ( 6.044 0.000 0.000) 6.044 11.478 ( -6.171 0.000 -0.000) 6.171 11.478 ( -6.171 0.000 0.000) 6.171 11.931 ( 11.153 0.000 -0.000) 11.153 11.931 ( 11.153 0.000 0.000) 11.153 12.144 ( -10.447 0.000 -0.000) 10.447 12.144 ( -10.447 0.000 0.000) 10.447 12.854 ( 5.186 0.000 -0.000) 5.186 12.854 ( 5.186 0.000 0.000) 5.186 12.940 ( -3.532 0.000 -0.000) 3.532 12.940 ( -3.532 0.000 -0.000) 3.532 13.521 ( 3.234 0.000 -0.000) 3.234 13.521 ( 3.234 0.000 0.000) 3.234 13.569 ( -1.652 0.000 -0.000) 1.652 13.569 ( -1.652 -0.000 0.000) 1.652 15.089 ( 4.378 0.000 -0.001) 4.378 15.089 ( 4.378 0.000 0.001) 4.378 15.164 ( -2.698 0.000 -0.001) 2.698 15.164 ( -2.698 0.000 0.000) 2.698 15.334 ( 2.263 0.000 -0.001) 2.263 15.334 ( 2.263 0.000 0.001) 2.263 15.393 ( -3.191 0.000 -0.000) 3.191 15.393 ( -3.191 0.000 0.001) 3.191 17.501 ( 1.348 0.000 -0.000) 1.348 17.501 ( 1.348 0.000 0.000) 1.348 17.535 ( -2.092 0.000 0.000) 2.092 17.535 ( -2.092 0.000 0.000) 2.092 18.846 ( 2.363 0.000 -0.000) 2.363 18.846 ( 2.363 0.000 0.000) 2.363 18.893 ( -2.388 0.000 -0.000) 2.388 18.893 ( -2.388 0.000 0.000) 2.388 22.053 ( 5.811 0.000 0.000) 5.811 22.053 ( 5.811 0.000 0.000) 5.811 22.173 ( -6.149 0.000 -0.000) 6.149 22.173 ( -6.149 0.000 0.000) 6.149 23.940 ( 3.100 0.000 -0.000) 3.100 23.940 ( 3.100 0.000 0.000) 3.100 23.994 ( -2.300 0.000 0.000) 2.300 23.994 ( -2.300 0.000 0.000) 2.300 =================== 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 3/26880 10.0 5285.991 6369.865 3131.841 0.000 0.000 -0.000 3/26880 20.0 843.582 1337.309 795.464 0.000 0.000 -0.000 3/26880 30.0 264.734 491.646 289.974 0.000 0.000 -0.000 3/26880 40.0 125.711 248.480 143.392 0.000 0.000 -0.000 3/26880 50.0 74.132 150.304 85.448 0.000 0.000 -0.000 3/26880 60.0 49.495 101.602 57.149 0.000 0.000 -0.000 3/26880 70.0 35.798 74.057 41.286 0.000 0.000 -0.000 3/26880 80.0 27.391 57.003 31.523 0.000 0.000 -0.000 3/26880 90.0 21.857 45.716 25.094 0.000 0.000 -0.000 3/26880 100.0 18.016 37.850 20.637 0.000 0.000 -0.000 3/26880 110.0 15.235 32.137 17.417 0.000 0.000 -0.000 3/26880 120.0 13.152 27.845 15.011 0.000 0.000 -0.000 3/26880 130.0 11.546 24.527 13.163 0.000 0.000 -0.000 3/26880 140.0 10.278 21.901 11.708 0.000 0.000 -0.000 3/26880 150.0 9.256 19.778 10.538 0.000 0.000 -0.000 3/26880 160.0 8.416 18.033 9.582 0.000 0.000 -0.000 3/26880 170.0 7.717 16.575 8.787 0.000 0.000 -0.000 3/26880 180.0 7.126 15.341 8.117 0.000 0.000 -0.000 3/26880 190.0 6.620 14.284 7.545 0.000 0.000 -0.000 3/26880 200.0 6.183 13.370 7.052 0.000 0.000 -0.000 3/26880 210.0 5.802 12.570 6.622 0.000 0.000 -0.000 3/26880 220.0 5.467 11.866 6.244 0.000 0.000 -0.000 3/26880 230.0 5.170 11.241 5.910 0.000 0.000 -0.000 3/26880 240.0 4.904 10.682 5.611 0.000 0.000 -0.000 3/26880 250.0 4.666 10.179 5.343 0.000 0.000 -0.000 3/26880 260.0 4.451 9.725 5.101 0.000 0.000 -0.000 3/26880 270.0 4.256 9.311 4.881 0.000 0.000 -0.000 3/26880 280.0 4.078 8.934 4.681 0.000 0.000 -0.000 3/26880 290.0 3.915 8.588 4.497 0.000 0.000 -0.000 3/26880 300.0 3.765 8.269 4.328 0.000 0.000 -0.000 3/26880 310.0 3.626 7.975 4.172 0.000 0.000 -0.000 3/26880 320.0 3.498 7.702 4.027 0.000 0.000 -0.000 3/26880 330.0 3.379 7.448 3.893 0.000 0.000 -0.000 3/26880 340.0 3.269 7.211 3.768 0.000 0.000 -0.000 3/26880 350.0 3.165 6.989 3.650 0.000 0.000 -0.000 3/26880 360.0 3.069 6.782 3.541 0.000 0.000 -0.000 3/26880 370.0 2.978 6.587 3.438 0.000 0.000 -0.000 3/26880 380.0 2.892 6.403 3.341 0.000 0.000 -0.000 3/26880 390.0 2.812 6.230 3.249 0.000 0.000 -0.000 3/26880 400.0 2.736 6.066 3.163 0.000 0.000 -0.000 3/26880 410.0 2.664 5.911 3.081 0.000 0.000 -0.000 3/26880 420.0 2.596 5.764 3.004 0.000 0.000 -0.000 3/26880 430.0 2.532 5.625 2.930 0.000 0.000 -0.000 3/26880 440.0 2.471 5.492 2.860 0.000 0.000 -0.000 3/26880 450.0 2.412 5.365 2.794 0.000 0.000 -0.000 3/26880 460.0 2.357 5.245 2.730 0.000 0.000 -0.000 3/26880 470.0 2.304 5.130 2.670 0.000 0.000 -0.000 3/26880 480.0 2.254 5.020 2.612 0.000 0.000 -0.000 3/26880 490.0 2.205 4.914 2.557 0.000 0.000 -0.000 3/26880 500.0 2.159 4.814 2.504 0.000 0.000 -0.000 3/26880 510.0 2.115 4.717 2.453 0.000 0.000 -0.000 3/26880 520.0 2.072 4.624 2.404 0.000 0.000 -0.000 3/26880 530.0 2.032 4.535 2.357 0.000 0.000 -0.000 3/26880 540.0 1.992 4.449 2.312 0.000 0.000 -0.000 3/26880 550.0 1.955 4.367 2.269 0.000 0.000 -0.000 3/26880 560.0 1.919 4.288 2.228 0.000 0.000 -0.000 3/26880 570.0 1.884 4.211 2.187 0.000 0.000 -0.000 3/26880 580.0 1.850 4.137 2.149 0.000 0.000 -0.000 3/26880 590.0 1.818 4.066 2.111 0.000 0.000 -0.000 3/26880 600.0 1.787 3.997 2.075 0.000 0.000 -0.000 3/26880 610.0 1.756 3.931 2.041 0.000 0.000 -0.000 3/26880 620.0 1.727 3.867 2.007 0.000 0.000 -0.000 3/26880 630.0 1.699 3.804 1.975 0.000 0.000 -0.000 3/26880 640.0 1.672 3.744 1.943 0.000 0.000 -0.000 3/26880 650.0 1.645 3.686 1.913 0.000 0.000 -0.000 3/26880 660.0 1.620 3.630 1.883 0.000 0.000 -0.000 3/26880 670.0 1.595 3.575 1.855 0.000 0.000 -0.000 3/26880 680.0 1.571 3.522 1.827 0.000 0.000 -0.000 3/26880 690.0 1.548 3.470 1.800 0.000 0.000 -0.000 3/26880 700.0 1.525 3.420 1.774 0.000 0.000 -0.000 3/26880 710.0 1.503 3.372 1.748 0.000 0.000 -0.000 3/26880 720.0 1.482 3.325 1.724 0.000 0.000 -0.000 3/26880 730.0 1.461 3.279 1.700 0.000 0.000 -0.000 3/26880 740.0 1.441 3.234 1.677 0.000 0.000 -0.000 3/26880 750.0 1.421 3.191 1.654 0.000 0.000 -0.000 3/26880 760.0 1.402 3.148 1.632 0.000 0.000 -0.000 3/26880 770.0 1.384 3.107 1.610 0.000 0.000 -0.000 3/26880 780.0 1.366 3.067 1.590 0.000 0.000 -0.000 3/26880 790.0 1.348 3.028 1.569 0.000 0.000 -0.000 3/26880 800.0 1.331 2.990 1.549 0.000 0.000 -0.000 3/26880 810.0 1.314 2.953 1.530 0.000 0.000 -0.000 3/26880 820.0 1.298 2.917 1.511 0.000 0.000 -0.000 3/26880 830.0 1.282 2.881 1.493 0.000 0.000 -0.000 3/26880 840.0 1.267 2.847 1.475 0.000 0.000 -0.000 3/26880 850.0 1.252 2.813 1.457 0.000 0.000 -0.000 3/26880 860.0 1.237 2.780 1.440 0.000 0.000 -0.000 3/26880 870.0 1.223 2.748 1.423 0.000 0.000 -0.000 3/26880 880.0 1.208 2.717 1.407 0.000 0.000 -0.000 3/26880 890.0 1.195 2.686 1.391 0.000 0.000 -0.000 3/26880 900.0 1.181 2.656 1.376 0.000 0.000 -0.000 3/26880 910.0 1.168 2.627 1.360 0.000 0.000 -0.000 3/26880 920.0 1.155 2.598 1.345 0.000 0.000 -0.000 3/26880 930.0 1.143 2.570 1.331 0.000 0.000 -0.000 3/26880 940.0 1.130 2.543 1.317 0.000 0.000 -0.000 3/26880 950.0 1.118 2.516 1.303 0.000 0.000 -0.000 3/26880 960.0 1.107 2.490 1.289 0.000 0.000 -0.000 3/26880 970.0 1.095 2.464 1.276 0.000 0.000 -0.000 3/26880 980.0 1.084 2.439 1.262 0.000 0.000 -0.000 3/26880 990.0 1.073 2.414 1.250 0.000 0.000 -0.000 3/26880 1000.0 1.062 2.390 1.237 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:15:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|