----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:45:34]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.976248671628841 0.000000000000000 0.000000000000000 b 0.000000000000000 6.736502519999999 0.000000000000000 c -1.691556046731000 0.000000000000000 6.387840064503050 Atomic positions (fractional): *1 O 0.11258221537936 0.11846629858520 0.93559191615535 15.999 2 O 0.88741778462064 0.61846629858520 0.56440808384465 15.999 3 O 0.88741778462064 0.88153370141480 0.06440808384465 15.999 4 O 0.11258221537936 0.38153370141479 0.43559191615535 15.999 *5 O 0.39531216737385 0.70906115880285 0.51290968561556 15.999 6 O 0.60468783262615 0.20906115880285 0.98709031438444 15.999 7 O 0.60468783262615 0.29093884119715 0.48709031438444 15.999 8 O 0.39531216737385 0.79093884119715 0.01290968561556 15.999 *9 O 0.11246303419245 0.86235931767834 0.48817776236273 15.999 10 O 0.88753696580755 0.36235931767834 0.01182223763727 15.999 11 O 0.88753696580755 0.13764068232166 0.51182223763727 15.999 12 O 0.11246303419245 0.63764068232166 0.98817776236273 15.999 *13 O 0.28982663140415 0.42887428200186 0.82844407545150 15.999 14 O 0.71017336859585 0.92887428200186 0.67155592454850 15.999 15 O 0.71017336859585 0.57112571799814 0.17155592454850 15.999 16 O 0.28982663140415 0.07112571799814 0.32844407545150 15.999 *17 O 0.37360412745866 0.44425510909993 0.21692820458011 15.999 18 O 0.62639587254134 0.94425510909994 0.28307179541989 15.999 19 O 0.62639587254134 0.55574489090006 0.78307179541989 15.999 20 O 0.37360412745866 0.05574489090007 0.71692820458011 15.999 *21 Si 0.29909339713011 0.90844575236857 0.52106918270399 28.085 22 Si 0.70090660286989 0.40844575236857 0.97893081729601 28.085 23 Si 0.70090660286989 0.09155424763143 0.47893081729601 28.085 24 Si 0.29909339713011 0.59155424763143 0.02106918270399 28.085 *25 Er 0.97025385394916 0.87616759845601 0.76817706412318 167.259 26 Er 0.02974614605084 0.37616759845601 0.73182293587682 167.259 27 Er 0.02974614605084 0.12383240154399 0.23182293587682 167.259 28 Er 0.97025385394916 0.62383240154399 0.26817706412318 167.259 *29 Er 0.36900776751212 0.36049849399027 0.54546000015444 167.259 30 Er 0.63099223248788 0.86049849399027 0.95453999984556 167.259 31 Er 0.63099223248788 0.63950150600973 0.45453999984555 167.259 32 Er 0.36900776751212 0.13950150600973 0.04546000015444 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.976248671628841 0.000000000000000 0.000000000000000 b 0.000000000000000 6.736502519999999 0.000000000000000 c -1.691556046731000 0.000000000000000 6.387840064503050 Atomic positions (fractional): *1 O 0.11258221537936 0.11846629858520 0.93559191615535 15.999 > 1 2 O 0.88741778462064 0.61846629858520 0.56440808384465 15.999 > 2 3 O 0.88741778462064 0.88153370141480 0.06440808384465 15.999 > 3 4 O 0.11258221537936 0.38153370141479 0.43559191615535 15.999 > 4 *5 O 0.39531216737385 0.70906115880285 0.51290968561556 15.999 > 5 6 O 0.60468783262615 0.20906115880285 0.98709031438444 15.999 > 6 7 O 0.60468783262615 0.29093884119715 0.48709031438444 15.999 > 7 8 O 0.39531216737385 0.79093884119715 0.01290968561556 15.999 > 8 *9 O 0.11246303419245 0.86235931767834 0.48817776236273 15.999 > 9 10 O 0.88753696580755 0.36235931767834 0.01182223763727 15.999 > 10 11 O 0.88753696580755 0.13764068232166 0.51182223763727 15.999 > 11 12 O 0.11246303419245 0.63764068232166 0.98817776236273 15.999 > 12 *13 O 0.28982663140415 0.42887428200186 0.82844407545150 15.999 > 13 14 O 0.71017336859585 0.92887428200186 0.67155592454850 15.999 > 14 15 O 0.71017336859585 0.57112571799814 0.17155592454850 15.999 > 15 16 O 0.28982663140415 0.07112571799814 0.32844407545150 15.999 > 16 *17 O 0.37360412745866 0.44425510909993 0.21692820458011 15.999 > 17 18 O 0.62639587254134 0.94425510909994 0.28307179541989 15.999 > 18 19 O 0.62639587254134 0.55574489090006 0.78307179541989 15.999 > 19 20 O 0.37360412745866 0.05574489090007 0.71692820458011 15.999 > 20 *21 Si 0.29909339713011 0.90844575236857 0.52106918270399 28.085 > 21 22 Si 0.70090660286989 0.40844575236857 0.97893081729601 28.085 > 22 23 Si 0.70090660286989 0.09155424763143 0.47893081729601 28.085 > 23 24 Si 0.29909339713011 0.59155424763143 0.02106918270399 28.085 > 24 *25 Er 0.97025385394916 0.87616759845601 0.76817706412318 167.259 > 25 26 Er 0.02974614605084 0.37616759845601 0.73182293587682 167.259 > 26 27 Er 0.02974614605084 0.12383240154399 0.23182293587682 167.259 > 27 28 Er 0.97025385394916 0.62383240154399 0.26817706412318 167.259 > 28 *29 Er 0.36900776751212 0.36049849399027 0.54546000015444 167.259 > 29 30 Er 0.63099223248788 0.86049849399027 0.95453999984556 167.259 > 30 31 Er 0.63099223248788 0.63950150600973 0.45453999984555 167.259 > 31 32 Er 0.36900776751212 0.13950150600973 0.04546000015444 167.259 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.976248671628841 0.000000000000000 0.000000000000000 b 0.000000000000000 13.473005039999999 0.000000000000000 c -3.383112093462000 0.000000000000000 12.775680129006100 Atomic positions (fractional): *1 O 0.11258221537936 0.05923314929260 0.46779595807767 15.999 > 1 2 O 0.11258221537936 0.55923314929260 0.46779595807767 15.999 > 1 3 O 0.11258221537936 0.05923314929260 0.96779595807767 15.999 > 1 4 O 0.11258221537936 0.55923314929260 0.96779595807767 15.999 > 1 5 O 0.88741778462064 0.30923314929260 0.28220404192233 15.999 > 2 6 O 0.88741778462064 0.80923314929260 0.28220404192233 15.999 > 2 7 O 0.88741778462064 0.30923314929260 0.78220404192233 15.999 > 2 8 O 0.88741778462064 0.80923314929260 0.78220404192233 15.999 > 2 9 O 0.88741778462064 0.44076685070740 0.03220404192233 15.999 > 3 10 O 0.88741778462064 0.94076685070740 0.03220404192233 15.999 > 3 11 O 0.88741778462064 0.44076685070740 0.53220404192233 15.999 > 3 12 O 0.88741778462064 0.94076685070740 0.53220404192233 15.999 > 3 13 O 0.11258221537936 0.19076685070740 0.21779595807767 15.999 > 4 14 O 0.11258221537936 0.69076685070740 0.21779595807767 15.999 > 4 15 O 0.11258221537936 0.19076685070740 0.71779595807767 15.999 > 4 16 O 0.11258221537936 0.69076685070740 0.71779595807767 15.999 > 4 *17 O 0.39531216737385 0.35453057940143 0.25645484280778 15.999 > 5 18 O 0.39531216737385 0.85453057940143 0.25645484280778 15.999 > 5 19 O 0.39531216737385 0.35453057940143 0.75645484280778 15.999 > 5 20 O 0.39531216737385 0.85453057940143 0.75645484280778 15.999 > 5 21 O 0.60468783262615 0.10453057940143 0.49354515719222 15.999 > 6 22 O 0.60468783262615 0.60453057940143 0.49354515719222 15.999 > 6 23 O 0.60468783262615 0.10453057940143 0.99354515719222 15.999 > 6 24 O 0.60468783262615 0.60453057940143 0.99354515719222 15.999 > 6 25 O 0.60468783262615 0.14546942059857 0.24354515719222 15.999 > 7 26 O 0.60468783262615 0.64546942059857 0.24354515719222 15.999 > 7 27 O 0.60468783262615 0.14546942059857 0.74354515719222 15.999 > 7 28 O 0.60468783262615 0.64546942059857 0.74354515719222 15.999 > 7 29 O 0.39531216737385 0.39546942059857 0.00645484280778 15.999 > 8 30 O 0.39531216737385 0.89546942059857 0.00645484280778 15.999 > 8 31 O 0.39531216737385 0.39546942059857 0.50645484280778 15.999 > 8 32 O 0.39531216737385 0.89546942059857 0.50645484280778 15.999 > 8 *33 O 0.11246303419245 0.43117965883917 0.24408888118137 15.999 > 9 34 O 0.11246303419245 0.93117965883917 0.24408888118137 15.999 > 9 35 O 0.11246303419245 0.43117965883917 0.74408888118137 15.999 > 9 36 O 0.11246303419245 0.93117965883917 0.74408888118137 15.999 > 9 37 O 0.88753696580755 0.18117965883917 0.00591111881863 15.999 > 10 38 O 0.88753696580755 0.68117965883917 0.00591111881863 15.999 > 10 39 O 0.88753696580755 0.18117965883917 0.50591111881863 15.999 > 10 40 O 0.88753696580755 0.68117965883917 0.50591111881863 15.999 > 10 41 O 0.88753696580755 0.06882034116083 0.25591111881863 15.999 > 11 42 O 0.88753696580755 0.56882034116083 0.25591111881863 15.999 > 11 43 O 0.88753696580755 0.06882034116083 0.75591111881863 15.999 > 11 44 O 0.88753696580755 0.56882034116083 0.75591111881863 15.999 > 11 45 O 0.11246303419245 0.31882034116083 0.49408888118137 15.999 > 12 46 O 0.11246303419245 0.81882034116083 0.49408888118137 15.999 > 12 47 O 0.11246303419245 0.31882034116083 0.99408888118137 15.999 > 12 48 O 0.11246303419245 0.81882034116083 0.99408888118137 15.999 > 12 *49 O 0.28982663140415 0.21443714100093 0.41422203772575 15.999 > 13 50 O 0.28982663140415 0.71443714100093 0.41422203772575 15.999 > 13 51 O 0.28982663140415 0.21443714100093 0.91422203772575 15.999 > 13 52 O 0.28982663140415 0.71443714100093 0.91422203772575 15.999 > 13 53 O 0.71017336859585 0.46443714100093 0.33577796227425 15.999 > 14 54 O 0.71017336859585 0.96443714100093 0.33577796227425 15.999 > 14 55 O 0.71017336859585 0.46443714100093 0.83577796227425 15.999 > 14 56 O 0.71017336859585 0.96443714100093 0.83577796227425 15.999 > 14 57 O 0.71017336859585 0.28556285899907 0.08577796227425 15.999 > 15 58 O 0.71017336859585 0.78556285899907 0.08577796227425 15.999 > 15 59 O 0.71017336859585 0.28556285899907 0.58577796227425 15.999 > 15 60 O 0.71017336859585 0.78556285899907 0.58577796227425 15.999 > 15 61 O 0.28982663140415 0.03556285899907 0.16422203772575 15.999 > 16 62 O 0.28982663140415 0.53556285899907 0.16422203772575 15.999 > 16 63 O 0.28982663140415 0.03556285899907 0.66422203772575 15.999 > 16 64 O 0.28982663140415 0.53556285899907 0.66422203772575 15.999 > 16 *65 O 0.37360412745866 0.22212755454997 0.10846410229006 15.999 > 17 66 O 0.37360412745866 0.72212755454997 0.10846410229006 15.999 > 17 67 O 0.37360412745866 0.22212755454997 0.60846410229006 15.999 > 17 68 O 0.37360412745866 0.72212755454997 0.60846410229006 15.999 > 17 69 O 0.62639587254134 0.47212755454997 0.14153589770994 15.999 > 18 70 O 0.62639587254134 0.97212755454997 0.14153589770994 15.999 > 18 71 O 0.62639587254134 0.47212755454997 0.64153589770994 15.999 > 18 72 O 0.62639587254134 0.97212755454997 0.64153589770994 15.999 > 18 73 O 0.62639587254134 0.27787244545003 0.39153589770994 15.999 > 19 74 O 0.62639587254134 0.77787244545003 0.39153589770994 15.999 > 19 75 O 0.62639587254134 0.27787244545003 0.89153589770994 15.999 > 19 76 O 0.62639587254134 0.77787244545003 0.89153589770994 15.999 > 19 77 O 0.37360412745866 0.02787244545003 0.35846410229006 15.999 > 20 78 O 0.37360412745866 0.52787244545003 0.35846410229006 15.999 > 20 79 O 0.37360412745866 0.02787244545003 0.85846410229006 15.999 > 20 80 O 0.37360412745866 0.52787244545003 0.85846410229006 15.999 > 20 *81 Si 0.29909339713011 0.45422287618429 0.26053459135200 28.085 > 21 82 Si 0.29909339713011 0.95422287618429 0.26053459135200 28.085 > 21 83 Si 0.29909339713011 0.45422287618429 0.76053459135200 28.085 > 21 84 Si 0.29909339713011 0.95422287618429 0.76053459135200 28.085 > 21 85 Si 0.70090660286989 0.20422287618429 0.48946540864800 28.085 > 22 86 Si 0.70090660286989 0.70422287618429 0.48946540864800 28.085 > 22 87 Si 0.70090660286989 0.20422287618429 0.98946540864800 28.085 > 22 88 Si 0.70090660286989 0.70422287618429 0.98946540864800 28.085 > 22 89 Si 0.70090660286989 0.04577712381571 0.23946540864800 28.085 > 23 90 Si 0.70090660286989 0.54577712381571 0.23946540864800 28.085 > 23 91 Si 0.70090660286989 0.04577712381571 0.73946540864800 28.085 > 23 92 Si 0.70090660286989 0.54577712381571 0.73946540864800 28.085 > 23 93 Si 0.29909339713011 0.29577712381571 0.01053459135200 28.085 > 24 94 Si 0.29909339713011 0.79577712381571 0.01053459135200 28.085 > 24 95 Si 0.29909339713011 0.29577712381571 0.51053459135200 28.085 > 24 96 Si 0.29909339713011 0.79577712381571 0.51053459135200 28.085 > 24 *97 Er 0.97025385394916 0.43808379922801 0.38408853206159 167.259 > 25 98 Er 0.97025385394916 0.93808379922801 0.38408853206159 167.259 > 25 99 Er 0.97025385394916 0.43808379922801 0.88408853206159 167.259 > 25 100 Er 0.97025385394916 0.93808379922801 0.88408853206159 167.259 > 25 101 Er 0.02974614605084 0.18808379922801 0.36591146793841 167.259 > 26 102 Er 0.02974614605084 0.68808379922801 0.36591146793841 167.259 > 26 103 Er 0.02974614605084 0.18808379922801 0.86591146793841 167.259 > 26 104 Er 0.02974614605084 0.68808379922801 0.86591146793841 167.259 > 26 105 Er 0.02974614605084 0.06191620077199 0.11591146793841 167.259 > 27 106 Er 0.02974614605084 0.56191620077199 0.11591146793841 167.259 > 27 107 Er 0.02974614605084 0.06191620077199 0.61591146793841 167.259 > 27 108 Er 0.02974614605084 0.56191620077199 0.61591146793841 167.259 > 27 109 Er 0.97025385394916 0.31191620077199 0.13408853206159 167.259 > 28 110 Er 0.97025385394916 0.81191620077199 0.13408853206159 167.259 > 28 111 Er 0.97025385394916 0.31191620077199 0.63408853206159 167.259 > 28 112 Er 0.97025385394916 0.81191620077199 0.63408853206159 167.259 > 28 *113 Er 0.36900776751212 0.18024924699513 0.27273000007722 167.259 > 29 114 Er 0.36900776751212 0.68024924699513 0.27273000007722 167.259 > 29 115 Er 0.36900776751212 0.18024924699513 0.77273000007722 167.259 > 29 116 Er 0.36900776751212 0.68024924699513 0.77273000007722 167.259 > 29 117 Er 0.63099223248788 0.43024924699513 0.47726999992278 167.259 > 30 118 Er 0.63099223248788 0.93024924699513 0.47726999992278 167.259 > 30 119 Er 0.63099223248788 0.43024924699513 0.97726999992278 167.259 > 30 120 Er 0.63099223248788 0.93024924699513 0.97726999992278 167.259 > 30 121 Er 0.63099223248788 0.31975075300487 0.22726999992278 167.259 > 31 122 Er 0.63099223248788 0.81975075300487 0.22726999992278 167.259 > 31 123 Er 0.63099223248788 0.31975075300487 0.72726999992278 167.259 > 31 124 Er 0.63099223248788 0.81975075300487 0.72726999992278 167.259 > 31 125 Er 0.36900776751212 0.06975075300487 0.02273000007722 167.259 > 32 126 Er 0.36900776751212 0.56975075300487 0.02273000007722 167.259 > 32 127 Er 0.36900776751212 0.06975075300487 0.52273000007722 167.259 > 32 128 Er 0.36900776751212 0.56975075300487 0.52273000007722 167.259 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7222232 0.0000000 0.0508653 0.0000000 3.7634045 0.0000000 0.0508789 0.0000000 3.7893521 -------------------------- Born effective charges -------------------------- 1 O -2.4194497 -0.2637771 -0.2074643 -0.3160077 -2.3728402 0.0284084 -0.1325182 0.0372755 -2.4745053 2 O -2.4194497 0.2637771 -0.2074643 0.3160077 -2.3728402 -0.0284084 -0.1325182 -0.0372755 -2.4745053 3 O -2.4194497 -0.2637771 -0.2074643 -0.3160077 -2.3728402 0.0284084 -0.1325182 0.0372755 -2.4745053 4 O -2.4194497 0.2637771 -0.2074643 0.3160077 -2.3728402 -0.0284084 -0.1325182 -0.0372755 -2.4745053 5 O -2.2818098 0.4794148 0.0655304 0.4844144 -2.5380403 -0.0727461 -0.0289613 -0.0207892 -1.3607409 6 O -2.2818098 -0.4794148 0.0655304 -0.4844144 -2.5380403 0.0727461 -0.0289613 0.0207892 -1.3607409 7 O -2.2818098 0.4794148 0.0655304 0.4844144 -2.5380403 -0.0727461 -0.0289613 -0.0207892 -1.3607409 8 O -2.2818098 -0.4794148 0.0655304 -0.4844144 -2.5380403 0.0727461 -0.0289613 0.0207892 -1.3607409 9 O -2.3734581 -0.2941676 -0.1390371 -0.3700567 -1.8988634 -0.0487084 -0.0635275 -0.0034867 -1.9274440 10 O -2.3734581 0.2941676 -0.1390371 0.3700567 -1.8988634 0.0487084 -0.0635275 0.0034867 -1.9274440 11 O -2.3734581 -0.2941676 -0.1390371 -0.3700567 -1.8988634 -0.0487084 -0.0635275 -0.0034867 -1.9274440 12 O -2.3734581 0.2941676 -0.1390371 0.3700567 -1.8988634 0.0487084 -0.0635275 0.0034867 -1.9274440 13 O -1.9998569 0.1050032 0.1830210 0.1357463 -1.8977651 -0.3090531 0.1446547 -0.4124970 -2.3970627 14 O -1.9998569 -0.1050032 0.1830210 -0.1357463 -1.8977651 0.3090531 0.1446547 0.4124970 -2.3970627 15 O -1.9998569 0.1050032 0.1830210 0.1357463 -1.8977651 -0.3090531 0.1446547 -0.4124970 -2.3970627 16 O -1.9998569 -0.1050032 0.1830210 -0.1357463 -1.8977651 0.3090531 0.1446547 0.4124970 -2.3970627 17 O -1.4816521 -0.0776770 -0.0446764 -0.0256234 -2.1616133 0.1511361 -0.0980411 0.2598046 -2.5920261 18 O -1.4816521 0.0776770 -0.0446764 0.0256234 -2.1616133 -0.1511361 -0.0980411 -0.2598046 -2.5920261 19 O -1.4816521 -0.0776770 -0.0446764 -0.0256234 -2.1616133 0.1511361 -0.0980411 0.2598046 -2.5920261 20 O -1.4816521 0.0776770 -0.0446764 0.0256234 -2.1616133 -0.1511361 -0.0980411 -0.2598046 -2.5920261 21 Si 3.1521723 -0.2755155 0.2394180 -0.0887390 3.4617375 -0.0243263 0.2945638 -0.0512290 2.9352428 22 Si 3.1521723 0.2755155 0.2394180 0.0887390 3.4617375 0.0243263 0.2945638 0.0512290 2.9352428 23 Si 3.1521723 -0.2755155 0.2394180 -0.0887390 3.4617375 -0.0243263 0.2945638 -0.0512290 2.9352428 24 Si 3.1521723 0.2755155 0.2394180 0.0887390 3.4617375 0.0243263 0.2945638 0.0512290 2.9352428 25 Er 3.2678906 0.0131335 0.1116093 0.1730345 3.7364723 0.2479767 0.0208514 0.2851862 3.9853680 26 Er 3.2678906 -0.0131335 0.1116093 -0.1730345 3.7364723 -0.2479767 0.0208514 -0.2851862 3.9853680 27 Er 3.2678906 0.0131335 0.1116093 0.1730345 3.7364723 0.2479767 0.0208514 0.2851862 3.9853680 28 Er 3.2678906 -0.0131335 0.1116093 -0.1730345 3.7364723 -0.2479767 0.0208514 -0.2851862 3.9853680 29 Er 4.1361638 0.1413812 -0.2084009 0.0627793 3.6709123 -0.0868838 -0.1370217 -0.0647004 3.8311681 30 Er 4.1361638 -0.1413812 -0.2084009 -0.0627793 3.6709123 0.0868838 -0.1370217 0.0647004 3.8311681 31 Er 4.1361638 0.1413812 -0.2084009 0.0627793 3.6709123 -0.0868838 -0.1370217 -0.0647004 3.8311681 32 Er 4.1361638 -0.1413812 -0.2084009 -0.0627793 3.6709123 0.0868838 -0.1370217 0.0647004 3.8311681 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.435 Solver_block: 200 / 960 - Time: 1.262 Solver_block: 300 / 960 - Time: 1.260 Solver_block: 400 / 960 - Time: 1.270 Solver_block: 500 / 960 - Time: 1.267 Solver_block: 600 / 960 - Time: 1.268 Solver_block: 700 / 960 - Time: 1.266 Solver_block: 800 / 960 - Time: 1.267 Solver_block: 900 / 960 - Time: 1.269 Solver_block: 960 / 960 - Time: 0.853 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.742 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), 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 2026-01-08 02:46:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:46:34]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.976248671628841 0.000000000000000 0.000000000000000 b 0.000000000000000 6.736502519999999 0.000000000000000 c -1.691556046731000 0.000000000000000 6.387840064503050 Atomic positions (fractional): 1 O 0.11258221537936 0.11846629858520 0.93559191615535 15.999 2 O 0.88741778462064 0.61846629858520 0.56440808384465 15.999 3 O 0.88741778462064 0.88153370141480 0.06440808384465 15.999 4 O 0.11258221537936 0.38153370141479 0.43559191615535 15.999 5 O 0.39531216737385 0.70906115880285 0.51290968561556 15.999 6 O 0.60468783262615 0.20906115880285 0.98709031438444 15.999 7 O 0.60468783262615 0.29093884119715 0.48709031438444 15.999 8 O 0.39531216737385 0.79093884119715 0.01290968561556 15.999 9 O 0.11246303419245 0.86235931767834 0.48817776236273 15.999 10 O 0.88753696580755 0.36235931767834 0.01182223763727 15.999 11 O 0.88753696580755 0.13764068232166 0.51182223763727 15.999 12 O 0.11246303419245 0.63764068232166 0.98817776236273 15.999 13 O 0.28982663140415 0.42887428200186 0.82844407545150 15.999 14 O 0.71017336859585 0.92887428200186 0.67155592454850 15.999 15 O 0.71017336859585 0.57112571799814 0.17155592454850 15.999 16 O 0.28982663140415 0.07112571799814 0.32844407545150 15.999 17 O 0.37360412745866 0.44425510909993 0.21692820458011 15.999 18 O 0.62639587254134 0.94425510909994 0.28307179541989 15.999 19 O 0.62639587254134 0.55574489090006 0.78307179541989 15.999 20 O 0.37360412745866 0.05574489090007 0.71692820458011 15.999 21 Si 0.29909339713011 0.90844575236857 0.52106918270399 28.085 22 Si 0.70090660286989 0.40844575236857 0.97893081729601 28.085 23 Si 0.70090660286989 0.09155424763143 0.47893081729601 28.085 24 Si 0.29909339713011 0.59155424763143 0.02106918270399 28.085 25 Er 0.97025385394916 0.87616759845601 0.76817706412318 167.259 26 Er 0.02974614605084 0.37616759845601 0.73182293587682 167.259 27 Er 0.02974614605084 0.12383240154399 0.23182293587682 167.259 28 Er 0.97025385394916 0.62383240154399 0.26817706412318 167.259 29 Er 0.36900776751212 0.36049849399027 0.54546000015444 167.259 30 Er 0.63099223248788 0.86049849399027 0.95453999984556 167.259 31 Er 0.63099223248788 0.63950150600973 0.45453999984555 167.259 32 Er 0.36900776751212 0.13950150600973 0.04546000015444 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.976248671628841 0.000000000000000 0.000000000000000 b 0.000000000000000 13.473005039999999 0.000000000000000 c -3.383112093462000 0.000000000000000 12.775680129006100 Atomic positions (fractional): 1 O 0.11258221537936 0.05923314929260 0.46779595807767 15.999 > 1 2 O 0.11258221537936 0.55923314929260 0.46779595807767 15.999 > 1 3 O 0.11258221537936 0.05923314929260 0.96779595807767 15.999 > 1 4 O 0.11258221537936 0.55923314929260 0.96779595807767 15.999 > 1 5 O 0.88741778462064 0.30923314929260 0.28220404192233 15.999 > 5 6 O 0.88741778462064 0.80923314929260 0.28220404192233 15.999 > 5 7 O 0.88741778462064 0.30923314929260 0.78220404192233 15.999 > 5 8 O 0.88741778462064 0.80923314929260 0.78220404192233 15.999 > 5 9 O 0.88741778462064 0.44076685070740 0.03220404192233 15.999 > 9 10 O 0.88741778462064 0.94076685070740 0.03220404192233 15.999 > 9 11 O 0.88741778462064 0.44076685070740 0.53220404192233 15.999 > 9 12 O 0.88741778462064 0.94076685070740 0.53220404192233 15.999 > 9 13 O 0.11258221537936 0.19076685070740 0.21779595807767 15.999 > 13 14 O 0.11258221537936 0.69076685070740 0.21779595807767 15.999 > 13 15 O 0.11258221537936 0.19076685070740 0.71779595807767 15.999 > 13 16 O 0.11258221537936 0.69076685070740 0.71779595807767 15.999 > 13 17 O 0.39531216737385 0.35453057940143 0.25645484280778 15.999 > 17 18 O 0.39531216737385 0.85453057940143 0.25645484280778 15.999 > 17 19 O 0.39531216737385 0.35453057940143 0.75645484280778 15.999 > 17 20 O 0.39531216737385 0.85453057940143 0.75645484280778 15.999 > 17 21 O 0.60468783262615 0.10453057940143 0.49354515719222 15.999 > 21 22 O 0.60468783262615 0.60453057940143 0.49354515719222 15.999 > 21 23 O 0.60468783262615 0.10453057940143 0.99354515719222 15.999 > 21 24 O 0.60468783262615 0.60453057940143 0.99354515719222 15.999 > 21 25 O 0.60468783262615 0.14546942059857 0.24354515719222 15.999 > 25 26 O 0.60468783262615 0.64546942059857 0.24354515719222 15.999 > 25 27 O 0.60468783262615 0.14546942059857 0.74354515719222 15.999 > 25 28 O 0.60468783262615 0.64546942059857 0.74354515719222 15.999 > 25 29 O 0.39531216737385 0.39546942059857 0.00645484280778 15.999 > 29 30 O 0.39531216737385 0.89546942059857 0.00645484280778 15.999 > 29 31 O 0.39531216737385 0.39546942059857 0.50645484280778 15.999 > 29 32 O 0.39531216737385 0.89546942059857 0.50645484280778 15.999 > 29 33 O 0.11246303419245 0.43117965883917 0.24408888118137 15.999 > 33 34 O 0.11246303419245 0.93117965883917 0.24408888118137 15.999 > 33 35 O 0.11246303419245 0.43117965883917 0.74408888118137 15.999 > 33 36 O 0.11246303419245 0.93117965883917 0.74408888118137 15.999 > 33 37 O 0.88753696580755 0.18117965883917 0.00591111881863 15.999 > 37 38 O 0.88753696580755 0.68117965883917 0.00591111881863 15.999 > 37 39 O 0.88753696580755 0.18117965883917 0.50591111881863 15.999 > 37 40 O 0.88753696580755 0.68117965883917 0.50591111881863 15.999 > 37 41 O 0.88753696580755 0.06882034116083 0.25591111881863 15.999 > 41 42 O 0.88753696580755 0.56882034116083 0.25591111881863 15.999 > 41 43 O 0.88753696580755 0.06882034116083 0.75591111881863 15.999 > 41 44 O 0.88753696580755 0.56882034116083 0.75591111881863 15.999 > 41 45 O 0.11246303419245 0.31882034116083 0.49408888118137 15.999 > 45 46 O 0.11246303419245 0.81882034116083 0.49408888118137 15.999 > 45 47 O 0.11246303419245 0.31882034116083 0.99408888118137 15.999 > 45 48 O 0.11246303419245 0.81882034116083 0.99408888118137 15.999 > 45 49 O 0.28982663140415 0.21443714100093 0.41422203772575 15.999 > 49 50 O 0.28982663140415 0.71443714100093 0.41422203772575 15.999 > 49 51 O 0.28982663140415 0.21443714100093 0.91422203772575 15.999 > 49 52 O 0.28982663140415 0.71443714100093 0.91422203772575 15.999 > 49 53 O 0.71017336859585 0.46443714100093 0.33577796227425 15.999 > 53 54 O 0.71017336859585 0.96443714100093 0.33577796227425 15.999 > 53 55 O 0.71017336859585 0.46443714100093 0.83577796227425 15.999 > 53 56 O 0.71017336859585 0.96443714100093 0.83577796227425 15.999 > 53 57 O 0.71017336859585 0.28556285899907 0.08577796227425 15.999 > 57 58 O 0.71017336859585 0.78556285899907 0.08577796227425 15.999 > 57 59 O 0.71017336859585 0.28556285899907 0.58577796227425 15.999 > 57 60 O 0.71017336859585 0.78556285899907 0.58577796227425 15.999 > 57 61 O 0.28982663140415 0.03556285899907 0.16422203772575 15.999 > 61 62 O 0.28982663140415 0.53556285899907 0.16422203772575 15.999 > 61 63 O 0.28982663140415 0.03556285899907 0.66422203772575 15.999 > 61 64 O 0.28982663140415 0.53556285899907 0.66422203772575 15.999 > 61 65 O 0.37360412745866 0.22212755454997 0.10846410229006 15.999 > 65 66 O 0.37360412745866 0.72212755454997 0.10846410229006 15.999 > 65 67 O 0.37360412745866 0.22212755454997 0.60846410229006 15.999 > 65 68 O 0.37360412745866 0.72212755454997 0.60846410229006 15.999 > 65 69 O 0.62639587254134 0.47212755454997 0.14153589770994 15.999 > 69 70 O 0.62639587254134 0.97212755454997 0.14153589770994 15.999 > 69 71 O 0.62639587254134 0.47212755454997 0.64153589770994 15.999 > 69 72 O 0.62639587254134 0.97212755454997 0.64153589770994 15.999 > 69 73 O 0.62639587254134 0.27787244545003 0.39153589770994 15.999 > 73 74 O 0.62639587254134 0.77787244545003 0.39153589770994 15.999 > 73 75 O 0.62639587254134 0.27787244545003 0.89153589770994 15.999 > 73 76 O 0.62639587254134 0.77787244545003 0.89153589770994 15.999 > 73 77 O 0.37360412745866 0.02787244545003 0.35846410229006 15.999 > 77 78 O 0.37360412745866 0.52787244545003 0.35846410229006 15.999 > 77 79 O 0.37360412745866 0.02787244545003 0.85846410229006 15.999 > 77 80 O 0.37360412745866 0.52787244545003 0.85846410229006 15.999 > 77 81 Si 0.29909339713011 0.45422287618429 0.26053459135200 28.085 > 81 82 Si 0.29909339713011 0.95422287618429 0.26053459135200 28.085 > 81 83 Si 0.29909339713011 0.45422287618429 0.76053459135200 28.085 > 81 84 Si 0.29909339713011 0.95422287618429 0.76053459135200 28.085 > 81 85 Si 0.70090660286989 0.20422287618429 0.48946540864800 28.085 > 85 86 Si 0.70090660286989 0.70422287618429 0.48946540864800 28.085 > 85 87 Si 0.70090660286989 0.20422287618429 0.98946540864800 28.085 > 85 88 Si 0.70090660286989 0.70422287618429 0.98946540864800 28.085 > 85 89 Si 0.70090660286989 0.04577712381571 0.23946540864800 28.085 > 89 90 Si 0.70090660286989 0.54577712381571 0.23946540864800 28.085 > 89 91 Si 0.70090660286989 0.04577712381571 0.73946540864800 28.085 > 89 92 Si 0.70090660286989 0.54577712381571 0.73946540864800 28.085 > 89 93 Si 0.29909339713011 0.29577712381571 0.01053459135200 28.085 > 93 94 Si 0.29909339713011 0.79577712381571 0.01053459135200 28.085 > 93 95 Si 0.29909339713011 0.29577712381571 0.51053459135200 28.085 > 93 96 Si 0.29909339713011 0.79577712381571 0.51053459135200 28.085 > 93 97 Er 0.97025385394916 0.43808379922801 0.38408853206159 167.259 > 97 98 Er 0.97025385394916 0.93808379922801 0.38408853206159 167.259 > 97 99 Er 0.97025385394916 0.43808379922801 0.88408853206159 167.259 > 97 100 Er 0.97025385394916 0.93808379922801 0.88408853206159 167.259 > 97 101 Er 0.02974614605084 0.18808379922801 0.36591146793841 167.259 > 101 102 Er 0.02974614605084 0.68808379922801 0.36591146793841 167.259 > 101 103 Er 0.02974614605084 0.18808379922801 0.86591146793841 167.259 > 101 104 Er 0.02974614605084 0.68808379922801 0.86591146793841 167.259 > 101 105 Er 0.02974614605084 0.06191620077199 0.11591146793841 167.259 > 105 106 Er 0.02974614605084 0.56191620077199 0.11591146793841 167.259 > 105 107 Er 0.02974614605084 0.06191620077199 0.61591146793841 167.259 > 105 108 Er 0.02974614605084 0.56191620077199 0.61591146793841 167.259 > 105 109 Er 0.97025385394916 0.31191620077199 0.13408853206159 167.259 > 109 110 Er 0.97025385394916 0.81191620077199 0.13408853206159 167.259 > 109 111 Er 0.97025385394916 0.31191620077199 0.63408853206159 167.259 > 109 112 Er 0.97025385394916 0.81191620077199 0.63408853206159 167.259 > 109 113 Er 0.36900776751212 0.18024924699513 0.27273000007722 167.259 > 113 114 Er 0.36900776751212 0.68024924699513 0.27273000007722 167.259 > 113 115 Er 0.36900776751212 0.18024924699513 0.77273000007722 167.259 > 113 116 Er 0.36900776751212 0.68024924699513 0.77273000007722 167.259 > 113 117 Er 0.63099223248788 0.43024924699513 0.47726999992278 167.259 > 117 118 Er 0.63099223248788 0.93024924699513 0.47726999992278 167.259 > 117 119 Er 0.63099223248788 0.43024924699513 0.97726999992278 167.259 > 117 120 Er 0.63099223248788 0.93024924699513 0.97726999992278 167.259 > 117 121 Er 0.63099223248788 0.31975075300487 0.22726999992278 167.259 > 121 122 Er 0.63099223248788 0.81975075300487 0.22726999992278 167.259 > 121 123 Er 0.63099223248788 0.31975075300487 0.72726999992278 167.259 > 121 124 Er 0.63099223248788 0.81975075300487 0.72726999992278 167.259 > 121 125 Er 0.36900776751212 0.06975075300487 0.02273000007722 167.259 > 125 126 Er 0.36900776751212 0.56975075300487 0.02273000007722 167.259 > 125 127 Er 0.36900776751212 0.06975075300487 0.52273000007722 167.259 > 125 128 Er 0.36900776751212 0.56975075300487 0.52273000007722 167.259 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7222232 0.0000000 0.0508653 0.0000000 3.7634045 0.0000000 0.0508789 0.0000000 3.7893521 -------------------------- Born effective charges -------------------------- 1 O -2.4194497 -0.2637771 -0.2074643 -0.3160077 -2.3728402 0.0284084 -0.1325182 0.0372755 -2.4745053 2 O -2.4194497 0.2637771 -0.2074643 0.3160077 -2.3728402 -0.0284084 -0.1325182 -0.0372755 -2.4745053 3 O -2.4194497 -0.2637771 -0.2074643 -0.3160077 -2.3728402 0.0284084 -0.1325182 0.0372755 -2.4745053 4 O -2.4194497 0.2637771 -0.2074643 0.3160077 -2.3728402 -0.0284084 -0.1325182 -0.0372755 -2.4745053 5 O -2.2818098 0.4794148 0.0655304 0.4844144 -2.5380403 -0.0727461 -0.0289613 -0.0207892 -1.3607409 6 O -2.2818098 -0.4794148 0.0655304 -0.4844144 -2.5380403 0.0727461 -0.0289613 0.0207892 -1.3607409 7 O -2.2818098 0.4794148 0.0655304 0.4844144 -2.5380403 -0.0727461 -0.0289613 -0.0207892 -1.3607409 8 O -2.2818098 -0.4794148 0.0655304 -0.4844144 -2.5380403 0.0727461 -0.0289613 0.0207892 -1.3607409 9 O -2.3734581 -0.2941676 -0.1390371 -0.3700567 -1.8988634 -0.0487084 -0.0635275 -0.0034867 -1.9274440 10 O -2.3734581 0.2941676 -0.1390371 0.3700567 -1.8988634 0.0487084 -0.0635275 0.0034867 -1.9274440 11 O -2.3734581 -0.2941676 -0.1390371 -0.3700567 -1.8988634 -0.0487084 -0.0635275 -0.0034867 -1.9274440 12 O -2.3734581 0.2941676 -0.1390371 0.3700567 -1.8988634 0.0487084 -0.0635275 0.0034867 -1.9274440 13 O -1.9998569 0.1050032 0.1830210 0.1357463 -1.8977651 -0.3090531 0.1446547 -0.4124970 -2.3970627 14 O -1.9998569 -0.1050032 0.1830210 -0.1357463 -1.8977651 0.3090531 0.1446547 0.4124970 -2.3970627 15 O -1.9998569 0.1050032 0.1830210 0.1357463 -1.8977651 -0.3090531 0.1446547 -0.4124970 -2.3970627 16 O -1.9998569 -0.1050032 0.1830210 -0.1357463 -1.8977651 0.3090531 0.1446547 0.4124970 -2.3970627 17 O -1.4816521 -0.0776770 -0.0446764 -0.0256234 -2.1616133 0.1511361 -0.0980411 0.2598046 -2.5920261 18 O -1.4816521 0.0776770 -0.0446764 0.0256234 -2.1616133 -0.1511361 -0.0980411 -0.2598046 -2.5920261 19 O -1.4816521 -0.0776770 -0.0446764 -0.0256234 -2.1616133 0.1511361 -0.0980411 0.2598046 -2.5920261 20 O -1.4816521 0.0776770 -0.0446764 0.0256234 -2.1616133 -0.1511361 -0.0980411 -0.2598046 -2.5920261 21 Si 3.1521723 -0.2755155 0.2394180 -0.0887390 3.4617375 -0.0243263 0.2945638 -0.0512290 2.9352428 22 Si 3.1521723 0.2755155 0.2394180 0.0887390 3.4617375 0.0243263 0.2945638 0.0512290 2.9352428 23 Si 3.1521723 -0.2755155 0.2394180 -0.0887390 3.4617375 -0.0243263 0.2945638 -0.0512290 2.9352428 24 Si 3.1521723 0.2755155 0.2394180 0.0887390 3.4617375 0.0243263 0.2945638 0.0512290 2.9352428 25 Er 3.2678906 0.0131335 0.1116093 0.1730345 3.7364723 0.2479767 0.0208514 0.2851862 3.9853680 26 Er 3.2678906 -0.0131335 0.1116093 -0.1730345 3.7364723 -0.2479767 0.0208514 -0.2851862 3.9853680 27 Er 3.2678906 0.0131335 0.1116093 0.1730345 3.7364723 0.2479767 0.0208514 0.2851862 3.9853680 28 Er 3.2678906 -0.0131335 0.1116093 -0.1730345 3.7364723 -0.2479767 0.0208514 -0.2851862 3.9853680 29 Er 4.1361638 0.1413812 -0.2084009 0.0627793 3.6709123 -0.0868838 -0.1370217 -0.0647004 3.8311681 30 Er 4.1361638 -0.1413812 -0.2084009 -0.0627793 3.6709123 0.0868838 -0.1370217 0.0647004 3.8311681 31 Er 4.1361638 0.1413812 -0.2084009 0.0627793 3.6709123 -0.0868838 -0.1370217 -0.0647004 3.8311681 32 Er 4.1361638 -0.1413812 -0.2084009 -0.0627793 3.6709123 0.0868838 -0.1370217 0.0647004 3.8311681 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 113, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:47:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:47:19]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.976248671628841 0.000000000000000 0.000000000000000 b 0.000000000000000 6.736502519999999 0.000000000000000 c -1.691556046731000 0.000000000000000 6.387840064503050 Atomic positions (fractional): 1 O 0.11258221537936 0.11846629858520 0.93559191615535 15.999 2 O 0.88741778462064 0.61846629858520 0.56440808384465 15.999 3 O 0.88741778462064 0.88153370141480 0.06440808384465 15.999 4 O 0.11258221537936 0.38153370141479 0.43559191615535 15.999 5 O 0.39531216737385 0.70906115880285 0.51290968561556 15.999 6 O 0.60468783262615 0.20906115880285 0.98709031438444 15.999 7 O 0.60468783262615 0.29093884119715 0.48709031438444 15.999 8 O 0.39531216737385 0.79093884119715 0.01290968561556 15.999 9 O 0.11246303419245 0.86235931767834 0.48817776236273 15.999 10 O 0.88753696580755 0.36235931767834 0.01182223763727 15.999 11 O 0.88753696580755 0.13764068232166 0.51182223763727 15.999 12 O 0.11246303419245 0.63764068232166 0.98817776236273 15.999 13 O 0.28982663140415 0.42887428200186 0.82844407545150 15.999 14 O 0.71017336859585 0.92887428200186 0.67155592454850 15.999 15 O 0.71017336859585 0.57112571799814 0.17155592454850 15.999 16 O 0.28982663140415 0.07112571799814 0.32844407545150 15.999 17 O 0.37360412745866 0.44425510909993 0.21692820458011 15.999 18 O 0.62639587254134 0.94425510909994 0.28307179541989 15.999 19 O 0.62639587254134 0.55574489090006 0.78307179541989 15.999 20 O 0.37360412745866 0.05574489090007 0.71692820458011 15.999 21 Si 0.29909339713011 0.90844575236857 0.52106918270399 28.085 22 Si 0.70090660286989 0.40844575236857 0.97893081729601 28.085 23 Si 0.70090660286989 0.09155424763143 0.47893081729601 28.085 24 Si 0.29909339713011 0.59155424763143 0.02106918270399 28.085 25 Er 0.97025385394916 0.87616759845601 0.76817706412318 167.259 26 Er 0.02974614605084 0.37616759845601 0.73182293587682 167.259 27 Er 0.02974614605084 0.12383240154399 0.23182293587682 167.259 28 Er 0.97025385394916 0.62383240154399 0.26817706412318 167.259 29 Er 0.36900776751212 0.36049849399027 0.54546000015444 167.259 30 Er 0.63099223248788 0.86049849399027 0.95453999984556 167.259 31 Er 0.63099223248788 0.63950150600973 0.45453999984555 167.259 32 Er 0.36900776751212 0.13950150600973 0.04546000015444 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.976248671628841 0.000000000000000 0.000000000000000 b 0.000000000000000 13.473005039999999 0.000000000000000 c -3.383112093462000 0.000000000000000 12.775680129006100 Atomic positions (fractional): 1 O 0.11258221537936 0.05923314929260 0.46779595807767 15.999 > 1 2 O 0.11258221537936 0.55923314929260 0.46779595807767 15.999 > 1 3 O 0.11258221537936 0.05923314929260 0.96779595807767 15.999 > 1 4 O 0.11258221537936 0.55923314929260 0.96779595807767 15.999 > 1 5 O 0.88741778462064 0.30923314929260 0.28220404192233 15.999 > 5 6 O 0.88741778462064 0.80923314929260 0.28220404192233 15.999 > 5 7 O 0.88741778462064 0.30923314929260 0.78220404192233 15.999 > 5 8 O 0.88741778462064 0.80923314929260 0.78220404192233 15.999 > 5 9 O 0.88741778462064 0.44076685070740 0.03220404192233 15.999 > 9 10 O 0.88741778462064 0.94076685070740 0.03220404192233 15.999 > 9 11 O 0.88741778462064 0.44076685070740 0.53220404192233 15.999 > 9 12 O 0.88741778462064 0.94076685070740 0.53220404192233 15.999 > 9 13 O 0.11258221537936 0.19076685070740 0.21779595807767 15.999 > 13 14 O 0.11258221537936 0.69076685070740 0.21779595807767 15.999 > 13 15 O 0.11258221537936 0.19076685070740 0.71779595807767 15.999 > 13 16 O 0.11258221537936 0.69076685070740 0.71779595807767 15.999 > 13 17 O 0.39531216737385 0.35453057940143 0.25645484280778 15.999 > 17 18 O 0.39531216737385 0.85453057940143 0.25645484280778 15.999 > 17 19 O 0.39531216737385 0.35453057940143 0.75645484280778 15.999 > 17 20 O 0.39531216737385 0.85453057940143 0.75645484280778 15.999 > 17 21 O 0.60468783262615 0.10453057940143 0.49354515719222 15.999 > 21 22 O 0.60468783262615 0.60453057940143 0.49354515719222 15.999 > 21 23 O 0.60468783262615 0.10453057940143 0.99354515719222 15.999 > 21 24 O 0.60468783262615 0.60453057940143 0.99354515719222 15.999 > 21 25 O 0.60468783262615 0.14546942059857 0.24354515719222 15.999 > 25 26 O 0.60468783262615 0.64546942059857 0.24354515719222 15.999 > 25 27 O 0.60468783262615 0.14546942059857 0.74354515719222 15.999 > 25 28 O 0.60468783262615 0.64546942059857 0.74354515719222 15.999 > 25 29 O 0.39531216737385 0.39546942059857 0.00645484280778 15.999 > 29 30 O 0.39531216737385 0.89546942059857 0.00645484280778 15.999 > 29 31 O 0.39531216737385 0.39546942059857 0.50645484280778 15.999 > 29 32 O 0.39531216737385 0.89546942059857 0.50645484280778 15.999 > 29 33 O 0.11246303419245 0.43117965883917 0.24408888118137 15.999 > 33 34 O 0.11246303419245 0.93117965883917 0.24408888118137 15.999 > 33 35 O 0.11246303419245 0.43117965883917 0.74408888118137 15.999 > 33 36 O 0.11246303419245 0.93117965883917 0.74408888118137 15.999 > 33 37 O 0.88753696580755 0.18117965883917 0.00591111881863 15.999 > 37 38 O 0.88753696580755 0.68117965883917 0.00591111881863 15.999 > 37 39 O 0.88753696580755 0.18117965883917 0.50591111881863 15.999 > 37 40 O 0.88753696580755 0.68117965883917 0.50591111881863 15.999 > 37 41 O 0.88753696580755 0.06882034116083 0.25591111881863 15.999 > 41 42 O 0.88753696580755 0.56882034116083 0.25591111881863 15.999 > 41 43 O 0.88753696580755 0.06882034116083 0.75591111881863 15.999 > 41 44 O 0.88753696580755 0.56882034116083 0.75591111881863 15.999 > 41 45 O 0.11246303419245 0.31882034116083 0.49408888118137 15.999 > 45 46 O 0.11246303419245 0.81882034116083 0.49408888118137 15.999 > 45 47 O 0.11246303419245 0.31882034116083 0.99408888118137 15.999 > 45 48 O 0.11246303419245 0.81882034116083 0.99408888118137 15.999 > 45 49 O 0.28982663140415 0.21443714100093 0.41422203772575 15.999 > 49 50 O 0.28982663140415 0.71443714100093 0.41422203772575 15.999 > 49 51 O 0.28982663140415 0.21443714100093 0.91422203772575 15.999 > 49 52 O 0.28982663140415 0.71443714100093 0.91422203772575 15.999 > 49 53 O 0.71017336859585 0.46443714100093 0.33577796227425 15.999 > 53 54 O 0.71017336859585 0.96443714100093 0.33577796227425 15.999 > 53 55 O 0.71017336859585 0.46443714100093 0.83577796227425 15.999 > 53 56 O 0.71017336859585 0.96443714100093 0.83577796227425 15.999 > 53 57 O 0.71017336859585 0.28556285899907 0.08577796227425 15.999 > 57 58 O 0.71017336859585 0.78556285899907 0.08577796227425 15.999 > 57 59 O 0.71017336859585 0.28556285899907 0.58577796227425 15.999 > 57 60 O 0.71017336859585 0.78556285899907 0.58577796227425 15.999 > 57 61 O 0.28982663140415 0.03556285899907 0.16422203772575 15.999 > 61 62 O 0.28982663140415 0.53556285899907 0.16422203772575 15.999 > 61 63 O 0.28982663140415 0.03556285899907 0.66422203772575 15.999 > 61 64 O 0.28982663140415 0.53556285899907 0.66422203772575 15.999 > 61 65 O 0.37360412745866 0.22212755454997 0.10846410229006 15.999 > 65 66 O 0.37360412745866 0.72212755454997 0.10846410229006 15.999 > 65 67 O 0.37360412745866 0.22212755454997 0.60846410229006 15.999 > 65 68 O 0.37360412745866 0.72212755454997 0.60846410229006 15.999 > 65 69 O 0.62639587254134 0.47212755454997 0.14153589770994 15.999 > 69 70 O 0.62639587254134 0.97212755454997 0.14153589770994 15.999 > 69 71 O 0.62639587254134 0.47212755454997 0.64153589770994 15.999 > 69 72 O 0.62639587254134 0.97212755454997 0.64153589770994 15.999 > 69 73 O 0.62639587254134 0.27787244545003 0.39153589770994 15.999 > 73 74 O 0.62639587254134 0.77787244545003 0.39153589770994 15.999 > 73 75 O 0.62639587254134 0.27787244545003 0.89153589770994 15.999 > 73 76 O 0.62639587254134 0.77787244545003 0.89153589770994 15.999 > 73 77 O 0.37360412745866 0.02787244545003 0.35846410229006 15.999 > 77 78 O 0.37360412745866 0.52787244545003 0.35846410229006 15.999 > 77 79 O 0.37360412745866 0.02787244545003 0.85846410229006 15.999 > 77 80 O 0.37360412745866 0.52787244545003 0.85846410229006 15.999 > 77 81 Si 0.29909339713011 0.45422287618429 0.26053459135200 28.085 > 81 82 Si 0.29909339713011 0.95422287618429 0.26053459135200 28.085 > 81 83 Si 0.29909339713011 0.45422287618429 0.76053459135200 28.085 > 81 84 Si 0.29909339713011 0.95422287618429 0.76053459135200 28.085 > 81 85 Si 0.70090660286989 0.20422287618429 0.48946540864800 28.085 > 85 86 Si 0.70090660286989 0.70422287618429 0.48946540864800 28.085 > 85 87 Si 0.70090660286989 0.20422287618429 0.98946540864800 28.085 > 85 88 Si 0.70090660286989 0.70422287618429 0.98946540864800 28.085 > 85 89 Si 0.70090660286989 0.04577712381571 0.23946540864800 28.085 > 89 90 Si 0.70090660286989 0.54577712381571 0.23946540864800 28.085 > 89 91 Si 0.70090660286989 0.04577712381571 0.73946540864800 28.085 > 89 92 Si 0.70090660286989 0.54577712381571 0.73946540864800 28.085 > 89 93 Si 0.29909339713011 0.29577712381571 0.01053459135200 28.085 > 93 94 Si 0.29909339713011 0.79577712381571 0.01053459135200 28.085 > 93 95 Si 0.29909339713011 0.29577712381571 0.51053459135200 28.085 > 93 96 Si 0.29909339713011 0.79577712381571 0.51053459135200 28.085 > 93 97 Er 0.97025385394916 0.43808379922801 0.38408853206159 167.259 > 97 98 Er 0.97025385394916 0.93808379922801 0.38408853206159 167.259 > 97 99 Er 0.97025385394916 0.43808379922801 0.88408853206159 167.259 > 97 100 Er 0.97025385394916 0.93808379922801 0.88408853206159 167.259 > 97 101 Er 0.02974614605084 0.18808379922801 0.36591146793841 167.259 > 101 102 Er 0.02974614605084 0.68808379922801 0.36591146793841 167.259 > 101 103 Er 0.02974614605084 0.18808379922801 0.86591146793841 167.259 > 101 104 Er 0.02974614605084 0.68808379922801 0.86591146793841 167.259 > 101 105 Er 0.02974614605084 0.06191620077199 0.11591146793841 167.259 > 105 106 Er 0.02974614605084 0.56191620077199 0.11591146793841 167.259 > 105 107 Er 0.02974614605084 0.06191620077199 0.61591146793841 167.259 > 105 108 Er 0.02974614605084 0.56191620077199 0.61591146793841 167.259 > 105 109 Er 0.97025385394916 0.31191620077199 0.13408853206159 167.259 > 109 110 Er 0.97025385394916 0.81191620077199 0.13408853206159 167.259 > 109 111 Er 0.97025385394916 0.31191620077199 0.63408853206159 167.259 > 109 112 Er 0.97025385394916 0.81191620077199 0.63408853206159 167.259 > 109 113 Er 0.36900776751212 0.18024924699513 0.27273000007722 167.259 > 113 114 Er 0.36900776751212 0.68024924699513 0.27273000007722 167.259 > 113 115 Er 0.36900776751212 0.18024924699513 0.77273000007722 167.259 > 113 116 Er 0.36900776751212 0.68024924699513 0.77273000007722 167.259 > 113 117 Er 0.63099223248788 0.43024924699513 0.47726999992278 167.259 > 117 118 Er 0.63099223248788 0.93024924699513 0.47726999992278 167.259 > 117 119 Er 0.63099223248788 0.43024924699513 0.97726999992278 167.259 > 117 120 Er 0.63099223248788 0.93024924699513 0.97726999992278 167.259 > 117 121 Er 0.63099223248788 0.31975075300487 0.22726999992278 167.259 > 121 122 Er 0.63099223248788 0.81975075300487 0.22726999992278 167.259 > 121 123 Er 0.63099223248788 0.31975075300487 0.72726999992278 167.259 > 121 124 Er 0.63099223248788 0.81975075300487 0.72726999992278 167.259 > 121 125 Er 0.36900776751212 0.06975075300487 0.02273000007722 167.259 > 125 126 Er 0.36900776751212 0.56975075300487 0.02273000007722 167.259 > 125 127 Er 0.36900776751212 0.06975075300487 0.52273000007722 167.259 > 125 128 Er 0.36900776751212 0.56975075300487 0.52273000007722 167.259 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7222232 0.0000000 0.0508653 0.0000000 3.7634045 0.0000000 0.0508789 0.0000000 3.7893521 -------------------------- Born effective charges -------------------------- 1 O -2.4194497 -0.2637771 -0.2074643 -0.3160077 -2.3728402 0.0284084 -0.1325182 0.0372755 -2.4745053 2 O -2.4194497 0.2637771 -0.2074643 0.3160077 -2.3728402 -0.0284084 -0.1325182 -0.0372755 -2.4745053 3 O -2.4194497 -0.2637771 -0.2074643 -0.3160077 -2.3728402 0.0284084 -0.1325182 0.0372755 -2.4745053 4 O -2.4194497 0.2637771 -0.2074643 0.3160077 -2.3728402 -0.0284084 -0.1325182 -0.0372755 -2.4745053 5 O -2.2818098 0.4794148 0.0655304 0.4844144 -2.5380403 -0.0727461 -0.0289613 -0.0207892 -1.3607409 6 O -2.2818098 -0.4794148 0.0655304 -0.4844144 -2.5380403 0.0727461 -0.0289613 0.0207892 -1.3607409 7 O -2.2818098 0.4794148 0.0655304 0.4844144 -2.5380403 -0.0727461 -0.0289613 -0.0207892 -1.3607409 8 O -2.2818098 -0.4794148 0.0655304 -0.4844144 -2.5380403 0.0727461 -0.0289613 0.0207892 -1.3607409 9 O -2.3734581 -0.2941676 -0.1390371 -0.3700567 -1.8988634 -0.0487084 -0.0635275 -0.0034867 -1.9274440 10 O -2.3734581 0.2941676 -0.1390371 0.3700567 -1.8988634 0.0487084 -0.0635275 0.0034867 -1.9274440 11 O -2.3734581 -0.2941676 -0.1390371 -0.3700567 -1.8988634 -0.0487084 -0.0635275 -0.0034867 -1.9274440 12 O -2.3734581 0.2941676 -0.1390371 0.3700567 -1.8988634 0.0487084 -0.0635275 0.0034867 -1.9274440 13 O -1.9998569 0.1050032 0.1830210 0.1357463 -1.8977651 -0.3090531 0.1446547 -0.4124970 -2.3970627 14 O -1.9998569 -0.1050032 0.1830210 -0.1357463 -1.8977651 0.3090531 0.1446547 0.4124970 -2.3970627 15 O -1.9998569 0.1050032 0.1830210 0.1357463 -1.8977651 -0.3090531 0.1446547 -0.4124970 -2.3970627 16 O -1.9998569 -0.1050032 0.1830210 -0.1357463 -1.8977651 0.3090531 0.1446547 0.4124970 -2.3970627 17 O -1.4816521 -0.0776770 -0.0446764 -0.0256234 -2.1616133 0.1511361 -0.0980411 0.2598046 -2.5920261 18 O -1.4816521 0.0776770 -0.0446764 0.0256234 -2.1616133 -0.1511361 -0.0980411 -0.2598046 -2.5920261 19 O -1.4816521 -0.0776770 -0.0446764 -0.0256234 -2.1616133 0.1511361 -0.0980411 0.2598046 -2.5920261 20 O -1.4816521 0.0776770 -0.0446764 0.0256234 -2.1616133 -0.1511361 -0.0980411 -0.2598046 -2.5920261 21 Si 3.1521723 -0.2755155 0.2394180 -0.0887390 3.4617375 -0.0243263 0.2945638 -0.0512290 2.9352428 22 Si 3.1521723 0.2755155 0.2394180 0.0887390 3.4617375 0.0243263 0.2945638 0.0512290 2.9352428 23 Si 3.1521723 -0.2755155 0.2394180 -0.0887390 3.4617375 -0.0243263 0.2945638 -0.0512290 2.9352428 24 Si 3.1521723 0.2755155 0.2394180 0.0887390 3.4617375 0.0243263 0.2945638 0.0512290 2.9352428 25 Er 3.2678906 0.0131335 0.1116093 0.1730345 3.7364723 0.2479767 0.0208514 0.2851862 3.9853680 26 Er 3.2678906 -0.0131335 0.1116093 -0.1730345 3.7364723 -0.2479767 0.0208514 -0.2851862 3.9853680 27 Er 3.2678906 0.0131335 0.1116093 0.1730345 3.7364723 0.2479767 0.0208514 0.2851862 3.9853680 28 Er 3.2678906 -0.0131335 0.1116093 -0.1730345 3.7364723 -0.2479767 0.0208514 -0.2851862 3.9853680 29 Er 4.1361638 0.1413812 -0.2084009 0.0627793 3.6709123 -0.0868838 -0.1370217 -0.0647004 3.8311681 30 Er 4.1361638 -0.1413812 -0.2084009 -0.0627793 3.6709123 0.0868838 -0.1370217 0.0647004 3.8311681 31 Er 4.1361638 0.1413812 -0.2084009 0.0627793 3.6709123 -0.0868838 -0.1370217 -0.0647004 3.8311681 32 Er 4.1361638 -0.1413812 -0.2084009 -0.0627793 3.6709123 0.0868838 -0.1370217 0.0647004 3.8311681 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) 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 ... [ 6 7 8 ] 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: 0.57, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 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 2.016 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.469 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.837 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.344 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 10.215 ( 0.000 0.000 0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.867 ( 0.000 0.000 0.000) 0.000 10.964 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.320 ( 0.000 0.000 0.000) 0.000 11.504 ( 0.000 0.000 0.000) 0.000 11.653 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.470 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 12.935 ( 0.000 0.000 0.000) 0.000 13.109 ( 0.000 0.000 0.000) 0.000 13.524 ( 0.000 0.000 0.000) 0.000 13.556 ( 0.000 0.000 0.000) 0.000 13.846 ( 0.000 0.000 0.000) 0.000 13.901 ( 0.000 0.000 0.000) 0.000 13.974 ( 0.000 0.000 0.000) 0.000 14.323 ( 0.000 0.000 0.000) 0.000 14.370 ( 0.000 0.000 0.000) 0.000 14.669 ( 0.000 0.000 0.000) 0.000 14.737 ( 0.000 0.000 0.000) 0.000 15.359 ( 0.000 0.000 0.000) 0.000 15.388 ( 0.000 0.000 0.000) 0.000 15.783 ( 0.000 0.000 0.000) 0.000 16.102 ( 0.000 0.000 0.000) 0.000 16.332 ( 0.000 0.000 0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 16.630 ( 0.000 0.000 0.000) 0.000 16.900 ( 0.000 0.000 0.000) 0.000 16.923 ( 0.000 0.000 0.000) 0.000 17.565 ( 0.000 0.000 0.000) 0.000 24.378 ( 0.000 0.000 0.000) 0.000 24.568 ( 0.000 0.000 0.000) 0.000 24.752 ( 0.000 0.000 0.000) 0.000 24.895 ( 0.000 0.000 0.000) 0.000 25.485 ( 0.000 0.000 0.000) 0.000 25.660 ( 0.000 0.000 0.000) 0.000 25.793 ( 0.000 0.000 0.000) 0.000 25.823 ( 0.000 0.000 0.000) 0.000 27.172 ( 0.000 0.000 0.000) 0.000 27.377 ( 0.000 0.000 0.000) 0.000 27.535 ( 0.000 0.000 0.000) 0.000 28.396 ( 0.000 0.000 0.000) 0.000 29.495 ( 0.000 0.000 0.000) 0.000 29.780 ( 0.000 0.000 0.000) 0.000 30.398 ( 0.000 0.000 0.000) 0.000 30.728 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 23.597 0.000 -4.574) 24.037 0.496 ( 18.645 0.000 21.544) 28.492 0.826 ( 43.580 0.000 -8.108) 44.327 2.000 ( -2.783 0.000 5.453) 6.122 2.161 ( 2.997 0.000 3.481) 4.594 2.541 ( -3.196 0.000 -2.461) 4.034 2.602 ( -9.972 0.000 -1.857) 10.144 2.681 ( 2.910 0.000 1.133) 3.123 2.705 ( -8.905 0.000 -2.557) 9.265 2.936 ( -3.682 0.000 3.309) 4.950 3.023 ( -3.068 0.000 1.808) 3.561 3.064 ( 7.936 0.000 0.508) 7.952 3.380 ( -1.954 0.000 -0.150) 1.959 3.499 ( -1.042 0.000 -1.836) 2.112 3.514 ( -0.261 0.000 -1.789) 1.808 3.698 ( -1.765 0.000 0.129) 1.770 3.899 ( -6.737 0.000 2.019) 7.032 3.977 ( 3.791 0.000 2.822) 4.726 4.231 ( 0.613 0.000 -0.437) 0.752 4.273 ( 11.495 0.000 1.703) 11.621 4.745 ( -0.185 0.000 -0.965) 0.983 4.896 ( -9.232 0.000 1.202) 9.310 5.253 ( -3.920 0.000 -0.526) 3.955 5.386 ( 1.299 0.000 3.067) 3.331 5.624 ( -9.120 0.000 -1.814) 9.299 5.901 ( 2.106 0.000 0.575) 2.183 5.912 ( 4.401 0.000 -0.670) 4.452 6.035 ( 4.509 0.000 -1.808) 4.858 6.041 ( -8.992 0.000 21.239) 23.064 6.466 ( -0.872 0.000 1.238) 1.515 6.536 ( -8.573 0.000 -3.979) 9.452 6.810 ( 0.583 0.000 -2.817) 2.877 7.226 ( -8.692 0.000 20.558) 22.319 7.355 ( 13.641 0.000 5.693) 14.782 7.400 ( 3.447 0.000 -17.115) 17.459 7.567 ( -4.319 0.000 -5.582) 7.058 7.608 ( 0.469 0.000 -0.272) 0.542 8.007 ( -2.104 0.000 9.264) 9.500 8.057 ( 4.258 0.000 -1.566) 4.536 8.105 ( -11.879 0.000 -2.530) 12.145 8.453 ( -0.135 0.000 16.324) 16.325 8.626 ( 1.820 0.000 3.523) 3.965 8.707 ( 11.916 0.000 -12.032) 16.934 8.742 ( 0.811 0.000 -2.001) 2.159 8.916 ( -4.222 0.000 -2.798) 5.065 9.234 ( 3.348 0.000 -0.931) 3.475 9.288 ( 3.994 0.000 -13.024) 13.623 9.750 ( -1.703 0.000 -5.093) 5.370 10.259 ( 6.275 0.000 -3.606) 7.237 10.302 ( -4.818 0.000 0.796) 4.884 10.950 ( -10.541 0.000 12.323) 16.217 11.000 ( 1.617 0.000 0.933) 1.866 11.388 ( 8.146 0.000 -0.952) 8.201 11.587 ( 4.974 0.000 7.380) 8.899 11.687 ( 2.628 0.000 3.113) 4.074 11.761 ( -0.773 0.000 -32.406) 32.415 12.120 ( 2.843 0.000 -7.620) 8.133 12.444 ( -2.164 0.000 -1.848) 2.845 12.859 ( -2.787 0.000 -0.109) 2.790 13.040 ( -3.507 0.000 14.767) 15.178 13.273 ( 4.722 0.000 11.828) 12.736 13.496 ( -20.113 0.000 -0.967) 20.137 13.542 ( -0.868 0.000 -0.830) 1.201 13.660 ( 2.342 0.000 -16.728) 16.892 13.981 ( -0.379 0.000 -1.032) 1.100 14.099 ( 3.057 0.000 -5.489) 6.283 14.312 ( 2.770 0.000 -1.297) 3.059 14.439 ( 4.606 0.000 8.800) 9.932 14.787 ( 5.669 0.000 -1.218) 5.798 15.372 ( -0.852 0.000 -2.535) 2.674 15.386 ( 1.782 0.000 1.325) 2.221 15.735 ( -0.799 0.000 7.126) 7.171 16.105 ( -3.613 0.000 11.289) 11.853 16.127 ( -10.361 0.000 -4.250) 11.199 16.498 ( 6.123 0.000 3.746) 7.178 16.588 ( -3.766 0.000 6.859) 7.825 16.707 ( -0.123 0.000 2.247) 2.250 16.945 ( 3.339 0.000 -1.475) 3.651 16.965 ( 3.877 0.000 0.680) 3.936 17.542 ( -1.907 0.000 -1.502) 2.427 24.419 ( 4.171 0.000 0.284) 4.181 24.761 ( 0.189 0.000 2.580) 2.587 24.868 ( -2.810 0.000 -0.465) 2.848 24.877 ( 12.221 0.000 -50.062) 51.532 25.635 ( -1.922 0.000 -0.681) 2.039 25.649 ( -5.834 0.000 14.850) 15.955 25.827 ( 1.911 0.000 3.824) 4.274 25.847 ( 1.861 0.000 0.714) 1.993 27.159 ( -1.549 0.000 1.274) 2.006 27.540 ( 0.717 0.000 -1.031) 1.256 28.413 ( 1.882 0.000 -0.491) 1.945 28.807 ( -15.533 0.000 46.113) 48.658 29.504 ( 0.840 0.000 0.150) 0.854 29.795 ( 1.086 0.000 1.478) 1.835 30.721 ( -0.694 0.000 -0.112) 0.703 30.753 ( 4.048 0.000 -18.174) 18.619 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 15.778 0.000 -4.072) 16.295 0.855 ( 9.471 0.000 14.044) 16.939 1.477 ( 30.981 0.000 -12.276) 33.324 1.985 ( -2.068 0.000 7.448) 7.730 2.241 ( -5.119 0.000 1.971) 5.486 2.443 ( 1.770 0.000 8.709) 8.887 2.454 ( -4.158 0.000 -2.007) 4.617 2.506 ( -9.484 0.000 -1.887) 9.670 2.751 ( 2.241 0.000 1.981) 2.991 2.825 ( -5.249 0.000 -0.928) 5.331 3.050 ( 1.403 0.000 4.807) 5.008 3.201 ( 4.422 0.000 -2.524) 5.092 3.333 ( -4.453 0.000 0.418) 4.472 3.436 ( -3.265 0.000 -3.142) 4.531 3.458 ( -1.908 0.000 -2.991) 3.548 3.714 ( 1.502 0.000 0.846) 1.723 3.842 ( 0.670 0.000 7.921) 7.949 4.024 ( 1.102 0.000 1.250) 1.666 4.246 ( 1.042 0.000 -0.299) 1.084 4.505 ( 8.825 0.000 3.890) 9.644 4.632 ( -16.883 0.000 -6.607) 18.130 4.752 ( 2.246 0.000 -1.799) 2.877 5.185 ( -2.998 0.000 0.500) 3.039 5.435 ( 2.703 0.000 2.777) 3.875 5.459 ( -6.529 0.000 -1.782) 6.768 5.945 ( 1.685 0.000 0.769) 1.852 5.951 ( 0.030 0.000 1.824) 1.824 6.017 ( -1.120 0.000 6.594) 6.689 6.059 ( -1.042 0.000 -2.402) 2.618 6.336 ( -9.049 0.000 -4.756) 10.223 6.447 ( -1.415 0.000 0.548) 1.517 6.881 ( 6.864 0.000 -1.460) 7.018 7.139 ( -5.734 0.000 2.275) 6.169 7.387 ( 1.845 0.000 -8.089) 8.297 7.498 ( -1.357 0.000 -0.835) 1.594 7.599 ( 4.802 0.000 1.777) 5.121 7.664 ( 6.114 0.000 3.158) 6.881 7.940 ( -0.693 0.000 0.739) 1.013 8.009 ( -1.029 0.000 4.103) 4.230 8.124 ( 3.104 0.000 -0.909) 3.235 8.499 ( -1.109 0.000 8.135) 8.211 8.528 ( -11.227 0.000 -4.859) 12.233 8.750 ( -1.992 0.000 1.464) 2.473 8.839 ( -0.295 0.000 -2.497) 2.515 8.902 ( 11.906 0.000 -8.798) 14.804 9.299 ( 2.994 0.000 -0.196) 3.000 9.328 ( 2.216 0.000 7.443) 7.765 9.644 ( -5.169 0.000 -9.445) 10.767 10.232 ( -2.553 0.000 0.987) 2.737 10.412 ( 11.406 0.000 -4.299) 12.190 10.796 ( -11.151 0.000 7.659) 13.528 10.999 ( -1.302 0.000 -0.013) 1.302 11.575 ( -4.379 0.000 -8.466) 9.532 11.581 ( 10.531 0.000 -0.721) 10.556 11.756 ( 6.340 0.000 5.757) 8.564 11.772 ( 4.204 0.000 4.594) 6.227 12.062 ( -4.742 0.000 -6.247) 7.843 12.385 ( -2.590 0.000 -2.724) 3.759 12.802 ( -2.759 0.000 -0.153) 2.763 13.135 ( 5.152 0.000 12.559) 13.575 13.152 ( -15.216 0.000 -0.865) 15.241 13.378 ( 2.308 0.000 3.020) 3.801 13.535 ( -0.146 0.000 1.871) 1.877 13.585 ( -1.482 0.000 -16.164) 16.232 13.968 ( -0.389 0.000 -0.593) 0.709 14.035 ( -3.341 0.000 -4.054) 5.254 14.395 ( 4.823 0.000 0.551) 4.854 14.525 ( -0.837 0.000 4.839) 4.910 14.962 ( 13.171 0.000 -0.339) 13.175 15.343 ( -0.834 0.000 -1.768) 1.955 15.385 ( -4.154 0.000 1.297) 4.352 15.777 ( 3.936 0.000 -2.383) 4.601 15.948 ( -5.700 0.000 -3.654) 6.770 16.056 ( -7.383 0.000 11.697) 13.832 16.592 ( 0.093 0.000 7.003) 7.004 16.601 ( 2.986 0.000 3.399) 4.524 16.697 ( -0.496 0.000 -3.087) 3.127 16.998 ( 2.900 0.000 -2.478) 3.815 17.049 ( 4.203 0.000 0.328) 4.216 17.488 ( -2.608 0.000 -1.735) 3.133 24.525 ( 6.622 0.000 0.525) 6.643 24.783 ( -0.028 0.000 5.821) 5.821 24.789 ( -5.253 0.000 -0.708) 5.301 24.851 ( 4.041 0.000 -21.533) 21.909 25.599 ( -1.430 0.000 -0.497) 1.514 25.618 ( -2.246 0.000 3.876) 4.480 25.879 ( 1.661 0.000 2.184) 2.744 25.882 ( 1.373 0.000 0.532) 1.472 27.135 ( -1.493 0.000 1.180) 1.903 27.548 ( 0.652 0.000 -0.939) 1.143 28.456 ( 2.905 0.000 -1.187) 3.139 28.732 ( -8.275 0.000 15.834) 17.866 29.522 ( 0.858 0.000 0.157) 0.872 29.824 ( 1.042 0.000 1.394) 1.741 30.705 ( -0.714 0.000 -0.118) 0.724 30.737 ( 0.896 0.000 -6.372) 6.434 ======================= Grid point 3 (4/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 0.000 -0.000) 0.000 0.974 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 -0.000) 0.000 2.050 ( 0.000 0.000 -0.000) 0.000 2.393 ( 0.000 0.000 -0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 -0.000) 0.000 3.323 ( 0.000 0.000 -0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.449 ( -0.000 0.000 -0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 -0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 -0.000) 0.000 5.485 ( 0.000 0.000 -0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 -0.000) 0.000 6.029 ( 0.000 0.000 -0.000) 0.000 6.230 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 -0.000) 0.000 6.958 ( 0.000 0.000 -0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 -0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 -0.000) 0.000 8.010 ( 0.000 0.000 -0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.152 ( 0.000 0.000 0.000) 0.000 8.284 ( -0.000 0.000 -0.000) 0.000 8.507 ( 0.000 0.000 -0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.839 ( 0.000 0.000 0.000) 0.000 8.996 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 -0.000) 0.000 9.527 ( 0.000 0.000 0.000) 0.000 10.214 ( 0.000 0.000 -0.000) 0.000 10.609 ( -0.000 0.000 0.000) 0.000 10.613 ( 0.000 0.000 -0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 11.508 ( 0.000 0.000 -0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 11.890 ( -0.000 0.000 -0.000) 0.000 11.937 ( 0.000 0.000 0.000) 0.000 12.345 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 12.991 ( 0.000 0.000 -0.000) 0.000 13.255 ( 0.000 0.000 0.000) 0.000 13.407 ( 0.000 0.000 0.000) 0.000 13.483 ( -0.000 0.000 -0.000) 0.000 13.552 ( 0.000 0.000 0.000) 0.000 13.963 ( 0.000 0.000 -0.000) 0.000 13.990 ( 0.000 0.000 0.000) 0.000 14.479 ( -0.000 0.000 -0.000) 0.000 14.485 ( 0.000 0.000 0.000) 0.000 15.178 ( -0.000 0.000 0.000) 0.000 15.261 ( 0.000 0.000 0.000) 0.000 15.331 ( 0.000 0.000 0.000) 0.000 15.824 ( 0.000 0.000 -0.000) 0.000 15.890 ( 0.000 0.000 0.000) 0.000 15.997 ( 0.000 0.000 0.000) 0.000 16.624 ( 0.000 0.000 -0.000) 0.000 16.638 ( 0.000 0.000 -0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 17.019 ( 0.000 0.000 0.000) 0.000 17.095 ( 0.000 0.000 0.000) 0.000 17.454 ( 0.000 0.000 -0.000) 0.000 24.633 ( 0.000 0.000 0.000) 0.000 24.694 ( 0.000 0.000 -0.000) 0.000 24.809 ( -0.000 0.000 0.000) 0.000 24.823 ( 0.000 0.000 -0.000) 0.000 25.584 ( 0.000 0.000 0.000) 0.000 25.607 ( 0.000 0.000 -0.000) 0.000 25.897 ( 0.000 0.000 0.000) 0.000 25.901 ( 0.000 0.000 0.000) 0.000 27.123 ( 0.000 0.000 0.000) 0.000 27.552 ( 0.000 0.000 0.000) 0.000 28.487 ( 0.000 0.000 -0.000) 0.000 28.686 ( 0.000 0.000 0.000) 0.000 29.531 ( 0.000 0.000 0.000) 0.000 29.839 ( 0.000 0.000 0.000) 0.000 30.698 ( 0.000 0.000 0.000) 0.000 30.729 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 28.702 0.000) 28.702 0.704 ( 0.000 32.058 0.000) 32.058 1.273 ( 0.000 57.148 0.000) 57.148 2.132 ( 0.000 0.538 0.000) 0.538 2.424 ( 0.000 28.983 0.000) 28.983 2.532 ( 0.000 -3.506 0.000) 3.506 2.774 ( 0.000 4.193 0.000) 4.193 2.786 ( 0.000 12.799 0.000) 12.799 2.883 ( 0.000 3.812 0.000) 3.812 2.944 ( 0.000 2.349 0.000) 2.349 3.049 ( 0.000 8.671 0.000) 8.671 3.067 ( 0.000 -1.907 0.000) 1.907 3.317 ( 0.000 -2.167 0.000) 2.167 3.485 ( 0.000 -1.408 0.000) 1.408 3.497 ( 0.000 -2.810 0.000) 2.810 3.624 ( 0.000 -8.805 0.000) 8.805 3.987 ( 0.000 10.443 0.000) 10.443 4.046 ( 0.000 6.073 0.000) 6.073 4.229 ( 0.000 -5.999 0.000) 5.999 4.507 ( 0.000 18.586 0.000) 18.586 4.701 ( 0.000 -6.565 0.000) 6.565 4.777 ( 0.000 -7.009 0.000) 7.009 5.212 ( 0.000 -12.120 0.000) 12.120 5.277 ( 0.000 -10.298 0.000) 10.298 5.567 ( 0.000 -11.223 0.000) 11.223 5.819 ( 0.000 4.508 0.000) 4.508 5.828 ( 0.000 -6.962 0.000) 6.962 5.975 ( 0.000 4.003 0.000) 4.003 6.171 ( 0.000 1.095 0.000) 1.095 6.399 ( 0.000 -2.896 0.000) 2.896 6.575 ( 0.000 8.282 0.000) 8.282 6.650 ( 0.000 -0.721 0.000) 0.721 6.905 ( 0.000 5.178 0.000) 5.178 7.425 ( 0.000 5.807 0.000) 5.807 7.489 ( 0.000 -10.304 0.000) 10.304 7.665 ( 0.000 0.315 0.000) 0.315 7.686 ( 0.000 2.969 0.000) 2.969 7.982 ( 0.000 0.622 0.000) 0.622 7.994 ( 0.000 -2.660 0.000) 2.660 8.312 ( 0.000 3.259 0.000) 3.259 8.449 ( 0.000 -9.089 0.000) 9.089 8.598 ( 0.000 0.327 0.000) 0.327 8.727 ( 0.000 -2.189 0.000) 2.189 8.812 ( 0.000 3.040 0.000) 3.040 8.912 ( 0.000 -1.516 0.000) 1.516 9.241 ( 0.000 -4.094 0.000) 4.094 9.382 ( 0.000 13.460 0.000) 13.460 9.837 ( 0.000 5.210 0.000) 5.210 10.146 ( 0.000 -4.537 0.000) 4.537 10.466 ( 0.000 6.096 0.000) 6.096 10.763 ( 0.000 -8.742 0.000) 8.742 10.999 ( 0.000 2.042 0.000) 2.042 11.308 ( 0.000 1.104 0.000) 1.104 11.327 ( 0.000 2.348 0.000) 2.348 11.458 ( 0.000 -3.964 0.000) 3.964 12.089 ( 0.000 1.349 0.000) 1.349 12.307 ( 0.000 2.461 0.000) 2.461 12.749 ( 0.000 -7.779 0.000) 7.779 13.025 ( 0.000 3.897 0.000) 3.897 13.112 ( 0.000 -2.408 0.000) 2.408 13.332 ( 0.000 -7.057 0.000) 7.057 13.498 ( 0.000 -8.865 0.000) 8.865 13.701 ( 0.000 0.197 0.000) 0.197 13.748 ( 0.000 7.426 0.000) 7.426 14.019 ( 0.000 -0.226 0.000) 0.226 14.129 ( 0.000 6.485 0.000) 6.485 14.307 ( 0.000 -4.025 0.000) 4.025 14.361 ( 0.000 -19.018 0.000) 19.018 14.554 ( 0.000 -6.177 0.000) 6.177 14.913 ( 0.000 7.510 0.000) 7.510 15.251 ( 0.000 -8.294 0.000) 8.294 15.509 ( 0.000 7.526 0.000) 7.526 15.726 ( 0.000 0.154 0.000) 0.154 16.150 ( 0.000 5.433 0.000) 5.433 16.488 ( 0.000 -10.155 0.000) 10.155 16.603 ( 0.000 17.386 0.000) 17.386 16.897 ( 0.000 0.395 0.000) 0.395 16.980 ( 0.000 2.111 0.000) 2.111 17.274 ( 0.000 1.217 0.000) 1.217 17.515 ( 0.000 -4.761 0.000) 4.761 24.551 ( 0.000 -0.872 0.000) 0.872 24.570 ( 0.000 0.083 0.000) 0.083 24.783 ( 0.000 2.594 0.000) 2.594 24.899 ( 0.000 0.384 0.000) 0.384 25.466 ( 0.000 -1.233 0.000) 1.233 25.705 ( 0.000 3.611 0.000) 3.611 25.741 ( 0.000 -3.810 0.000) 3.810 25.897 ( 0.000 1.523 0.000) 1.523 27.160 ( 0.000 -0.342 0.000) 0.342 27.443 ( 0.000 5.531 0.000) 5.531 27.625 ( 0.000 -2.782 0.000) 2.782 28.337 ( 0.000 -5.517 0.000) 5.517 29.726 ( 0.000 -4.124 0.000) 4.124 30.177 ( 0.000 -13.502 0.000) 13.502 30.978 ( 0.000 16.162 0.000) 16.162 31.557 ( 0.000 4.513 0.000) 4.513 ======================= Grid point 8 (6/104) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 10.254 14.936 -2.629) 18.307 0.834 ( 9.875 24.770 14.334) 30.274 1.533 ( 21.169 46.696 -6.297) 51.656 2.159 ( 3.082 1.640 0.046) 3.492 2.367 ( -6.502 20.467 2.203) 21.588 2.504 ( -3.088 0.865 2.942) 4.352 2.672 ( -7.198 5.224 -3.422) 9.530 2.765 ( -8.483 6.130 -1.476) 10.569 2.813 ( 1.609 10.843 0.991) 11.006 3.002 ( 0.529 0.279 4.334) 4.375 3.037 ( 0.099 4.640 -0.569) 4.676 3.133 ( 4.521 7.736 0.224) 8.963 3.318 ( -1.008 -4.034 -0.168) 4.162 3.484 ( -0.858 -0.577 0.785) 1.298 3.519 ( 2.648 -0.904 0.261) 2.811 3.594 ( -1.830 -6.749 0.313) 6.999 3.932 ( -6.491 2.596 -2.218) 7.334 4.036 ( -1.463 7.771 4.711) 9.204 4.217 ( 4.355 -2.189 0.685) 4.922 4.507 ( 1.030 15.051 -1.353) 15.147 4.713 ( -2.795 -4.551 -4.034) 6.693 4.726 ( -3.663 -9.670 3.578) 10.942 5.184 ( -1.231 -7.196 0.983) 7.366 5.318 ( 2.237 -7.307 2.751) 8.122 5.560 ( -4.708 -7.001 0.635) 8.461 5.843 ( 2.477 -1.658 1.769) 3.466 5.892 ( 1.579 -7.927 7.325) 10.908 5.960 ( -0.971 0.973 -3.277) 3.554 6.167 ( -1.290 5.726 6.912) 9.068 6.461 ( -3.118 -1.902 -1.081) 3.808 6.578 ( 1.599 -8.852 -0.304) 9.001 6.665 ( 2.509 3.407 -3.173) 5.289 6.903 ( 5.586 3.795 -0.780) 6.798 7.413 ( -0.944 -7.989 -3.440) 8.749 7.424 ( 0.070 2.713 -7.455) 7.934 7.599 ( -2.991 2.463 3.562) 5.263 7.699 ( -0.215 2.629 -1.641) 3.107 7.962 ( -4.535 -2.224 4.187) 6.560 8.055 ( 5.222 0.385 -0.056) 5.236 8.189 ( -5.975 6.158 -3.716) 9.351 8.553 ( 4.874 -8.895 -2.171) 10.373 8.610 ( -2.125 0.334 7.179) 7.495 8.720 ( -0.713 1.849 3.231) 3.790 8.776 ( -1.126 3.865 5.461) 6.784 8.927 ( 0.492 2.013 -3.448) 4.023 9.232 ( 2.078 -2.236 -8.834) 9.347 9.408 ( 1.330 11.317 3.154) 11.823 9.810 ( -1.928 4.917 -3.695) 6.446 10.159 ( 2.324 -5.134 -2.347) 6.105 10.434 ( -1.956 6.351 0.127) 6.646 10.749 ( -3.604 -10.035 3.272) 11.154 11.050 ( 2.273 0.262 0.954) 2.479 11.306 ( 3.192 -3.211 -2.103) 4.992 11.382 ( 7.701 -1.115 -0.100) 7.782 11.609 ( 7.938 -0.882 2.287) 8.307 12.010 ( -8.227 1.208 0.609) 8.338 12.235 ( -3.344 3.914 -5.193) 7.312 12.624 ( -8.695 2.533 -8.857) 12.667 12.881 ( -5.364 4.974 -6.168) 9.569 13.052 ( -9.419 -6.092 3.760) 11.831 13.261 ( -4.379 1.820 11.533) 12.470 13.400 ( -1.424 -0.972 -4.746) 5.049 13.595 ( -2.439 -0.547 4.339) 5.008 13.712 ( -2.122 1.225 -8.775) 9.111 13.860 ( -5.512 -1.913 -6.213) 8.524 14.190 ( 1.490 1.096 -4.041) 4.444 14.302 ( 1.111 -3.099 -0.259) 3.302 14.485 ( 3.480 4.350 4.305) 7.040 14.706 ( 9.495 -8.869 6.305) 14.442 15.093 ( 9.299 -18.802 -0.660) 20.986 15.267 ( 0.181 -8.248 1.321) 8.355 15.521 ( -5.560 -3.166 5.308) 8.313 15.953 ( 15.630 0.913 -0.468) 15.664 16.188 ( 2.540 2.584 6.835) 7.736 16.493 ( 0.279 -3.393 6.120) 7.004 16.593 ( -1.946 12.339 0.189) 12.493 16.907 ( -0.059 1.367 -1.758) 2.228 16.966 ( -0.937 -0.091 -1.390) 1.679 17.166 ( -2.457 10.078 -1.108) 10.432 17.550 ( 0.170 -1.413 -1.032) 1.758 24.470 ( 0.796 3.079 1.695) 3.604 24.742 ( 7.890 -5.637 -14.168) 17.169 24.790 ( 0.753 1.635 -1.511) 2.351 24.907 ( 2.035 1.116 -6.994) 7.370 25.533 ( 1.156 -5.273 9.845) 11.228 25.680 ( -1.334 1.539 1.068) 2.300 25.742 ( -0.017 -1.730 -0.444) 1.786 25.918 ( 1.388 1.703 1.937) 2.929 27.162 ( -1.183 0.118 1.340) 1.792 27.538 ( 2.539 0.752 -0.001) 2.648 27.822 ( 15.046 -22.543 12.125) 29.692 28.373 ( 3.005 -7.177 3.895) 8.702 29.652 ( -6.330 -2.379 -2.855) 7.341 30.189 ( 0.430 -12.139 3.101) 12.537 30.801 ( -17.176 27.787 -1.554) 32.704 31.281 ( -9.725 21.354 -7.775) 24.719 ======================= Grid point 9 (7/104) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 16.437 -0.315 -0.888) 16.463 1.111 ( 10.579 17.607 13.263) 24.451 1.807 ( 10.484 24.291 -6.435) 27.228 2.149 ( -6.166 6.949 -5.897) 11.004 2.327 ( 4.401 3.058 3.263) 6.274 2.457 ( -4.069 10.355 3.769) 11.747 2.562 ( -2.794 7.669 -0.463) 8.175 2.577 ( -8.845 10.812 -0.732) 13.988 2.854 ( 1.084 6.254 1.110) 6.443 2.977 ( -1.971 4.560 2.813) 5.709 3.063 ( 0.419 10.273 2.222) 10.519 3.231 ( 5.110 1.360 -1.266) 5.437 3.314 ( 1.728 0.748 2.840) 3.407 3.469 ( -0.780 1.773 0.241) 1.952 3.508 ( -3.305 5.585 -3.070) 7.179 3.601 ( 1.309 -7.456 0.556) 7.591 3.815 ( -3.066 -2.086 0.136) 3.711 4.015 ( -3.278 -0.151 2.320) 4.019 4.324 ( 3.218 0.205 2.730) 4.225 4.511 ( -6.566 -6.728 -5.884) 11.090 4.590 ( 2.131 7.302 0.677) 7.636 4.714 ( -1.011 -2.459 1.796) 3.208 5.177 ( -0.666 -1.753 2.266) 2.942 5.382 ( 3.025 -4.757 1.084) 5.741 5.445 ( -5.314 -1.665 -0.176) 5.572 5.879 ( -1.442 -4.689 2.207) 5.379 5.924 ( -1.318 -5.333 -0.004) 5.493 5.926 ( 1.868 -4.271 0.699) 4.714 6.172 ( -2.089 7.339 2.198) 7.941 6.313 ( -6.841 0.494 -3.850) 7.866 6.602 ( -0.303 8.804 2.372) 9.123 6.680 ( 1.462 -13.381 -0.995) 13.497 7.036 ( 5.038 0.047 -2.564) 5.653 7.365 ( -0.268 -5.571 -5.118) 7.570 7.527 ( 10.260 -1.038 -3.207) 10.800 7.593 ( -0.347 1.162 4.152) 4.326 7.705 ( 1.626 3.202 0.853) 3.691 7.898 ( -1.598 -1.532 3.260) 3.940 8.097 ( -1.322 5.690 -3.638) 6.882 8.139 ( 2.818 1.840 0.231) 3.374 8.439 ( -12.091 -5.560 -4.406) 14.019 8.599 ( -1.598 2.349 4.028) 4.929 8.730 ( -3.206 0.658 4.140) 5.277 8.858 ( 1.045 1.916 5.914) 6.304 8.940 ( 8.085 1.143 -7.973) 11.412 9.238 ( 1.522 -3.363 -3.420) 5.032 9.459 ( 1.311 9.627 7.887) 12.514 9.720 ( -4.083 5.791 -8.121) 10.777 10.203 ( 2.792 -3.117 -1.180) 4.348 10.433 ( 1.933 -0.074 -1.084) 2.217 10.673 ( -5.438 -5.484 4.089) 8.739 11.059 ( -0.858 2.570 -0.185) 2.716 11.382 ( 4.677 -7.416 -1.322) 8.867 11.539 ( 2.337 -2.136 -2.284) 3.904 11.683 ( 6.367 1.558 1.579) 6.742 11.954 ( 0.810 1.025 6.468) 6.599 12.161 ( -3.165 2.391 -4.150) 5.741 12.457 ( -5.347 6.580 -4.623) 9.657 12.793 ( -2.884 -0.492 -1.598) 3.334 12.893 ( -10.367 -13.153 1.098) 16.783 13.220 ( 0.419 1.616 7.000) 7.197 13.450 ( 2.356 -1.314 1.144) 2.930 13.564 ( -3.028 0.856 -2.276) 3.884 13.634 ( -0.741 5.126 -5.116) 7.280 13.743 ( -3.747 -6.457 -4.434) 8.683 14.161 ( -0.637 0.884 -2.909) 3.106 14.352 ( 2.263 -5.051 2.863) 6.232 14.541 ( -0.080 3.255 0.519) 3.297 14.920 ( 12.199 -3.795 2.231) 12.969 15.227 ( 3.889 -13.880 0.818) 14.438 15.278 ( 1.463 -10.610 0.570) 10.726 15.392 ( -8.886 -6.603 0.206) 11.072 16.059 ( 1.000 7.246 -2.680) 7.790 16.317 ( 4.182 1.714 7.253) 8.546 16.503 ( -3.841 8.901 3.200) 10.209 16.588 ( 2.635 -1.041 3.113) 4.209 16.853 ( -2.693 3.617 -0.754) 4.572 16.986 ( 2.526 -0.475 -2.492) 3.580 17.201 ( 4.376 10.813 -0.337) 11.670 17.505 ( -3.376 0.950 -1.771) 3.929 24.543 ( 5.396 1.371 0.669) 5.608 24.747 ( -1.192 -2.931 -5.666) 6.490 24.804 ( 0.081 1.851 5.615) 5.913 24.888 ( 1.158 2.853 -11.967) 12.357 25.552 ( -1.210 -2.483 2.178) 3.518 25.680 ( -0.493 2.972 2.720) 4.059 25.749 ( 1.107 -5.594 -0.474) 5.722 25.953 ( 1.173 1.700 1.394) 2.492 27.139 ( -1.514 0.426 0.900) 1.812 27.561 ( 0.840 1.202 -0.776) 1.659 28.058 ( 5.387 -26.364 4.807) 27.334 28.472 ( 3.791 -12.251 5.767) 14.061 29.518 ( -5.232 -0.216 -2.855) 5.964 30.222 ( 1.195 -13.533 3.532) 14.038 30.532 ( -8.699 33.368 -3.183) 34.630 31.177 ( -1.633 18.620 -2.676) 18.882 ======================= Grid point 10 (8/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.000 0.214 0.000) 0.214 1.273 ( 0.000 17.718 0.000) 17.718 1.869 ( 0.000 -0.304 0.000) 0.304 2.059 ( 0.000 15.160 0.000) 15.160 2.386 ( 0.000 -3.566 -0.000) 3.566 2.448 ( 0.000 17.534 0.000) 17.534 2.463 ( -0.000 9.019 -0.000) 9.019 2.535 ( 0.000 11.868 0.000) 11.868 2.894 ( 0.000 8.639 0.000) 8.639 2.947 ( -0.000 -6.227 -0.000) 6.227 3.062 ( 0.000 13.845 0.000) 13.845 3.312 ( 0.000 11.684 0.000) 11.684 3.369 ( -0.000 3.141 -0.000) 3.141 3.377 ( 0.000 4.936 0.000) 4.936 3.503 ( -0.000 3.586 0.000) 3.586 3.616 ( 0.000 -6.923 -0.000) 6.923 3.834 ( 0.000 -14.506 0.000) 14.506 3.944 ( -0.000 0.603 -0.000) 0.603 4.356 ( -0.000 1.694 0.000) 1.694 4.390 ( 0.000 -2.046 0.000) 2.046 4.647 ( -0.000 8.117 -0.000) 8.117 4.710 ( 0.000 -6.081 0.000) 6.081 5.176 ( 0.000 1.453 0.000) 1.453 5.376 ( 0.000 -1.455 0.000) 1.455 5.441 ( 0.000 -3.973 -0.000) 3.973 5.870 ( 0.000 -5.031 0.000) 5.031 5.890 ( 0.000 -5.794 0.000) 5.794 5.964 ( 0.000 -5.809 -0.000) 5.809 6.129 ( 0.000 6.635 -0.000) 6.635 6.246 ( 0.000 3.282 -0.000) 3.282 6.603 ( 0.000 12.603 -0.000) 12.603 6.694 ( 0.000 -15.900 0.000) 15.900 7.070 ( 0.000 -0.396 -0.000) 0.396 7.352 ( 0.000 -5.697 -0.000) 5.697 7.604 ( -0.000 -1.450 0.000) 1.450 7.612 ( 0.000 5.564 -0.000) 5.564 7.728 ( 0.000 4.600 -0.000) 4.600 7.981 ( 0.000 -4.073 0.000) 4.073 8.123 ( 0.000 1.709 -0.000) 1.709 8.170 ( 0.000 1.720 -0.000) 1.720 8.183 ( -0.000 -3.956 -0.000) 3.956 8.593 ( 0.000 3.066 -0.000) 3.066 8.703 ( -0.000 -0.513 0.000) 0.513 8.858 ( 0.000 2.296 0.000) 2.296 9.030 ( 0.000 1.407 -0.000) 1.407 9.245 ( 0.000 -5.697 -0.000) 5.697 9.513 ( 0.000 8.096 -0.000) 8.096 9.634 ( 0.000 7.495 0.000) 7.495 10.231 ( 0.000 0.461 0.000) 0.461 10.457 ( 0.000 -11.685 -0.000) 11.685 10.625 ( -0.000 2.473 0.000) 2.473 11.045 ( 0.000 3.610 0.000) 3.610 11.433 ( -0.000 -8.525 -0.000) 8.525 11.503 ( 0.000 -0.261 -0.000) 0.261 11.827 ( 0.000 -0.618 0.000) 0.618 11.995 ( 0.000 3.662 -0.000) 3.662 12.090 ( 0.000 0.043 0.000) 0.043 12.392 ( 0.000 7.396 0.000) 7.396 12.762 ( 0.000 -15.194 -0.000) 15.194 12.771 ( -0.000 0.075 0.000) 0.075 13.290 ( 0.000 -1.804 0.000) 1.804 13.431 ( 0.000 -7.914 -0.000) 7.914 13.525 ( -0.000 9.292 -0.000) 9.292 13.628 ( 0.000 7.474 -0.000) 7.474 13.695 ( 0.000 -9.751 0.000) 9.751 14.149 ( 0.000 1.453 0.000) 1.453 14.387 ( -0.000 -7.536 0.000) 7.536 14.527 ( 0.000 3.990 0.000) 3.990 15.151 ( -0.000 -8.859 -0.000) 8.859 15.164 ( 0.000 -1.626 0.000) 1.626 15.282 ( 0.000 -3.532 0.000) 3.532 15.317 ( 0.000 -18.967 0.000) 18.967 16.059 ( 0.000 5.940 0.000) 5.940 16.365 ( 0.000 17.557 0.000) 17.557 16.472 ( 0.000 -5.190 -0.000) 5.190 16.631 ( 0.000 0.916 -0.000) 0.916 16.825 ( 0.000 3.701 0.000) 3.701 17.005 ( 0.000 -0.475 0.000) 0.475 17.259 ( -0.000 12.855 0.000) 12.855 17.453 ( 0.000 -0.690 -0.000) 0.690 24.630 ( -0.000 -0.250 -0.000) 0.250 24.688 ( 0.000 -0.667 0.000) 0.667 24.831 ( 0.000 1.128 0.000) 1.128 24.855 ( 0.000 3.880 -0.000) 3.880 25.543 ( -0.000 -1.670 -0.000) 1.670 25.681 ( 0.000 4.535 -0.000) 4.535 25.762 ( 0.000 -7.414 0.000) 7.414 25.968 ( 0.000 1.632 0.000) 1.632 27.125 ( 0.000 0.356 -0.000) 0.356 27.567 ( 0.000 1.268 0.000) 1.268 28.112 ( 0.000 -24.076 -0.000) 24.076 28.527 ( 0.000 -13.745 0.000) 13.745 29.459 ( 0.000 -0.282 -0.000) 0.282 30.249 ( 0.000 -19.325 0.000) 19.325 30.442 ( 0.000 37.273 0.000) 37.273 31.157 ( 0.000 17.912 -0.000) 17.912 ======================= Grid point 14 (9/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 28.619 0.000) 28.619 1.336 ( 0.000 27.112 0.000) 27.112 2.071 ( 0.000 1.608 0.000) 1.608 2.358 ( 0.000 10.672 0.000) 10.672 2.500 ( 0.000 24.052 0.000) 24.052 2.773 ( 0.000 4.349 0.000) 4.349 2.913 ( 0.000 0.666 0.000) 0.666 2.934 ( 0.000 6.172 0.000) 6.172 2.979 ( 0.000 -1.122 0.000) 1.122 3.084 ( 0.000 5.280 0.000) 5.280 3.211 ( 0.000 6.255 0.000) 6.255 3.211 ( 0.000 17.945 0.000) 17.945 3.307 ( 0.000 1.271 0.000) 1.271 3.387 ( 0.000 0.578 0.000) 0.578 3.517 ( 0.000 5.053 0.000) 5.053 3.608 ( 0.000 4.990 0.000) 4.990 4.031 ( 0.000 -4.314 0.000) 4.314 4.202 ( 0.000 6.913 0.000) 6.913 4.308 ( 0.000 11.768 0.000) 11.768 4.466 ( 0.000 -12.949 0.000) 12.949 4.635 ( 0.000 -7.498 0.000) 7.498 4.892 ( 0.000 -16.757 0.000) 16.757 4.905 ( 0.000 16.139 0.000) 16.139 5.023 ( 0.000 -10.332 0.000) 10.332 5.274 ( 0.000 -16.368 0.000) 16.368 5.673 ( 0.000 -5.425 0.000) 5.425 5.927 ( 0.000 5.604 0.000) 5.604 6.010 ( 0.000 -0.375 0.000) 0.375 6.229 ( 0.000 3.763 0.000) 3.763 6.379 ( 0.000 -0.438 0.000) 0.438 6.645 ( 0.000 1.401 0.000) 1.401 6.753 ( 0.000 7.587 0.000) 7.587 6.986 ( 0.000 1.620 0.000) 1.620 7.219 ( 0.000 -14.018 0.000) 14.018 7.505 ( 0.000 0.861 0.000) 0.861 7.719 ( 0.000 -2.201 0.000) 2.201 7.724 ( 0.000 5.798 0.000) 5.798 7.932 ( 0.000 -1.912 0.000) 1.912 8.031 ( 0.000 4.256 0.000) 4.256 8.280 ( 0.000 -4.200 0.000) 4.200 8.413 ( 0.000 6.257 0.000) 6.257 8.570 ( 0.000 -3.739 0.000) 3.739 8.649 ( 0.000 -4.967 0.000) 4.967 8.873 ( 0.000 1.177 0.000) 1.177 8.941 ( 0.000 3.843 0.000) 3.843 9.140 ( 0.000 -4.302 0.000) 4.302 9.682 ( 0.000 13.565 0.000) 13.565 9.942 ( 0.000 4.039 0.000) 4.039 10.064 ( 0.000 -2.748 0.000) 2.748 10.520 ( 0.000 -13.485 0.000) 13.485 10.610 ( 0.000 7.504 0.000) 7.504 11.015 ( 0.000 -1.124 0.000) 1.124 11.307 ( 0.000 -0.448 0.000) 0.448 11.367 ( 0.000 -3.876 0.000) 3.876 11.459 ( 0.000 9.644 0.000) 9.644 12.110 ( 0.000 -0.411 0.000) 0.411 12.368 ( 0.000 2.905 0.000) 2.905 12.599 ( 0.000 -6.124 0.000) 6.124 12.908 ( 0.000 -12.676 0.000) 12.676 13.052 ( 0.000 -5.030 0.000) 5.030 13.281 ( 0.000 -3.768 0.000) 3.768 13.350 ( 0.000 5.177 0.000) 5.177 13.752 ( 0.000 -4.389 0.000) 4.389 13.779 ( 0.000 -5.184 0.000) 5.184 13.959 ( 0.000 -4.891 0.000) 4.891 13.970 ( 0.000 -8.463 0.000) 8.463 14.253 ( 0.000 3.302 0.000) 3.302 14.314 ( 0.000 5.825 0.000) 5.825 14.477 ( 0.000 -0.931 0.000) 0.931 14.951 ( 0.000 -5.924 0.000) 5.924 15.183 ( 0.000 4.621 0.000) 4.621 15.581 ( 0.000 -1.288 0.000) 1.288 15.798 ( 0.000 5.334 0.000) 5.334 16.245 ( 0.000 -7.656 0.000) 7.656 16.396 ( 0.000 12.806 0.000) 12.806 16.812 ( 0.000 1.547 0.000) 1.547 16.965 ( 0.000 -2.804 0.000) 2.804 17.025 ( 0.000 11.445 0.000) 11.445 17.313 ( 0.000 1.710 0.000) 1.710 17.362 ( 0.000 -9.604 0.000) 9.604 24.537 ( 0.000 -0.356 0.000) 0.356 24.567 ( 0.000 -0.393 0.000) 0.393 24.847 ( 0.000 3.048 0.000) 3.048 24.911 ( 0.000 0.694 0.000) 0.694 25.453 ( 0.000 0.229 0.000) 0.229 25.650 ( 0.000 -4.654 0.000) 4.654 25.788 ( 0.000 3.857 0.000) 3.857 25.917 ( 0.000 0.229 0.000) 0.229 27.181 ( 0.000 2.535 0.000) 2.535 27.538 ( 0.000 -5.333 0.000) 5.333 27.586 ( 0.000 7.631 0.000) 7.631 28.172 ( 0.000 -9.540 0.000) 9.540 29.652 ( 0.000 -2.072 0.000) 2.072 29.919 ( 0.000 -10.384 0.000) 10.384 31.307 ( 0.000 14.042 0.000) 14.042 31.650 ( 0.000 3.236 0.000) 3.236 ======================= Grid point 15 (10/104) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -6.453 27.141 -5.427) 28.420 1.366 ( 2.488 23.748 8.804) 25.449 2.053 ( -2.269 -0.596 -0.088) 2.348 2.353 ( -3.522 -4.037 -0.254) 5.364 2.553 ( 0.072 21.624 -1.194) 21.657 2.720 ( -6.123 7.636 -1.717) 9.937 2.821 ( 2.328 16.211 -2.490) 16.566 2.918 ( -1.659 1.355 -1.309) 2.510 2.974 ( -2.524 5.685 -2.458) 6.688 3.061 ( -2.059 -0.521 0.011) 2.123 3.207 ( 2.024 9.818 -0.771) 10.054 3.249 ( 4.633 0.474 1.215) 4.813 3.323 ( 1.211 9.049 -1.451) 9.244 3.450 ( 3.228 0.785 1.948) 3.851 3.577 ( 3.188 7.641 7.690) 11.300 3.621 ( 1.772 8.641 1.266) 8.911 3.899 ( -9.495 -3.330 -5.741) 11.584 4.225 ( -3.941 6.996 -3.296) 8.680 4.285 ( 1.697 8.685 5.078) 10.203 4.389 ( -5.332 -13.738 -2.135) 14.890 4.584 ( -3.703 -7.575 -1.837) 8.629 4.905 ( -1.845 8.153 3.346) 9.003 4.982 ( 6.664 -4.917 2.790) 8.739 5.098 ( 5.848 -12.089 7.391) 15.328 5.333 ( 3.899 -12.752 -1.988) 13.482 5.712 ( 2.075 -6.824 4.650) 8.514 5.846 ( -5.225 1.068 0.963) 5.419 5.977 ( -3.393 1.300 -3.478) 5.030 6.292 ( 3.451 5.228 2.049) 6.591 6.387 ( 2.370 -3.093 -1.962) 4.362 6.521 ( -8.468 2.955 -3.614) 9.669 6.844 ( 2.482 7.727 -0.414) 8.126 7.005 ( 5.472 3.757 4.563) 8.055 7.150 ( -2.617 -12.948 -8.740) 15.839 7.494 ( -1.341 0.421 -1.670) 2.182 7.678 ( 0.232 -3.528 -3.134) 4.724 7.688 ( -4.003 6.455 0.988) 7.659 7.947 ( -0.555 0.906 1.160) 1.573 8.086 ( 3.883 2.088 3.427) 5.584 8.323 ( -5.329 0.475 -1.365) 5.521 8.402 ( 5.103 1.620 2.757) 6.022 8.592 ( -0.287 -2.137 6.766) 7.101 8.616 ( 3.719 -6.413 -6.816) 10.071 8.881 ( -6.149 4.152 9.361) 11.945 8.988 ( 4.242 1.879 -1.289) 4.816 9.139 ( 2.029 -5.333 -5.907) 8.212 9.677 ( -1.396 12.369 3.890) 13.041 9.917 ( -2.385 4.458 -3.065) 5.913 10.064 ( 1.856 -3.270 -2.248) 4.381 10.435 ( -6.805 -8.428 1.978) 11.011 10.668 ( 3.872 4.427 -1.324) 6.029 11.037 ( 2.227 -1.602 -0.700) 2.831 11.325 ( 1.750 1.583 -0.038) 2.360 11.377 ( 4.870 0.960 -1.240) 5.116 11.597 ( 9.145 1.513 5.183) 10.620 12.008 ( -10.061 -1.089 -2.358) 10.391 12.291 ( -6.390 1.936 -1.138) 6.773 12.563 ( -2.524 -4.470 -1.732) 5.418 12.787 ( -10.344 -12.189 0.857) 16.009 13.014 ( -4.993 0.616 -6.469) 8.195 13.225 ( -0.630 -8.782 -4.435) 9.859 13.324 ( -6.221 2.676 2.798) 7.327 13.639 ( -2.995 -2.036 -0.950) 3.745 13.682 ( -4.422 -3.185 -1.148) 5.569 13.878 ( -3.528 0.969 -2.666) 4.527 14.057 ( 1.679 -8.674 -3.596) 9.539 14.273 ( 0.845 2.976 1.091) 3.281 14.527 ( 9.060 0.063 4.802) 10.254 14.600 ( 13.503 1.035 10.502) 17.138 14.940 ( -0.377 -3.699 -3.939) 5.417 15.136 ( -1.156 -1.006 -2.398) 2.845 15.473 ( -8.193 -3.024 -1.112) 8.804 16.015 ( 14.505 3.091 6.834) 16.330 16.325 ( 0.612 -4.508 3.525) 5.755 16.380 ( 3.264 10.208 3.198) 11.184 16.790 ( -2.669 2.145 -3.465) 4.871 16.925 ( -2.021 -2.510 -2.671) 4.186 17.034 ( 0.431 10.392 2.566) 10.713 17.271 ( 0.969 0.223 -1.984) 2.219 17.469 ( 5.487 -5.032 -0.150) 7.447 24.520 ( 0.795 1.729 1.089) 2.192 24.646 ( 5.755 -3.336 -5.991) 8.952 24.847 ( -0.289 3.195 2.256) 3.922 24.933 ( 2.173 1.117 -1.549) 2.893 25.469 ( 0.667 -1.124 3.467) 3.706 25.633 ( -1.256 -4.120 -0.562) 4.344 25.788 ( -0.165 3.802 0.258) 3.814 25.933 ( 1.254 -0.122 1.165) 1.716 27.180 ( -0.573 2.104 0.461) 2.229 27.547 ( 1.201 -6.331 -0.418) 6.457 27.617 ( 2.787 3.752 0.755) 4.734 28.176 ( -0.001 -10.850 1.536) 10.958 29.611 ( -3.564 -0.703 -1.364) 3.881 29.920 ( -0.081 -10.920 0.454) 10.929 31.263 ( -4.720 16.855 0.545) 17.512 31.572 ( -5.507 7.667 -2.554) 9.779 ======================= Grid point 16 (11/104) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 6.401 15.859 -2.925) 17.351 1.471 ( 1.823 15.043 9.768) 18.028 1.984 ( -4.259 -2.525 -0.338) 4.963 2.235 ( -7.434 1.526 -2.657) 8.041 2.472 ( -4.369 4.448 -1.046) 6.322 2.576 ( -4.534 4.863 1.051) 6.732 2.845 ( -0.833 2.749 0.374) 2.896 2.881 ( -4.071 6.868 -3.732) 8.813 2.952 ( -1.824 3.669 -3.288) 5.253 3.017 ( 0.123 12.561 -3.493) 13.038 3.320 ( 2.649 9.329 2.144) 9.932 3.353 ( 8.551 0.655 0.234) 8.579 3.381 ( 9.496 10.464 0.682) 14.147 3.477 ( -0.457 1.181 2.537) 2.836 3.647 ( -2.603 13.010 7.442) 15.212 3.678 ( -0.157 7.922 -1.398) 8.046 3.726 ( 0.009 1.519 -7.588) 7.739 4.119 ( -6.090 9.688 0.796) 11.471 4.218 ( -4.707 -8.906 2.477) 10.374 4.356 ( -3.094 -6.090 -4.371) 8.110 4.542 ( 0.181 -6.809 2.704) 7.329 4.897 ( -0.737 9.187 3.801) 9.970 5.121 ( 5.190 -0.422 5.464) 7.548 5.225 ( 4.059 -10.654 1.499) 11.499 5.344 ( -0.162 -8.233 -2.841) 8.711 5.752 ( -0.405 -7.537 2.582) 7.977 5.803 ( -0.724 -1.877 2.240) 3.011 5.884 ( -3.714 0.103 -1.979) 4.209 6.338 ( 1.261 5.153 -0.284) 5.312 6.352 ( -6.249 4.376 -3.917) 8.575 6.438 ( 1.732 -4.038 2.590) 5.100 6.845 ( 0.428 9.092 0.196) 9.104 7.097 ( 1.741 -8.946 -7.769) 11.976 7.172 ( 3.417 3.828 1.317) 5.298 7.488 ( 6.083 -4.827 -2.694) 8.220 7.647 ( -1.229 4.033 3.062) 5.211 7.701 ( 2.429 -3.210 0.480) 4.054 7.926 ( -2.531 3.298 2.851) 5.041 8.161 ( 3.163 2.233 -1.768) 4.257 8.230 ( -3.993 -0.097 1.819) 4.389 8.359 ( -5.884 3.619 -7.705) 10.348 8.584 ( 0.009 -2.358 -0.076) 2.359 8.776 ( -1.858 1.364 1.621) 2.818 8.837 ( 5.873 -1.813 14.757) 15.986 8.979 ( -2.035 1.679 -4.308) 5.051 9.147 ( 0.505 -5.660 -5.099) 7.635 9.679 ( -0.942 9.993 6.482) 11.948 9.839 ( -2.816 4.758 -5.867) 8.062 10.119 ( 4.984 -3.850 -3.107) 7.023 10.317 ( -6.983 -7.899 2.974) 10.955 10.720 ( 2.109 6.963 -0.546) 7.296 11.072 ( 1.681 -1.156 -1.062) 2.300 11.373 ( 2.983 4.508 0.416) 5.421 11.516 ( 6.213 0.532 0.201) 6.239 11.722 ( 1.552 1.970 -1.837) 3.109 11.880 ( 2.887 -6.764 2.916) 7.912 12.158 ( -7.766 -0.758 0.559) 7.823 12.517 ( -1.386 -0.792 -1.206) 2.000 12.575 ( -11.804 -13.385 0.307) 17.848 12.860 ( -6.666 1.310 -5.180) 8.543 13.180 ( -3.012 -11.550 -1.098) 11.987 13.243 ( -1.371 -2.858 -1.568) 3.537 13.608 ( -2.032 -3.826 0.520) 4.364 13.660 ( 1.485 2.539 0.888) 3.073 13.809 ( -1.744 4.338 -2.405) 5.258 14.056 ( 0.447 -6.933 -3.023) 7.577 14.285 ( -0.305 1.917 2.317) 3.023 14.642 ( 1.743 5.016 1.002) 5.404 14.875 ( 8.905 0.270 5.259) 10.345 14.962 ( 5.736 -8.640 0.455) 10.381 15.137 ( 0.935 -4.204 -1.767) 4.655 15.310 ( -8.096 -3.618 -1.224) 8.952 16.253 ( 1.015 9.114 -0.957) 9.220 16.296 ( 5.524 -0.218 7.547) 9.355 16.532 ( 4.427 -0.588 5.038) 6.733 16.690 ( -3.746 1.992 -2.777) 5.071 16.893 ( -0.387 0.864 -3.585) 3.708 17.055 ( 0.366 7.555 1.108) 7.644 17.329 ( 5.092 0.385 -0.175) 5.110 17.516 ( -0.148 -0.002 -1.381) 1.389 24.571 ( 3.662 1.183 0.357) 3.865 24.683 ( 0.963 -2.866 -4.002) 5.015 24.864 ( 0.292 3.618 4.010) 5.409 24.953 ( 1.282 2.821 -4.392) 5.375 25.499 ( 0.536 -2.245 2.842) 3.661 25.613 ( -0.521 -4.956 -0.106) 4.985 25.784 ( -0.292 4.284 0.072) 4.295 25.963 ( 1.040 -0.587 1.052) 1.592 27.161 ( -1.297 2.009 0.078) 2.393 27.569 ( 1.028 -4.923 -0.297) 5.038 27.681 ( 3.104 -5.383 0.630) 6.246 28.185 ( 0.054 -13.967 1.746) 14.076 29.533 ( -3.347 1.886 -1.326) 4.065 29.920 ( -0.211 -11.772 0.366) 11.780 31.167 ( -4.662 22.754 0.309) 23.228 31.483 ( -2.575 10.038 -1.629) 10.490 ======================= Grid point 17 (12/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.000 10.306 0.000) 10.306 1.500 ( 0.000 4.107 0.000) 4.107 1.937 ( -0.000 5.629 -0.000) 5.629 2.138 ( 0.000 -0.732 -0.000) 0.732 2.428 ( 0.000 4.597 0.000) 4.597 2.553 ( -0.000 3.002 0.000) 3.002 2.822 ( -0.000 10.177 0.000) 10.177 2.851 ( 0.000 -1.631 0.000) 1.631 2.889 ( 0.000 -4.381 0.000) 4.381 3.004 ( 0.000 15.283 0.000) 15.283 3.347 ( 0.000 13.049 -0.000) 13.049 3.430 ( -0.000 -3.337 0.000) 3.337 3.451 ( 0.000 -4.752 -0.000) 4.752 3.579 ( 0.000 -1.311 0.000) 1.311 3.646 ( 0.000 15.382 0.000) 15.382 3.661 ( -0.000 17.372 0.000) 17.372 3.682 ( 0.000 15.792 -0.000) 15.792 4.050 ( -0.000 10.688 0.000) 10.688 4.229 ( -0.000 -10.243 -0.000) 10.243 4.251 ( 0.000 -9.135 0.000) 9.135 4.558 ( 0.000 -8.230 0.000) 8.230 4.903 ( 0.000 11.566 -0.000) 11.566 5.175 ( 0.000 -2.651 -0.000) 2.651 5.281 ( -0.000 -9.530 0.000) 9.530 5.334 ( 0.000 -4.213 0.000) 4.213 5.736 ( 0.000 -7.906 0.000) 7.906 5.809 ( 0.000 0.106 0.000) 0.106 5.848 ( -0.000 -3.039 -0.000) 3.039 6.280 ( 0.000 7.022 -0.000) 7.022 6.345 ( 0.000 5.005 -0.000) 5.005 6.464 ( 0.000 -4.694 0.000) 4.694 6.857 ( 0.000 8.950 -0.000) 8.950 7.124 ( -0.000 -12.308 0.000) 12.308 7.143 ( 0.000 7.270 -0.000) 7.270 7.591 ( 0.000 -6.577 0.000) 6.577 7.643 ( -0.000 2.436 -0.000) 2.436 7.805 ( 0.000 1.310 0.000) 1.310 7.852 ( -0.000 -6.087 0.000) 6.087 8.182 ( -0.000 3.045 0.000) 3.045 8.187 ( 0.000 3.563 -0.000) 3.563 8.263 ( -0.000 7.944 -0.000) 7.944 8.586 ( 0.000 -2.714 -0.000) 2.714 8.737 ( -0.000 3.513 0.000) 3.513 8.915 ( 0.000 1.667 0.000) 1.667 9.007 ( 0.000 -3.631 -0.000) 3.631 9.112 ( 0.000 -6.797 -0.000) 6.797 9.696 ( 0.000 8.254 -0.000) 8.254 9.786 ( -0.000 6.123 0.000) 6.123 10.200 ( 0.000 -3.001 -0.000) 3.001 10.218 ( -0.000 -9.285 0.000) 9.285 10.739 ( 0.000 7.576 0.000) 7.576 11.085 ( -0.000 -0.119 0.000) 0.119 11.414 ( -0.000 5.735 -0.000) 5.735 11.512 ( 0.000 1.567 -0.000) 1.567 11.832 ( 0.000 0.660 0.000) 0.660 11.943 ( 0.000 -9.844 -0.000) 9.844 12.044 ( -0.000 0.503 0.000) 0.503 12.436 ( 0.000 -13.800 -0.000) 13.800 12.505 ( 0.000 0.060 -0.000) 0.060 12.773 ( 0.000 -1.495 0.000) 1.495 13.147 ( 0.000 -13.542 0.000) 13.542 13.229 ( 0.000 -3.075 -0.000) 3.075 13.591 ( 0.000 -2.766 -0.000) 2.766 13.679 ( 0.000 3.212 0.000) 3.212 13.790 ( 0.000 5.800 -0.000) 5.800 14.051 ( 0.000 -7.276 0.000) 7.276 14.288 ( 0.000 1.221 0.000) 1.221 14.646 ( 0.000 7.310 -0.000) 7.310 14.987 ( -0.000 -10.356 -0.000) 10.356 15.076 ( -0.000 -1.823 -0.000) 1.823 15.097 ( 0.000 -4.260 0.000) 4.260 15.218 ( 0.000 -2.709 -0.000) 2.709 16.228 ( 0.000 8.537 0.000) 8.537 16.435 ( -0.000 1.882 -0.000) 1.882 16.512 ( 0.000 -1.413 0.000) 1.413 16.690 ( -0.000 2.033 0.000) 2.033 16.874 ( 0.000 2.286 0.000) 2.286 17.059 ( 0.000 5.798 0.000) 5.798 17.406 ( 0.000 -3.304 0.000) 3.304 17.483 ( -0.000 6.269 0.000) 6.269 24.625 ( -0.000 -0.185 -0.000) 0.185 24.664 ( 0.000 -1.397 0.000) 1.397 24.882 ( 0.000 3.590 -0.000) 3.590 24.948 ( 0.000 4.182 0.000) 4.182 25.510 ( -0.000 -1.656 -0.000) 1.656 25.610 ( 0.000 -6.408 0.000) 6.408 25.781 ( 0.000 4.687 0.000) 4.687 25.976 ( 0.000 -0.751 0.000) 0.751 27.147 ( 0.000 1.959 -0.000) 1.959 27.578 ( 0.000 -3.824 0.000) 3.824 27.715 ( 0.000 -9.149 -0.000) 9.149 28.191 ( 0.000 -15.830 0.000) 15.830 29.495 ( 0.000 3.128 -0.000) 3.128 29.918 ( 0.000 -12.123 0.000) 12.123 31.122 ( 0.000 24.970 -0.000) 24.970 31.456 ( 0.000 10.149 -0.000) 10.149 ======================= Grid point 21 (13/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.000 20.986 0.000) 20.986 1.840 ( 0.000 20.184 0.000) 20.184 1.961 ( 0.000 -10.603 0.000) 10.603 2.190 ( 0.000 -12.938 0.000) 12.938 2.806 ( 0.000 0.724 0.000) 0.724 2.852 ( 0.000 -3.097 0.000) 3.097 2.979 ( 0.000 1.422 0.000) 1.422 3.018 ( 0.000 -2.002 0.000) 2.002 3.079 ( 0.000 7.359 0.000) 7.359 3.161 ( 0.000 7.859 0.000) 7.859 3.307 ( 0.000 7.305 0.000) 7.305 3.354 ( 0.000 2.905 0.000) 2.905 3.442 ( 0.000 -0.911 0.000) 0.911 3.449 ( 0.000 2.537 0.000) 2.537 3.715 ( 0.000 16.468 0.000) 16.468 3.927 ( 0.000 23.461 0.000) 23.461 4.055 ( 0.000 6.734 0.000) 6.734 4.096 ( 0.000 -15.999 0.000) 15.999 4.244 ( 0.000 -9.065 0.000) 9.065 4.431 ( 0.000 -18.005 0.000) 18.005 4.532 ( 0.000 6.188 0.000) 6.188 4.594 ( 0.000 -5.783 0.000) 5.783 4.817 ( 0.000 -2.378 0.000) 2.378 4.938 ( 0.000 -12.119 0.000) 12.119 5.279 ( 0.000 15.130 0.000) 15.130 5.546 ( 0.000 -9.231 0.000) 9.231 6.039 ( 0.000 3.515 0.000) 3.515 6.043 ( 0.000 4.170 0.000) 4.170 6.290 ( 0.000 1.576 0.000) 1.576 6.336 ( 0.000 -3.180 0.000) 3.180 6.731 ( 0.000 6.760 0.000) 6.760 6.888 ( 0.000 5.254 0.000) 5.254 6.933 ( 0.000 -12.135 0.000) 12.135 6.973 ( 0.000 -2.536 0.000) 2.536 7.508 ( 0.000 1.082 0.000) 1.082 7.592 ( 0.000 -6.731 0.000) 6.731 7.852 ( 0.000 4.876 0.000) 4.876 7.917 ( 0.000 -1.253 0.000) 1.253 8.171 ( 0.000 8.378 0.000) 8.378 8.277 ( 0.000 0.997 0.000) 0.997 8.461 ( 0.000 -4.429 0.000) 4.429 8.495 ( 0.000 -3.942 0.000) 3.942 8.609 ( 0.000 6.931 0.000) 6.931 8.791 ( 0.000 -8.030 0.000) 8.030 9.038 ( 0.000 4.346 0.000) 4.346 9.097 ( 0.000 -1.126 0.000) 1.126 9.917 ( 0.000 7.986 0.000) 7.986 10.012 ( 0.000 0.291 0.000) 0.291 10.040 ( 0.000 3.278 0.000) 3.278 10.232 ( 0.000 -12.528 0.000) 12.528 10.782 ( 0.000 8.347 0.000) 8.347 10.940 ( 0.000 -5.904 0.000) 5.904 11.298 ( 0.000 -0.186 0.000) 0.186 11.310 ( 0.000 -1.480 0.000) 1.480 11.724 ( 0.000 14.495 0.000) 14.495 12.009 ( 0.000 -10.230 0.000) 10.230 12.419 ( 0.000 2.297 0.000) 2.297 12.489 ( 0.000 -4.289 0.000) 4.289 12.739 ( 0.000 -1.058 0.000) 1.058 12.845 ( 0.000 -9.625 0.000) 9.625 13.375 ( 0.000 8.797 0.000) 8.797 13.443 ( 0.000 3.153 0.000) 3.153 13.544 ( 0.000 -7.948 0.000) 7.948 13.591 ( 0.000 -10.591 0.000) 10.591 13.914 ( 0.000 1.138 0.000) 1.138 13.950 ( 0.000 -0.535 0.000) 0.535 14.315 ( 0.000 2.919 0.000) 2.919 14.370 ( 0.000 -1.591 0.000) 1.591 14.578 ( 0.000 9.318 0.000) 9.318 14.778 ( 0.000 -9.088 0.000) 9.088 15.331 ( 0.000 7.778 0.000) 7.778 15.488 ( 0.000 -6.580 0.000) 6.580 15.924 ( 0.000 6.359 0.000) 6.359 16.070 ( 0.000 -7.570 0.000) 7.570 16.732 ( 0.000 15.238 0.000) 15.238 16.826 ( 0.000 0.800 0.000) 0.800 16.904 ( 0.000 -1.260 0.000) 1.260 17.099 ( 0.000 -13.141 0.000) 13.141 17.236 ( 0.000 5.974 0.000) 5.974 17.318 ( 0.000 -1.581 0.000) 1.581 24.538 ( 0.000 0.479 0.000) 0.479 24.554 ( 0.000 -0.814 0.000) 0.814 24.901 ( 0.000 1.854 0.000) 1.854 24.921 ( 0.000 -0.050 0.000) 0.050 25.480 ( 0.000 2.420 0.000) 2.420 25.553 ( 0.000 -4.239 0.000) 4.239 25.860 ( 0.000 2.810 0.000) 2.810 25.905 ( 0.000 -1.349 0.000) 1.349 27.269 ( 0.000 5.659 0.000) 5.659 27.406 ( 0.000 -6.760 0.000) 6.760 27.760 ( 0.000 8.761 0.000) 8.761 27.959 ( 0.000 -9.965 0.000) 9.965 29.653 ( 0.000 2.196 0.000) 2.196 29.743 ( 0.000 -6.272 0.000) 6.272 31.551 ( 0.000 8.639 0.000) 8.639 31.666 ( 0.000 -2.136 0.000) 2.136 ======================= Grid point 22 (14/104) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -9.735 21.976 -4.709) 24.493 1.787 ( -6.057 11.204 3.989) 13.347 1.938 ( -1.519 -5.291 0.356) 5.516 2.157 ( -1.930 -12.443 3.876) 13.175 2.753 ( -9.371 2.239 -1.831) 9.807 2.767 ( -5.012 0.663 0.600) 5.091 2.953 ( -1.975 3.048 -5.010) 6.188 2.992 ( -2.256 0.577 -3.618) 4.303 3.026 ( -3.763 0.887 -2.469) 4.588 3.111 ( -0.812 -5.015 -1.278) 5.239 3.329 ( -4.075 4.048 -0.709) 5.787 3.390 ( -3.413 -0.693 -1.527) 3.803 3.442 ( 14.060 12.938 -2.744) 19.303 3.585 ( 10.891 1.443 -1.947) 11.157 3.736 ( 1.414 14.743 3.151) 15.142 3.943 ( -2.793 15.553 0.171) 15.802 3.983 ( -3.428 11.678 1.649) 12.281 4.092 ( -0.345 -11.528 -1.151) 11.590 4.198 ( -2.242 -8.158 -3.973) 9.347 4.399 ( -3.428 -12.853 1.880) 13.434 4.538 ( 0.380 11.337 3.485) 11.866 4.733 ( 9.975 -8.127 3.232) 13.267 4.868 ( 0.688 -5.776 9.320) 10.986 4.940 ( 1.697 -11.126 4.546) 12.138 5.338 ( 4.948 12.107 -3.076) 13.436 5.568 ( 1.775 -8.632 -0.031) 8.813 5.915 ( -7.135 5.335 1.552) 9.043 5.996 ( -6.178 -0.952 -0.569) 6.277 6.344 ( 2.784 -0.384 -4.452) 5.265 6.354 ( 4.308 0.316 -4.378) 6.150 6.649 ( -6.285 8.586 -0.911) 10.680 6.867 ( -5.350 -11.632 -1.268) 12.866 6.972 ( 4.840 4.955 2.341) 7.312 7.051 ( 8.693 -1.638 2.557) 9.208 7.487 ( -2.004 1.060 0.219) 2.277 7.566 ( -0.090 -5.611 -1.027) 5.705 7.877 ( -3.144 8.844 -2.657) 9.755 7.971 ( 3.758 -0.054 0.460) 3.786 8.125 ( 0.241 2.099 5.963) 6.327 8.218 ( -6.602 -5.804 0.230) 8.794 8.502 ( 4.065 -2.063 -1.447) 4.783 8.520 ( 1.201 -1.692 1.037) 2.320 8.625 ( 2.504 10.314 2.847) 10.989 8.852 ( 1.919 -9.002 6.869) 11.484 9.015 ( -0.924 3.634 -4.403) 5.783 9.078 ( -1.215 -1.716 -3.664) 4.225 9.890 ( -2.972 7.202 2.215) 8.100 9.972 ( -3.381 -0.392 -1.727) 3.817 10.056 ( 1.916 3.773 -1.484) 4.484 10.216 ( -1.943 -10.229 0.408) 10.420 10.815 ( 3.523 7.888 -0.717) 8.669 10.964 ( 2.578 -5.498 -0.920) 6.141 11.340 ( 4.935 0.774 0.307) 5.004 11.370 ( 6.442 -1.754 -0.095) 6.677 11.741 ( 0.613 10.640 3.511) 11.221 11.941 ( -7.676 -6.315 -0.226) 9.943 12.328 ( -8.528 2.384 -0.775) 8.889 12.437 ( -5.225 -7.601 0.077) 9.224 12.651 ( -6.333 1.860 -3.583) 7.510 12.813 ( -2.851 -11.951 -4.159) 12.971 13.272 ( -6.865 6.406 -7.794) 12.203 13.356 ( -9.131 -0.780 -5.821) 10.856 13.515 ( 0.727 -2.751 5.688) 6.360 13.583 ( -0.257 -6.558 2.429) 6.998 13.899 ( -0.645 2.210 -2.747) 3.584 13.962 ( 0.519 -2.859 -1.499) 3.270 14.397 ( 4.134 6.591 1.857) 7.999 14.500 ( 8.641 -2.892 3.707) 9.838 14.673 ( 8.862 5.217 7.989) 13.022 14.809 ( 2.020 -7.187 3.649) 8.310 15.226 ( -6.229 6.928 -6.714) 11.484 15.373 ( -7.963 -6.274 -4.660) 11.157 16.089 ( 11.289 4.064 7.826) 14.325 16.191 ( 8.350 -5.650 6.787) 12.154 16.652 ( -5.302 10.273 -0.158) 11.562 16.778 ( -5.926 -2.957 -1.485) 6.787 16.926 ( 3.883 5.220 -4.527) 7.926 17.118 ( 1.574 -8.565 -3.087) 9.239 17.270 ( 3.198 6.042 1.829) 7.077 17.382 ( 5.358 -3.894 0.842) 6.677 24.552 ( 1.917 1.524 -0.260) 2.462 24.590 ( 3.315 -2.106 -2.054) 4.432 24.911 ( 0.665 2.523 2.157) 3.385 24.943 ( 1.897 -0.387 0.946) 2.155 25.477 ( -0.425 1.882 0.707) 2.055 25.543 ( -0.946 -4.019 -0.197) 4.134 25.863 ( 0.230 3.073 0.253) 3.092 25.914 ( 0.749 -1.686 0.585) 1.936 27.260 ( -0.720 5.415 -0.954) 5.545 27.397 ( -0.395 -7.083 -1.604) 7.273 27.754 ( -0.559 7.927 -0.152) 7.949 27.946 ( -1.375 -10.202 0.411) 10.302 29.635 ( -1.692 2.955 -0.258) 3.415 29.736 ( -0.747 -6.632 0.180) 6.676 31.536 ( -1.567 8.946 0.300) 9.087 31.641 ( -2.144 -0.916 -0.528) 2.390 ======================= Grid point 23 (15/104) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -5.091 17.349 -3.876) 18.491 1.610 ( -11.327 -5.575 0.236) 12.627 1.989 ( 4.381 6.810 4.324) 9.179 2.171 ( -0.822 -7.344 4.154) 8.477 2.556 ( -8.002 4.478 -2.253) 9.442 2.638 ( -7.676 -1.294 -0.726) 7.818 2.848 ( -4.264 0.579 -4.105) 5.948 2.910 ( -5.796 -1.457 -2.497) 6.477 2.963 ( -0.091 4.777 -2.846) 5.562 3.129 ( -0.004 -6.861 0.379) 6.872 3.280 ( 0.622 0.652 -1.655) 1.884 3.331 ( -1.373 -3.270 -0.849) 3.647 3.657 ( 5.712 7.853 -5.032) 10.937 3.675 ( 0.880 8.933 -1.533) 9.106 3.812 ( 3.270 5.704 -6.148) 9.001 3.883 ( 3.897 6.575 4.120) 8.683 3.974 ( -0.905 7.440 5.341) 9.203 4.074 ( -0.303 0.021 -1.514) 1.544 4.194 ( 2.184 -0.546 -0.634) 2.339 4.330 ( -3.783 -1.951 1.733) 4.596 4.519 ( -5.263 10.862 3.689) 12.621 4.889 ( 1.132 -19.247 4.210) 19.735 4.933 ( 6.041 0.573 5.048) 7.893 5.052 ( 4.811 -9.083 3.816) 10.964 5.377 ( 1.467 10.770 -2.909) 11.252 5.584 ( -0.129 -8.445 -1.251) 8.538 5.841 ( -2.389 3.517 3.697) 5.635 5.891 ( -4.354 -0.600 0.568) 4.432 6.366 ( 3.211 2.134 -5.177) 6.455 6.408 ( 2.408 -0.601 -0.896) 2.639 6.540 ( -4.537 9.074 -0.500) 10.157 6.772 ( -2.806 -12.811 -3.475) 13.567 7.073 ( 5.057 8.950 1.703) 10.420 7.265 ( 10.818 -6.226 2.358) 12.702 7.424 ( -5.102 6.180 -0.654) 8.041 7.585 ( 0.704 -6.833 1.736) 7.085 7.775 ( -3.043 7.186 -0.657) 7.831 7.925 ( -6.852 -5.169 -2.490) 8.936 8.197 ( 3.294 1.650 4.336) 5.690 8.213 ( 4.198 1.019 2.135) 4.819 8.496 ( -1.285 3.701 -6.823) 7.868 8.531 ( 0.124 -1.985 -2.322) 3.058 8.760 ( 4.955 2.769 11.750) 13.050 8.870 ( -3.339 -1.360 10.834) 11.418 8.964 ( -2.431 -0.784 -6.514) 6.997 9.026 ( -0.565 -4.383 -7.773) 8.942 9.849 ( -2.381 5.507 2.940) 6.681 9.901 ( -2.530 0.561 -2.388) 3.523 10.084 ( 1.974 1.264 -2.224) 3.231 10.168 ( -3.147 -5.956 0.969) 6.806 10.880 ( 2.947 7.435 -0.420) 8.009 11.012 ( 2.541 -4.628 -0.702) 5.326 11.474 ( 7.496 4.213 1.243) 8.689 11.547 ( 12.250 -0.689 0.351) 12.274 11.750 ( -9.611 0.917 -3.557) 10.289 11.780 ( 2.433 -0.744 2.159) 3.337 12.155 ( -9.301 2.015 1.770) 9.680 12.305 ( -9.784 -11.192 2.907) 15.148 12.531 ( -3.486 3.542 -4.184) 6.496 12.702 ( -5.904 -11.861 -5.203) 14.234 13.115 ( -5.568 3.610 -4.230) 7.869 13.195 ( -4.384 -3.209 -4.315) 6.938 13.556 ( 0.865 0.576 3.791) 3.931 13.623 ( 2.039 -4.257 3.070) 5.631 13.875 ( -0.282 2.932 -2.318) 3.748 13.949 ( -0.599 -3.915 -2.317) 4.588 14.440 ( 0.673 10.470 0.918) 10.532 14.647 ( 5.282 -6.985 1.564) 8.896 14.853 ( 0.179 1.242 2.709) 2.985 14.894 ( 7.575 -1.110 9.148) 11.929 15.123 ( -1.011 2.883 -5.150) 5.989 15.218 ( -5.450 -4.995 -4.289) 8.547 16.313 ( 6.529 1.698 7.291) 9.933 16.346 ( 4.622 -0.403 4.838) 6.703 16.590 ( -1.548 4.869 -0.054) 5.109 16.670 ( -2.892 -2.628 -2.068) 4.421 16.957 ( 1.706 6.287 -4.249) 7.778 17.115 ( -0.065 -5.445 -2.935) 6.186 17.355 ( 4.050 5.642 1.853) 7.188 17.476 ( 3.719 -4.186 0.205) 5.604 24.596 ( 2.550 1.306 -0.508) 2.910 24.631 ( 1.785 -2.031 -1.865) 3.285 24.944 ( 1.251 3.438 2.685) 4.538 24.986 ( 1.896 -0.146 0.260) 1.919 25.475 ( -0.185 0.392 1.042) 1.129 25.520 ( -1.172 -3.589 -0.425) 3.799 25.869 ( 0.236 3.588 0.292) 3.607 25.932 ( 0.692 -2.253 0.587) 2.428 27.236 ( -1.076 5.264 -1.120) 5.488 27.383 ( -0.157 -8.427 -1.546) 8.569 27.743 ( -0.388 6.323 -0.128) 6.337 27.920 ( -1.392 -10.488 0.516) 10.592 29.599 ( -1.603 4.387 -0.230) 4.676 29.721 ( -0.742 -7.273 0.168) 7.312 31.506 ( -1.585 9.767 0.322) 9.900 31.599 ( -1.760 0.714 -0.486) 1.960 ======================= Grid point 24 (16/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 10.870 0.000) 10.870 1.479 ( 0.000 -5.191 -0.000) 5.191 2.069 ( -0.000 5.822 0.000) 5.822 2.139 ( 0.000 -0.456 -0.000) 0.456 2.497 ( 0.000 1.463 0.000) 1.463 2.540 ( -0.000 -2.866 0.000) 2.866 2.793 ( -0.000 -0.960 0.000) 0.960 2.838 ( -0.000 -3.165 0.000) 3.165 2.959 ( 0.000 7.827 0.000) 7.827 3.117 ( 0.000 -3.652 0.000) 3.652 3.298 ( -0.000 -3.269 0.000) 3.269 3.321 ( 0.000 -3.484 -0.000) 3.484 3.654 ( -0.000 10.830 0.000) 10.830 3.664 ( 0.000 5.661 -0.000) 5.661 3.858 ( 0.000 2.416 -0.000) 2.416 3.907 ( -0.000 3.459 0.000) 3.459 4.054 ( 0.000 -2.109 0.000) 2.109 4.080 ( 0.000 -4.565 -0.000) 4.565 4.158 ( -0.000 17.131 0.000) 17.131 4.377 ( -0.000 -8.168 0.000) 8.168 4.407 ( 0.000 22.192 -0.000) 22.192 4.908 ( 0.000 -21.821 -0.000) 21.821 5.012 ( -0.000 1.483 0.000) 1.483 5.100 ( 0.000 -6.153 -0.000) 6.153 5.393 ( 0.000 8.396 -0.000) 8.396 5.570 ( 0.000 -7.796 0.000) 7.796 5.841 ( 0.000 1.455 0.000) 1.455 5.843 ( 0.000 0.943 -0.000) 0.943 6.401 ( 0.000 3.719 -0.000) 3.719 6.423 ( -0.000 1.674 0.000) 1.674 6.492 ( 0.000 7.217 0.000) 7.217 6.737 ( 0.000 -14.137 -0.000) 14.137 7.147 ( 0.000 10.147 -0.000) 10.147 7.337 ( 0.000 5.679 -0.000) 5.679 7.402 ( 0.000 -5.581 -0.000) 5.581 7.581 ( -0.000 -8.449 0.000) 8.449 7.793 ( 0.000 0.131 0.000) 0.131 7.805 ( -0.000 -0.641 -0.000) 0.641 8.263 ( -0.000 3.109 0.000) 3.109 8.270 ( 0.000 3.301 -0.000) 3.301 8.442 ( -0.000 6.797 0.000) 6.797 8.522 ( 0.000 -2.578 -0.000) 2.578 8.819 ( 0.000 3.058 0.000) 3.058 8.889 ( 0.000 -3.979 0.000) 3.979 8.927 ( 0.000 -1.334 -0.000) 1.334 8.980 ( 0.000 -4.743 -0.000) 4.743 9.835 ( 0.000 4.402 -0.000) 4.402 9.869 ( -0.000 1.304 0.000) 1.304 10.104 ( 0.000 -1.387 -0.000) 1.387 10.131 ( -0.000 -2.989 0.000) 2.989 10.906 ( 0.000 7.531 0.000) 7.531 11.037 ( 0.000 -4.413 0.000) 4.413 11.582 ( -0.000 4.875 -0.000) 4.875 11.599 ( 0.000 8.785 0.000) 8.785 11.755 ( 0.000 -6.267 0.000) 6.267 11.807 ( -0.000 -4.411 0.000) 4.411 12.051 ( 0.000 2.121 0.000) 2.121 12.175 ( 0.000 -9.592 -0.000) 9.592 12.490 ( -0.000 0.825 -0.000) 0.825 12.614 ( 0.000 -10.408 0.000) 10.408 13.051 ( -0.000 2.985 -0.000) 2.985 13.148 ( 0.000 -4.797 0.000) 4.797 13.576 ( 0.000 2.076 -0.000) 2.076 13.654 ( 0.000 -3.941 0.000) 3.941 13.868 ( 0.000 2.568 0.000) 2.568 13.933 ( 0.000 -3.953 -0.000) 3.953 14.448 ( 0.000 11.583 0.000) 11.583 14.702 ( 0.000 -10.372 0.000) 10.372 14.853 ( 0.000 6.222 -0.000) 6.222 14.996 ( -0.000 -5.660 -0.000) 5.660 15.103 ( 0.000 2.259 0.000) 2.259 15.156 ( 0.000 -2.854 -0.000) 2.854 16.356 ( 0.000 4.113 0.000) 4.113 16.442 ( -0.000 -4.115 -0.000) 4.115 16.551 ( 0.000 7.036 0.000) 7.036 16.665 ( 0.000 -3.541 -0.000) 3.541 16.960 ( 0.000 6.243 0.000) 6.243 17.103 ( 0.000 -4.636 0.000) 4.636 17.404 ( 0.000 4.817 -0.000) 4.817 17.511 ( -0.000 -3.060 0.000) 3.060 24.625 ( -0.000 0.248 -0.000) 0.248 24.638 ( 0.000 -0.980 0.000) 0.980 24.967 ( 0.000 3.670 -0.000) 3.670 25.005 ( 0.000 0.588 0.000) 0.588 25.479 ( -0.000 -0.719 -0.000) 0.719 25.504 ( 0.000 -3.276 0.000) 3.276 25.873 ( 0.000 3.847 -0.000) 3.847 25.941 ( 0.000 -2.496 0.000) 2.496 27.221 ( 0.000 5.329 -0.000) 5.329 27.378 ( 0.000 -9.438 0.000) 9.438 27.739 ( 0.000 5.563 -0.000) 5.563 27.908 ( 0.000 -10.526 0.000) 10.526 29.583 ( 0.000 5.065 -0.000) 5.065 29.714 ( 0.000 -7.564 0.000) 7.564 31.490 ( 0.000 10.237 -0.000) 10.237 31.580 ( 0.000 1.223 -0.000) 1.223 ======================= Grid point 49 (17/104) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -6.980 0.000 25.546) 26.482 0.558 ( -8.555 0.000 29.486) 30.702 1.056 ( -6.771 0.000 50.670) 51.120 2.163 ( 1.698 0.000 12.641) 12.755 2.346 ( -2.646 0.000 19.219) 19.400 2.500 ( -0.506 0.000 -5.986) 6.007 2.636 ( 2.690 0.000 1.129) 2.917 2.800 ( -3.906 0.000 1.078) 4.052 2.887 ( -10.842 0.000 8.628) 13.856 2.972 ( 4.047 0.000 2.349) 4.679 3.035 ( 3.794 0.000 6.713) 7.711 3.113 ( -1.106 0.000 2.760) 2.974 3.314 ( 2.070 0.000 -4.212) 4.693 3.485 ( -0.439 0.000 -1.093) 1.178 3.504 ( 0.115 0.000 -0.214) 0.243 3.718 ( -2.056 0.000 -5.218) 5.609 3.922 ( 5.258 0.000 5.306) 7.470 4.027 ( -0.867 0.000 5.634) 5.700 4.135 ( 1.488 0.000 -1.828) 2.357 4.146 ( 0.194 0.000 -7.581) 7.583 4.763 ( -0.802 0.000 1.220) 1.460 4.933 ( 3.081 0.000 -7.362) 7.981 5.228 ( 2.718 0.000 -5.902) 6.497 5.435 ( -0.372 0.000 6.043) 6.054 5.762 ( 12.894 0.000 1.124) 12.943 5.781 ( -8.434 0.000 0.752) 8.467 5.982 ( -1.696 0.000 8.498) 8.666 6.004 ( -2.784 0.000 2.679) 3.863 6.314 ( 23.906 0.000 -9.348) 25.668 6.486 ( -1.314 0.000 -1.714) 2.159 6.596 ( 2.470 0.000 -1.008) 2.667 6.607 ( -4.571 0.000 -3.214) 5.588 6.795 ( -2.264 0.000 -3.600) 4.252 7.224 ( 6.440 0.000 4.263) 7.723 7.432 ( -6.030 0.000 -15.025) 16.190 7.580 ( 0.797 0.000 -2.141) 2.284 7.638 ( -1.145 0.000 -1.012) 1.528 7.791 ( 7.851 0.000 6.740) 10.348 8.001 ( -7.276 0.000 -5.858) 9.341 8.270 ( -6.178 0.000 -0.861) 6.238 8.371 ( 1.228 0.000 0.235) 1.250 8.566 ( 7.690 0.000 1.689) 7.874 8.727 ( -4.486 0.000 -1.835) 4.847 8.974 ( 15.035 0.000 15.658) 21.707 8.992 ( -1.797 0.000 3.610) 4.033 9.163 ( -0.743 0.000 -4.081) 4.148 9.574 ( -5.937 0.000 -16.461) 17.499 9.921 ( -27.729 0.000 -0.502) 27.734 10.236 ( -5.366 0.000 1.943) 5.706 10.383 ( 0.158 0.000 2.608) 2.612 10.976 ( 1.744 0.000 1.074) 2.048 11.059 ( 16.455 0.000 1.464) 16.520 11.277 ( -0.400 0.000 -3.815) 3.836 11.413 ( -5.437 0.000 -7.184) 9.009 11.707 ( 1.622 0.000 5.072) 5.325 11.740 ( -21.645 0.000 4.074) 22.025 12.116 ( 3.111 0.000 4.107) 5.152 12.473 ( -2.073 0.000 0.240) 2.087 12.861 ( 0.727 0.000 -2.561) 2.662 13.098 ( 8.483 0.000 -1.535) 8.621 13.285 ( 7.682 0.000 -12.072) 14.309 13.612 ( -0.090 0.000 5.150) 5.151 13.757 ( -14.016 0.000 -10.251) 17.365 13.816 ( 14.723 0.000 -6.808) 16.221 13.945 ( -26.704 0.000 -0.621) 26.711 14.124 ( -29.097 0.000 3.804) 29.345 14.289 ( -1.788 0.000 -1.547) 2.364 14.456 ( 4.474 0.000 8.332) 9.457 14.799 ( -2.483 0.000 3.882) 4.608 15.208 ( 26.437 0.000 -6.778) 27.292 15.337 ( 2.749 0.000 -1.908) 3.346 15.510 ( 24.744 0.000 5.143) 25.273 16.054 ( 12.283 0.000 -2.640) 12.564 16.274 ( -10.832 0.000 -2.908) 11.215 16.359 ( 6.383 0.000 6.604) 9.185 16.411 ( 9.430 0.000 4.170) 10.311 16.644 ( 2.693 0.000 0.964) 2.860 16.913 ( 1.250 0.000 -0.982) 1.590 16.940 ( -5.340 0.000 3.076) 6.163 17.551 ( -1.368 0.000 -1.426) 1.976 24.395 ( -0.134 0.000 1.686) 1.691 24.729 ( -14.229 0.000 -1.739) 14.335 24.904 ( -12.146 0.000 9.424) 15.373 24.921 ( -1.175 0.000 2.620) 2.872 25.677 ( -1.520 0.000 1.713) 2.290 25.769 ( -1.087 0.000 -2.352) 2.591 25.854 ( 0.287 0.000 3.007) 3.021 26.433 ( -43.788 0.000 -2.840) 43.880 27.222 ( 0.224 0.000 5.096) 5.101 27.558 ( -1.930 0.000 2.281) 2.988 28.347 ( 2.046 0.000 -4.961) 5.366 28.422 ( 87.739 0.000 -5.196) 87.893 29.496 ( 0.122 0.000 0.205) 0.239 29.773 ( -0.714 0.000 -0.801) 1.072 30.484 ( -15.774 0.000 -0.470) 15.781 30.716 ( 0.176 0.000 -1.189) 1.202 ======================= Grid point 50 (18/104) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 8.171 0.000 27.277) 28.474 0.853 ( 28.140 0.000 13.358) 31.150 1.239 ( -1.799 0.000 39.792) 39.833 2.219 ( -2.957 0.000 13.990) 14.300 2.425 ( -0.055 0.000 20.016) 20.016 2.458 ( -1.202 0.000 -4.209) 4.377 2.656 ( -5.507 0.000 2.466) 6.034 2.668 ( -9.960 0.000 -0.864) 9.998 2.739 ( -1.908 0.000 7.751) 7.983 2.975 ( -8.444 0.000 1.085) 8.513 3.121 ( 6.893 0.000 5.857) 9.045 3.145 ( -0.380 0.000 8.312) 8.320 3.343 ( 2.953 0.000 -3.080) 4.267 3.447 ( -2.723 0.000 -3.128) 4.147 3.469 ( -4.574 0.000 -1.827) 4.926 3.656 ( 0.153 0.000 -3.954) 3.956 4.001 ( -4.061 0.000 7.641) 8.653 4.008 ( 1.769 0.000 0.487) 1.835 4.136 ( 2.995 0.000 -8.114) 8.649 4.340 ( 16.061 0.000 5.151) 16.866 4.738 ( -2.452 0.000 0.682) 2.545 4.790 ( -11.481 0.000 -9.512) 14.910 5.211 ( -1.822 0.000 -2.978) 3.491 5.462 ( 0.583 0.000 3.539) 3.587 5.586 ( -10.415 0.000 -1.743) 10.560 5.905 ( 2.794 0.000 -0.418) 2.825 6.004 ( -0.590 0.000 7.551) 7.574 6.031 ( 3.193 0.000 1.879) 3.705 6.253 ( -8.382 0.000 3.867) 9.231 6.444 ( -9.484 0.000 -4.301) 10.413 6.488 ( -1.576 0.000 -4.990) 5.233 6.755 ( 2.114 0.000 -2.339) 3.152 6.876 ( 16.386 0.000 -23.760) 28.862 7.253 ( -4.396 0.000 -11.988) 12.769 7.480 ( 14.453 0.000 6.486) 15.842 7.574 ( -2.753 0.000 3.034) 4.097 7.592 ( 2.016 0.000 -0.273) 2.034 7.933 ( 1.614 0.000 -6.475) 6.673 8.019 ( 8.930 0.000 -0.732) 8.960 8.071 ( -11.318 0.000 -1.263) 11.388 8.498 ( 12.255 0.000 2.731) 12.555 8.600 ( -6.374 0.000 -7.821) 10.089 8.732 ( 6.482 0.000 2.296) 6.876 8.893 ( -8.458 0.000 0.213) 8.460 9.056 ( -21.258 0.000 19.818) 29.063 9.211 ( 5.707 0.000 -0.639) 5.743 9.365 ( 4.422 0.000 3.061) 5.378 9.580 ( -6.311 0.000 -7.840) 10.065 10.229 ( 3.750 0.000 1.070) 3.900 10.340 ( -5.035 0.000 3.114) 5.921 11.028 ( 0.663 0.000 1.884) 1.997 11.177 ( -12.814 0.000 6.577) 14.403 11.302 ( 9.410 0.000 -13.661) 16.588 11.342 ( 10.114 0.000 -3.314) 10.643 11.748 ( 5.853 0.000 8.373) 10.216 11.780 ( 2.889 0.000 5.806) 6.485 12.158 ( -3.167 0.000 5.999) 6.784 12.411 ( -3.821 0.000 -1.446) 4.085 12.837 ( -1.826 0.000 -1.807) 2.569 13.208 ( 2.268 0.000 -2.069) 3.070 13.313 ( 5.823 0.000 -12.356) 13.659 13.383 ( -17.215 0.000 -10.649) 20.242 13.444 ( -12.795 0.000 5.743) 14.025 13.654 ( -1.382 0.000 9.683) 9.781 13.968 ( 2.798 0.000 -7.223) 7.746 14.011 ( -2.645 0.000 2.523) 3.655 14.315 ( 4.962 0.000 1.887) 5.308 14.616 ( 3.891 0.000 8.622) 9.460 14.777 ( 3.189 0.000 -0.347) 3.208 15.264 ( 1.078 0.000 -7.906) 7.979 15.414 ( 3.928 0.000 1.835) 4.335 15.640 ( -0.573 0.000 -8.218) 8.238 16.037 ( -11.388 0.000 -4.943) 12.415 16.370 ( 1.091 0.000 12.489) 12.536 16.520 ( 10.852 0.000 -11.245) 15.628 16.583 ( 6.079 0.000 4.674) 7.668 16.688 ( 0.832 0.000 2.627) 2.755 16.885 ( 0.313 0.000 -0.898) 0.951 16.954 ( 3.646 0.000 -1.832) 4.081 17.506 ( -2.205 0.000 -2.161) 3.088 24.443 ( 4.090 0.000 2.100) 4.598 24.591 ( 1.380 0.000 0.923) 1.660 24.886 ( -3.833 0.000 2.389) 4.516 24.912 ( 0.423 0.000 12.568) 12.575 25.642 ( -2.501 0.000 1.297) 2.817 25.709 ( -3.823 0.000 -2.339) 4.482 25.888 ( 1.223 0.000 3.422) 3.634 26.020 ( -10.046 0.000 8.873) 13.403 27.224 ( -2.826 0.000 5.134) 5.860 27.548 ( -0.043 0.000 1.989) 1.989 28.349 ( 2.113 0.000 -6.049) 6.407 28.971 ( -2.175 0.000 -14.730) 14.889 29.508 ( 0.898 0.000 0.353) 0.964 29.834 ( 4.124 0.000 -0.654) 4.175 30.458 ( 8.983 0.000 -4.933) 10.249 30.707 ( -0.435 0.000 -1.269) 1.342 ======================= Grid point 51 (19/104) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 8.789 0.000 23.871) 25.438 1.284 ( -7.054 0.000 21.755) 22.870 1.461 ( 26.208 0.000 12.310) 28.955 2.173 ( -8.828 0.000 9.155) 12.719 2.388 ( -12.237 0.000 12.557) 17.534 2.414 ( -2.314 0.000 -0.600) 2.391 2.473 ( -7.814 0.000 -1.434) 7.944 2.674 ( 2.432 0.000 8.721) 9.054 2.771 ( 0.549 0.000 2.532) 2.591 2.848 ( -5.086 0.000 3.050) 5.930 3.135 ( -3.727 0.000 2.870) 4.703 3.232 ( -0.771 0.000 5.596) 5.649 3.338 ( -3.634 0.000 -0.063) 3.634 3.402 ( -0.277 0.000 0.305) 0.412 3.406 ( 3.314 0.000 0.934) 3.443 3.658 ( 1.716 0.000 -5.631) 5.887 4.002 ( -0.379 0.000 6.792) 6.802 4.032 ( 0.723 0.000 0.060) 0.725 4.169 ( 3.830 0.000 -5.914) 7.046 4.455 ( -16.089 0.000 -10.378) 19.145 4.620 ( 5.940 0.000 7.299) 9.411 4.703 ( 2.260 0.000 -3.330) 4.025 5.144 ( -3.290 0.000 -3.656) 4.919 5.422 ( -5.233 0.000 -1.955) 5.586 5.499 ( 1.670 0.000 2.549) 3.047 5.904 ( -1.045 0.000 -4.054) 4.186 6.005 ( -2.438 0.000 3.462) 4.234 6.102 ( 2.227 0.000 6.787) 7.143 6.153 ( -5.294 0.000 4.121) 6.709 6.265 ( -6.813 0.000 -1.123) 6.905 6.433 ( -0.884 0.000 -3.886) 3.985 6.866 ( 8.358 0.000 -0.095) 8.358 6.953 ( 4.516 0.000 -13.785) 14.506 7.190 ( 3.561 0.000 -11.136) 11.692 7.586 ( 0.895 0.000 5.827) 5.896 7.606 ( 2.570 0.000 0.652) 2.651 7.729 ( 0.038 0.000 1.949) 1.949 7.930 ( 0.353 0.000 -5.315) 5.327 7.991 ( 8.504 0.000 4.359) 9.556 8.108 ( 3.310 0.000 -1.400) 3.594 8.385 ( -12.076 0.000 -8.936) 15.023 8.684 ( -1.322 0.000 4.669) 4.853 8.758 ( -4.634 0.000 -1.037) 4.749 8.814 ( 2.122 0.000 -0.127) 2.126 8.909 ( 2.581 0.000 5.836) 6.381 9.307 ( 3.492 0.000 1.289) 3.723 9.390 ( -4.213 0.000 -2.229) 4.766 9.528 ( 3.609 0.000 0.405) 3.632 10.265 ( -4.002 0.000 2.263) 4.597 10.369 ( 9.919 0.000 0.358) 9.926 10.969 ( -13.735 0.000 7.180) 15.499 11.017 ( -1.744 0.000 1.810) 2.513 11.364 ( 5.425 0.000 -9.642) 11.063 11.559 ( 11.824 0.000 -1.559) 11.927 11.846 ( 0.897 0.000 2.643) 2.791 11.907 ( 6.154 0.000 7.642) 9.812 12.042 ( -9.953 0.000 2.948) 10.380 12.346 ( -1.466 0.000 -0.928) 1.735 12.790 ( -2.075 0.000 -0.869) 2.249 13.053 ( -11.862 0.000 -8.903) 14.831 13.161 ( -1.530 0.000 -14.184) 14.266 13.335 ( 0.519 0.000 -8.332) 8.348 13.451 ( 5.437 0.000 10.277) 11.626 13.694 ( 0.029 0.000 11.742) 11.742 13.954 ( 0.762 0.000 -4.124) 4.194 13.991 ( -0.733 0.000 2.526) 2.630 14.426 ( 4.556 0.000 2.538) 5.215 14.568 ( -5.974 0.000 -0.896) 6.040 15.003 ( 14.097 0.000 4.817) 14.897 15.258 ( 2.209 0.000 -6.476) 6.842 15.416 ( -6.555 0.000 1.783) 6.793 15.591 ( 1.271 0.000 -12.509) 12.573 15.871 ( -2.282 0.000 -4.046) 4.645 16.310 ( -10.410 0.000 10.815) 15.011 16.566 ( 0.148 0.000 -7.245) 7.247 16.656 ( -0.167 0.000 1.895) 1.903 16.709 ( 0.132 0.000 1.854) 1.858 16.960 ( 5.831 0.000 1.639) 6.057 17.025 ( 4.644 0.000 -2.696) 5.370 17.463 ( -1.173 0.000 -0.798) 1.419 24.556 ( 6.334 0.000 2.512) 6.814 24.657 ( 4.333 0.000 -1.508) 4.587 24.805 ( -6.013 0.000 2.423) 6.483 25.008 ( 2.408 0.000 15.903) 16.084 25.610 ( -1.527 0.000 1.552) 2.178 25.631 ( -3.172 0.000 -1.576) 3.542 25.920 ( 0.222 0.000 3.212) 3.220 25.955 ( -2.700 0.000 4.435) 5.192 27.180 ( -3.593 0.000 3.274) 4.861 27.570 ( 0.657 0.000 3.137) 3.205 28.359 ( 2.614 0.000 -8.978) 9.351 28.767 ( -9.743 0.000 -9.188) 13.391 29.527 ( 0.715 0.000 0.395) 0.817 29.869 ( -0.001 0.000 1.527) 1.527 30.591 ( 7.617 0.000 -6.269) 9.865 30.692 ( -0.324 0.000 -1.209) 1.251 ======================= Grid point 52 (20/104) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -14.677 0.000 17.847) 23.107 1.211 ( -3.314 0.000 22.677) 22.917 1.979 ( 22.588 0.000 9.822) 24.631 2.008 ( -9.206 0.000 2.578) 9.560 2.195 ( -16.844 0.000 16.654) 23.687 2.392 ( 1.193 0.000 -1.406) 1.844 2.420 ( 2.218 0.000 1.517) 2.687 2.600 ( -14.597 0.000 2.067) 14.742 2.733 ( -1.979 0.000 -4.296) 4.730 2.829 ( 0.305 0.000 5.572) 5.581 3.056 ( -4.362 0.000 -1.488) 4.609 3.257 ( 3.065 0.000 1.631) 3.472 3.336 ( -0.782 0.000 -0.162) 0.798 3.437 ( 2.310 0.000 4.124) 4.727 3.478 ( 1.609 0.000 12.740) 12.842 3.652 ( 0.979 0.000 -7.334) 7.399 3.844 ( -13.421 0.000 -8.281) 15.770 4.028 ( -1.160 0.000 -0.723) 1.366 4.184 ( 1.719 0.000 -6.754) 6.970 4.415 ( 12.493 0.000 2.942) 12.835 4.601 ( -4.678 0.000 1.210) 4.832 4.788 ( 2.064 0.000 -0.017) 2.064 5.074 ( -0.323 0.000 -7.226) 7.233 5.383 ( 1.626 0.000 -1.568) 2.259 5.510 ( -2.643 0.000 2.814) 3.860 5.849 ( -1.381 0.000 -6.344) 6.493 5.995 ( 0.052 0.000 3.842) 3.842 6.080 ( -4.001 0.000 1.590) 4.305 6.148 ( -2.860 0.000 9.456) 9.879 6.250 ( 6.051 0.000 2.366) 6.497 6.436 ( 1.504 0.000 1.246) 1.953 6.958 ( 2.467 0.000 -10.455) 10.742 6.969 ( 0.955 0.000 1.033) 1.407 7.249 ( 7.556 0.000 -8.457) 11.341 7.633 ( -0.363 0.000 8.318) 8.326 7.651 ( -3.107 0.000 -1.660) 3.523 7.669 ( 1.153 0.000 1.335) 1.764 7.895 ( -0.624 0.000 -5.986) 6.019 8.031 ( -11.917 0.000 -5.037) 12.938 8.155 ( 1.881 0.000 0.299) 1.905 8.348 ( 14.244 0.000 4.094) 14.821 8.613 ( -6.163 0.000 7.324) 9.572 8.714 ( -0.045 0.000 -0.639) 0.640 8.837 ( 1.430 0.000 -0.361) 1.475 8.935 ( -2.143 0.000 -14.239) 14.399 9.341 ( -0.519 0.000 1.487) 1.575 9.375 ( 1.774 0.000 11.141) 11.282 9.610 ( 4.819 0.000 -1.998) 5.216 10.220 ( -1.488 0.000 0.607) 1.607 10.566 ( 10.120 0.000 1.227) 10.194 10.740 ( -13.939 0.000 6.329) 15.309 11.006 ( -0.346 0.000 2.457) 2.482 11.447 ( 7.405 0.000 -5.365) 9.144 11.696 ( 2.267 0.000 0.902) 2.440 11.790 ( -6.625 0.000 -5.002) 8.301 11.841 ( -8.698 0.000 0.335) 8.704 12.089 ( 6.964 0.000 9.064) 11.430 12.372 ( 3.193 0.000 2.320) 3.947 12.770 ( 0.281 0.000 -0.244) 0.373 12.917 ( 3.181 0.000 -7.137) 7.814 13.039 ( -3.907 0.000 -13.433) 13.989 13.294 ( -0.150 0.000 -10.650) 10.651 13.566 ( 0.760 0.000 7.863) 7.899 13.772 ( 2.055 0.000 11.166) 11.354 13.986 ( 4.203 0.000 -0.637) 4.251 14.019 ( 0.990 0.000 8.015) 8.076 14.440 ( -3.786 0.000 -4.091) 5.574 14.503 ( -0.261 0.000 2.200) 2.216 15.217 ( -12.994 0.000 0.491) 13.003 15.254 ( 9.648 0.000 2.205) 9.897 15.282 ( 3.295 0.000 -4.328) 5.440 15.556 ( 2.646 0.000 -19.110) 19.292 15.893 ( 4.157 0.000 0.353) 4.172 16.157 ( -9.972 0.000 8.497) 13.101 16.512 ( -1.581 0.000 -6.459) 6.650 16.616 ( -3.270 0.000 -2.124) 3.899 16.701 ( -1.006 0.000 -1.958) 2.201 17.058 ( 2.082 0.000 5.501) 5.882 17.064 ( 0.379 0.000 -3.094) 3.117 17.470 ( 1.806 0.000 1.546) 2.377 24.647 ( -2.672 0.000 1.467) 3.048 24.718 ( 2.558 0.000 0.178) 2.564 24.732 ( 1.464 0.000 3.729) 4.006 25.171 ( 5.666 0.000 21.991) 22.710 25.574 ( -2.220 0.000 -2.034) 3.011 25.605 ( 0.028 0.000 2.078) 2.079 25.924 ( -1.322 0.000 2.732) 3.035 25.928 ( -2.341 0.000 2.672) 3.552 27.141 ( -1.693 0.000 1.889) 2.536 27.594 ( -0.127 0.000 4.076) 4.077 28.339 ( 1.175 0.000 -16.860) 16.901 28.559 ( -7.356 0.000 -8.914) 11.558 29.533 ( -0.266 0.000 0.276) 0.383 29.860 ( -1.569 0.000 1.343) 2.065 30.687 ( 5.610 0.000 -3.838) 6.797 30.687 ( 0.432 0.000 -1.059) 1.144 ======================= Grid point 53 (21/104) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -18.679 0.000 19.172) 26.767 1.083 ( -20.204 0.000 19.527) 28.099 1.811 ( -34.646 0.000 18.604) 39.325 1.947 ( 1.059 0.000 4.272) 4.401 2.372 ( -6.849 0.000 16.504) 17.868 2.403 ( 14.866 0.000 3.096) 15.185 2.452 ( 5.504 0.000 -2.133) 5.903 2.553 ( 9.813 0.000 2.686) 10.174 2.668 ( -2.046 0.000 -5.717) 6.072 2.892 ( 3.114 0.000 5.667) 6.466 2.983 ( -1.997 0.000 -1.217) 2.339 3.230 ( -7.197 0.000 -0.250) 7.201 3.298 ( 0.999 0.000 -4.431) 4.542 3.505 ( 2.006 0.000 3.760) 4.261 3.529 ( -1.293 0.000 2.198) 2.550 3.627 ( 0.994 0.000 -7.342) 7.409 3.778 ( 6.965 0.000 5.633) 8.958 3.984 ( -2.610 0.000 -2.169) 3.394 4.176 ( 1.018 0.000 -6.358) 6.439 4.469 ( -10.144 0.000 -0.236) 10.147 4.671 ( 11.492 0.000 -3.218) 11.934 4.781 ( -1.547 0.000 1.120) 1.910 5.088 ( 5.532 0.000 -8.265) 9.945 5.445 ( 5.850 0.000 -3.892) 7.026 5.458 ( -3.976 0.000 5.032) 6.413 5.828 ( 1.951 0.000 -1.407) 2.405 6.005 ( -1.905 0.000 5.185) 5.524 6.022 ( -3.376 0.000 1.993) 3.920 6.146 ( -1.955 0.000 6.288) 6.585 6.421 ( 9.004 0.000 3.514) 9.666 6.477 ( 1.152 0.000 3.875) 4.043 6.918 ( -0.611 0.000 -15.488) 15.500 6.920 ( -5.561 0.000 2.175) 5.972 7.381 ( 9.212 0.000 -2.429) 9.527 7.515 ( -11.118 0.000 -4.941) 12.167 7.626 ( -3.829 0.000 -2.411) 4.525 7.632 ( -2.774 0.000 2.909) 4.019 7.859 ( -0.941 0.000 -4.761) 4.853 7.968 ( 6.887 0.000 3.970) 7.949 8.178 ( -0.768 0.000 5.488) 5.541 8.556 ( -3.839 0.000 8.661) 9.474 8.560 ( 5.167 0.000 -1.293) 5.326 8.735 ( 1.949 0.000 0.313) 1.974 8.739 ( -8.053 0.000 -18.969) 20.607 8.897 ( 4.410 0.000 2.999) 5.333 9.308 ( -3.430 0.000 0.717) 3.504 9.529 ( 6.818 0.000 18.612) 19.821 9.671 ( 4.199 0.000 -8.244) 9.252 10.227 ( 2.319 0.000 0.478) 2.368 10.513 ( -12.227 0.000 5.376) 13.357 10.765 ( 8.590 0.000 4.449) 9.674 11.016 ( -0.302 0.000 1.676) 1.703 11.512 ( 0.366 0.000 -8.257) 8.265 11.565 ( -11.684 0.000 -3.688) 12.252 11.706 ( -1.803 0.000 -0.457) 1.860 11.798 ( 5.393 0.000 4.049) 6.744 12.278 ( 8.089 0.000 11.118) 13.749 12.440 ( 2.337 0.000 2.638) 3.524 12.790 ( 2.387 0.000 -1.372) 2.753 12.901 ( -4.278 0.000 -9.909) 10.793 13.100 ( 17.682 0.000 -5.317) 18.465 13.215 ( -2.270 0.000 -12.202) 12.411 13.579 ( -1.604 0.000 5.410) 5.643 13.866 ( 2.786 0.000 11.303) 11.641 14.083 ( -0.334 0.000 12.152) 12.156 14.091 ( 5.962 0.000 -0.004) 5.962 14.362 ( -1.876 0.000 -3.728) 4.173 14.454 ( -6.156 0.000 0.147) 6.158 14.987 ( -10.987 0.000 1.416) 11.078 15.337 ( 3.849 0.000 -1.697) 4.207 15.365 ( 1.743 0.000 -0.960) 1.990 15.454 ( -3.095 0.000 -26.811) 26.989 16.014 ( 7.946 0.000 3.218) 8.573 16.062 ( -3.115 0.000 5.174) 6.039 16.450 ( -1.794 0.000 -7.619) 7.827 16.538 ( -3.601 0.000 -2.622) 4.454 16.653 ( -2.389 0.000 -4.122) 4.764 17.012 ( -3.543 0.000 -3.279) 4.827 17.080 ( -2.853 0.000 6.516) 7.113 17.526 ( 2.486 0.000 1.850) 3.099 24.535 ( -7.069 0.000 1.511) 7.229 24.756 ( 0.992 0.000 2.407) 2.603 24.830 ( 4.285 0.000 3.489) 5.526 25.437 ( 7.023 0.000 9.928) 12.161 25.544 ( 3.204 0.000 16.354) 16.665 25.629 ( 1.290 0.000 2.583) 2.887 25.900 ( -2.537 0.000 2.231) 3.378 25.907 ( -1.138 0.000 8.253) 8.331 27.141 ( 0.698 0.000 1.981) 2.100 27.601 ( -1.358 0.000 4.247) 4.459 28.171 ( -7.476 0.000 -35.126) 35.913 28.430 ( -3.080 0.000 -4.694) 5.614 29.521 ( -1.031 0.000 0.133) 1.039 29.832 ( -1.956 0.000 1.255) 2.324 30.697 ( 1.042 0.000 -0.980) 1.431 30.761 ( 4.146 0.000 -3.942) 5.720 ======================= Grid point 54 (22/104) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -18.974 0.000 22.865) 29.712 0.755 ( -23.002 0.000 21.188) 31.274 1.225 ( -35.692 0.000 32.898) 48.541 2.045 ( 4.595 0.000 8.930) 10.043 2.330 ( -4.942 0.000 17.533) 18.216 2.517 ( 2.179 0.000 -4.218) 4.747 2.592 ( 1.804 0.000 -1.878) 2.604 2.750 ( 11.555 0.000 6.272) 13.147 2.757 ( 8.498 0.000 2.965) 9.000 2.938 ( 0.351 0.000 4.269) 4.284 3.042 ( 6.455 0.000 2.675) 6.987 3.091 ( -7.705 0.000 2.189) 8.010 3.312 ( 2.172 0.000 -5.633) 6.037 3.509 ( -1.640 0.000 -0.778) 1.815 3.512 ( -0.570 0.000 -1.658) 1.753 3.666 ( 5.789 0.000 -2.926) 6.487 3.921 ( -2.955 0.000 -1.544) 3.334 3.953 ( 5.765 0.000 7.108) 9.152 4.170 ( 1.373 0.000 -5.408) 5.579 4.252 ( -11.127 0.000 -0.737) 11.151 4.768 ( -0.575 0.000 1.087) 1.229 4.788 ( 6.593 0.000 -4.617) 8.049 5.169 ( 6.591 0.000 -7.592) 10.054 5.428 ( -2.300 0.000 6.530) 6.923 5.541 ( 6.979 0.000 -4.156) 8.123 5.887 ( -0.263 0.000 4.379) 4.387 5.987 ( -2.873 0.000 7.241) 7.790 5.990 ( 1.791 0.000 5.668) 5.944 6.093 ( -6.647 0.000 4.302) 7.917 6.509 ( -0.107 0.000 4.309) 4.310 6.585 ( 6.744 0.000 1.093) 6.832 6.766 ( -7.186 0.000 -16.643) 18.128 6.841 ( -2.975 0.000 -0.159) 2.979 7.273 ( -10.102 0.000 -2.352) 10.372 7.542 ( 7.939 0.000 -0.399) 7.949 7.572 ( -2.932 0.000 -5.578) 6.302 7.582 ( -0.028 0.000 -2.775) 2.775 7.790 ( -3.601 0.000 -3.866) 5.283 8.166 ( -6.228 0.000 8.162) 10.267 8.181 ( 10.911 0.000 5.221) 12.096 8.449 ( -6.693 0.000 -14.480) 15.952 8.552 ( -2.517 0.000 -3.958) 4.690 8.663 ( 6.349 0.000 13.147) 14.599 8.767 ( 0.265 0.000 1.403) 1.428 8.975 ( 1.461 0.000 2.577) 2.963 9.233 ( -4.144 0.000 -0.965) 4.255 9.665 ( 1.696 0.000 -12.836) 12.948 9.855 ( 17.484 0.000 15.953) 23.668 10.309 ( 5.228 0.000 1.551) 5.453 10.343 ( -8.348 0.000 4.713) 9.587 10.913 ( 3.025 0.000 7.166) 7.778 10.993 ( -2.506 0.000 0.185) 2.513 11.363 ( -7.016 0.000 -3.438) 7.813 11.444 ( -0.795 0.000 -7.347) 7.390 11.681 ( -0.868 0.000 2.584) 2.726 11.975 ( 8.540 0.000 0.159) 8.541 12.352 ( -11.853 0.000 -14.998) 19.116 12.480 ( 0.615 0.000 1.812) 1.914 12.836 ( 3.011 0.000 -2.469) 3.894 12.887 ( 11.258 0.000 3.301) 11.732 13.152 ( 2.930 0.000 -2.312) 3.733 13.453 ( 21.627 0.000 -4.339) 22.058 13.585 ( -0.275 0.000 4.821) 4.829 14.027 ( 2.760 0.000 10.267) 10.632 14.076 ( -8.169 0.000 -11.166) 13.835 14.210 ( 18.779 0.000 30.386) 35.721 14.338 ( -3.834 0.000 0.951) 3.951 14.366 ( 2.240 0.000 4.722) 5.226 14.844 ( -5.749 0.000 3.970) 6.986 15.064 ( -26.722 0.000 -38.660) 46.997 15.344 ( -1.283 0.000 -3.332) 3.571 15.390 ( 1.009 0.000 0.605) 1.177 16.077 ( 0.989 0.000 -1.046) 1.439 16.205 ( 10.120 0.000 3.814) 10.815 16.333 ( -5.903 0.000 -6.910) 9.088 16.444 ( -6.092 0.000 -1.619) 6.303 16.608 ( 0.075 0.000 -0.495) 0.500 16.933 ( -2.597 0.000 -2.402) 3.538 17.026 ( -5.834 0.000 5.859) 8.268 17.562 ( 0.618 0.000 0.382) 0.726 24.432 ( -4.473 0.000 1.500) 4.718 24.782 ( 0.139 0.000 3.688) 3.690 24.903 ( 1.653 0.000 3.057) 3.475 25.305 ( -12.842 0.000 -13.831) 18.873 25.668 ( 1.092 0.000 2.601) 2.821 25.777 ( 1.575 0.000 0.253) 1.595 25.862 ( -2.307 0.000 2.168) 3.166 26.428 ( 52.516 0.000 62.432) 81.582 27.180 ( 1.694 0.000 3.373) 3.774 27.585 ( -2.306 0.000 3.557) 4.239 27.619 ( -33.035 0.000 -45.297) 56.064 28.372 ( -0.980 0.000 -4.415) 4.522 29.503 ( -0.826 0.000 0.104) 0.832 29.804 ( -1.659 0.000 0.784) 1.835 30.711 ( 0.898 0.000 -1.050) 1.382 30.759 ( -3.228 0.000 -10.303) 10.797 ======================= Grid point 55 (23/104) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -10.797 20.033 19.315) 29.849 0.877 ( 6.603 24.141 16.538) 29.998 1.617 ( -9.164 41.970 30.022) 52.410 2.198 ( 1.146 1.876 7.862) 8.163 2.445 ( 0.536 -0.162 -4.395) 4.431 2.647 ( -1.953 18.021 14.677) 23.323 2.763 ( 1.341 10.997 -0.683) 11.100 2.808 ( -7.984 1.642 1.936) 8.378 2.927 ( 2.699 2.454 8.147) 8.926 3.015 ( -3.659 4.629 1.979) 6.223 3.070 ( -2.010 -3.017 0.808) 3.714 3.103 ( 6.307 6.841 5.334) 10.725 3.301 ( -0.514 -0.800 -1.339) 1.642 3.474 ( 2.008 -3.521 -1.274) 4.249 3.500 ( 0.425 1.251 1.158) 1.757 3.598 ( 0.261 -5.220 -1.699) 5.496 3.968 ( -0.555 3.875 -1.583) 4.222 4.117 ( 5.509 5.810 5.179) 9.536 4.193 ( -3.892 3.259 0.310) 5.086 4.387 ( 0.792 16.882 -10.420) 19.855 4.727 ( -4.437 -6.446 -3.564) 8.599 4.759 ( 4.909 -8.588 1.614) 10.023 5.181 ( 3.294 -5.457 -3.065) 7.073 5.298 ( 1.308 -11.606 4.635) 12.565 5.637 ( 4.390 -10.492 3.972) 12.047 5.803 ( -0.680 0.486 0.503) 0.975 5.946 ( 2.096 -5.139 4.124) 6.914 6.035 ( -6.706 2.530 5.530) 9.053 6.174 ( 15.930 -4.994 -1.886) 16.801 6.407 ( -8.596 -4.061 0.952) 9.554 6.590 ( 0.730 7.316 1.171) 7.444 6.624 ( -5.466 0.874 -2.300) 5.994 6.842 ( 0.550 2.954 -5.547) 6.309 7.312 ( -0.358 5.755 -7.494) 9.455 7.432 ( -4.363 -8.320 -2.890) 9.829 7.579 ( -1.876 3.681 -12.198) 12.879 7.705 ( 3.148 2.564 2.243) 4.639 7.906 ( 10.014 6.141 1.591) 11.854 7.980 ( -5.929 -1.490 -3.657) 7.124 8.271 ( 0.158 0.626 -1.510) 1.642 8.386 ( -1.067 1.330 0.879) 1.918 8.563 ( 5.303 -2.534 -1.774) 6.139 8.708 ( -1.564 1.038 1.903) 2.674 8.852 ( 3.862 -3.096 3.347) 5.975 9.107 ( 1.616 -3.147 0.482) 3.571 9.260 ( 0.222 9.768 6.019) 11.476 9.565 ( -8.018 -2.518 -2.085) 8.659 9.782 ( -6.736 -1.559 1.243) 7.025 10.166 ( -2.996 -4.065 3.293) 6.029 10.475 ( -0.001 6.114 1.344) 6.260 10.868 ( 1.115 -10.670 5.785) 12.189 11.034 ( 2.631 -0.224 4.424) 5.151 11.273 ( -1.119 -0.039 -3.154) 3.347 11.320 ( -7.335 -1.530 -0.998) 7.559 11.432 ( 7.934 -2.215 -2.486) 8.604 12.092 ( 0.574 1.712 -1.600) 2.413 12.204 ( -2.079 6.184 -3.813) 7.556 12.641 ( -6.692 6.356 -6.858) 11.499 12.829 ( 1.799 1.982 -5.225) 5.870 13.079 ( 4.675 -5.381 -4.089) 8.218 13.208 ( 4.412 -4.801 -10.666) 12.501 13.546 ( 2.286 -12.243 -0.963) 12.492 13.674 ( -0.644 6.123 3.793) 7.232 13.838 ( -10.566 3.014 -6.114) 12.574 13.994 ( -22.041 -3.371 2.027) 22.389 14.104 ( 0.472 3.836 -1.316) 4.083 14.273 ( -1.156 -6.516 -1.076) 6.704 14.463 ( 6.637 -2.667 6.629) 9.753 14.735 ( 10.161 -13.536 12.364) 20.961 14.899 ( 0.663 -2.048 -2.821) 3.549 15.269 ( 1.150 -7.312 -0.147) 7.403 15.645 ( 18.040 10.282 7.019) 21.919 15.732 ( -8.930 -7.090 4.205) 12.153 16.234 ( 3.696 4.068 6.992) 8.893 16.476 ( 5.925 -4.987 -0.823) 7.788 16.630 ( -0.463 10.637 2.468) 10.930 16.863 ( -1.663 2.639 -4.769) 5.698 16.928 ( 1.352 4.877 -7.290) 8.874 17.087 ( 0.626 11.022 -5.069) 12.148 17.502 ( -0.833 -4.657 -1.399) 4.933 24.439 ( 1.540 3.083 -0.869) 3.555 24.689 ( -12.583 -3.127 1.011) 13.005 24.902 ( -4.474 0.403 9.284) 10.314 24.926 ( -1.608 0.508 3.092) 3.522 25.664 ( -1.211 -3.471 4.074) 5.488 25.731 ( -0.298 -3.441 0.011) 3.454 25.812 ( -2.871 -3.429 5.886) 7.392 26.039 ( -4.700 -12.498 15.062) 20.128 27.219 ( 0.813 -1.149 5.466) 5.644 27.495 ( 5.914 -0.436 3.857) 7.074 27.715 ( 10.069 -11.611 8.180) 17.410 28.293 ( 4.138 -5.099 -4.424) 7.918 29.689 ( -2.413 -2.543 -3.371) 4.863 30.115 ( 5.203 -8.377 -6.713) 11.929 30.949 ( 7.214 17.653 -4.779) 19.660 31.014 ( -6.815 34.227 -28.935) 45.333 ======================= Grid point 56 (24/104) ======================= q-point: ( 0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 2.568 8.162 21.645) 23.275 1.196 ( 15.534 18.273 16.625) 29.182 1.696 ( 0.259 36.468 21.885) 42.531 2.260 ( -0.644 3.920 12.097) 12.733 2.397 ( -3.273 -0.610 -2.388) 4.097 2.627 ( -7.095 6.810 3.887) 10.575 2.635 ( -6.847 2.787 2.937) 7.954 2.814 ( -9.286 8.607 6.878) 14.409 2.833 ( 0.654 9.964 0.752) 10.014 3.048 ( 0.120 2.403 3.074) 3.904 3.133 ( 7.675 1.422 7.851) 11.071 3.172 ( -3.504 4.292 3.461) 6.533 3.292 ( 1.555 -1.088 -0.931) 2.114 3.484 ( 0.544 -0.505 -3.474) 3.553 3.503 ( -1.307 2.475 -0.391) 2.826 3.580 ( -0.958 0.234 0.469) 1.092 3.897 ( -4.721 -4.038 -1.346) 6.357 4.139 ( -2.764 5.070 5.615) 8.054 4.280 ( 4.951 7.036 1.769) 8.783 4.405 ( 8.118 6.286 -4.090) 11.052 4.586 ( -6.788 -7.804 -7.118) 12.556 4.793 ( -1.984 -1.073 2.527) 3.387 5.196 ( -0.952 -2.925 -0.540) 3.123 5.356 ( 2.482 -7.710 0.668) 8.128 5.581 ( -8.508 -3.599 1.408) 9.345 5.856 ( 3.460 -3.444 -2.243) 5.372 5.963 ( -2.595 -3.781 5.475) 7.142 5.984 ( -0.292 -4.662 1.865) 5.030 6.285 ( -4.549 1.767 2.775) 5.614 6.415 ( -5.030 -3.457 -3.623) 7.098 6.526 ( 6.642 -3.278 -10.854) 13.141 6.637 ( 5.650 0.654 4.382) 7.180 6.821 ( 2.174 5.467 -4.969) 7.701 7.261 ( -0.292 1.669 -8.035) 8.212 7.363 ( 1.422 -9.724 -2.434) 10.124 7.599 ( 6.905 2.643 -2.209) 7.716 7.712 ( -2.869 4.047 2.831) 5.712 7.905 ( 0.876 -1.509 -4.285) 4.627 8.097 ( 3.702 4.413 2.264) 6.189 8.128 ( -7.609 5.796 -2.325) 9.843 8.523 ( 6.894 -2.172 2.641) 7.695 8.553 ( -0.577 -2.156 -7.623) 7.943 8.717 ( 2.500 -0.379 3.191) 4.071 8.874 ( -4.894 -0.030 -1.407) 5.092 9.139 ( 0.254 -3.708 5.170) 6.367 9.203 ( -9.975 6.051 9.694) 15.169 9.485 ( 3.107 9.022 -0.271) 9.546 9.636 ( -4.310 4.626 -9.714) 11.590 10.162 ( 1.008 -3.794 3.613) 5.335 10.446 ( -2.603 7.095 1.130) 7.641 10.896 ( -3.313 -12.845 8.162) 15.575 11.092 ( -1.392 -4.217 3.616) 5.727 11.259 ( 3.887 0.489 -2.944) 4.900 11.344 ( 9.142 -0.547 -4.168) 10.063 11.553 ( 6.089 -1.546 -4.373) 7.654 12.080 ( -1.273 -0.763 5.904) 6.088 12.169 ( -1.736 6.661 -0.296) 6.890 12.500 ( -6.239 6.307 -3.436) 9.514 12.811 ( -1.555 -0.556 -2.307) 2.837 13.006 ( -6.581 -13.055 -8.824) 17.076 13.289 ( 5.283 -3.070 -8.693) 10.625 13.400 ( -8.054 -2.557 5.624) 10.151 13.588 ( -7.649 8.858 -7.926) 14.135 13.698 ( -2.052 3.441 5.539) 6.836 13.795 ( -5.146 -5.046 2.577) 7.654 14.102 ( 0.411 -0.880 -4.621) 4.722 14.316 ( 5.127 -0.941 2.611) 5.831 14.594 ( 0.834 0.245 5.509) 5.577 14.769 ( 3.466 -0.148 -0.036) 3.469 15.102 ( 10.947 -16.452 2.165) 19.879 15.257 ( -0.131 -9.980 -1.234) 10.057 15.543 ( -8.342 -3.166 -2.556) 9.282 15.995 ( 5.528 5.284 3.100) 8.252 16.354 ( 5.487 -0.862 8.800) 10.406 16.575 ( 4.388 -4.922 0.621) 6.623 16.609 ( -2.915 7.949 2.267) 8.765 16.853 ( -0.344 6.346 -4.905) 8.028 16.888 ( 1.395 2.225 -3.996) 4.782 17.088 ( 2.886 9.254 -3.177) 10.201 17.490 ( -0.022 -2.073 -3.704) 4.245 24.484 ( 3.197 2.853 0.226) 4.291 24.593 ( 1.666 0.159 0.763) 1.839 24.899 ( -3.181 1.223 2.179) 4.045 24.930 ( 0.308 1.607 11.826) 11.938 25.626 ( -3.331 -1.750 1.305) 3.983 25.723 ( -1.058 0.256 -1.347) 1.732 25.794 ( -1.664 -5.621 6.815) 8.989 26.010 ( -2.625 -0.803 6.358) 6.925 27.221 ( -2.862 -0.446 4.485) 5.339 27.553 ( 1.003 0.880 2.047) 2.443 27.992 ( 9.094 -28.803 4.431) 30.528 28.389 ( 7.358 -12.361 -3.215) 14.740 29.580 ( -6.080 -0.188 -3.707) 7.124 30.172 ( 3.733 -13.902 -5.637) 15.459 30.673 ( -12.775 37.033 -9.056) 40.208 31.047 ( 5.115 20.322 -9.207) 22.889 ======================= Grid point 57 (25/104) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 7.666 0.172 18.684) 20.196 1.514 ( 4.806 9.001 20.723) 23.099 1.799 ( 5.083 25.061 6.122) 26.294 2.178 ( -10.722 4.487 6.561) 13.347 2.402 ( 0.972 -0.990 3.686) 3.939 2.483 ( -5.529 4.135 -0.542) 6.926 2.586 ( -2.417 3.217 4.137) 5.771 2.652 ( -8.133 13.906 7.053) 17.586 2.874 ( 1.555 7.767 1.929) 8.153 3.036 ( -8.955 -2.808 -0.031) 9.385 3.079 ( 1.139 6.736 2.400) 7.241 3.287 ( 2.393 3.456 -3.405) 5.410 3.391 ( 7.078 5.799 13.129) 16.003 3.414 ( -5.347 4.921 -2.333) 7.633 3.496 ( 1.387 1.543 -3.516) 4.083 3.575 ( -0.249 1.026 1.198) 1.597 3.843 ( 0.130 -10.531 2.988) 10.947 4.089 ( -8.044 2.904 4.626) 9.724 4.305 ( 1.425 5.853 -6.214) 8.654 4.406 ( -4.718 -2.706 -3.310) 6.367 4.614 ( 6.905 -0.209 3.468) 7.730 4.736 ( -3.700 2.285 -0.283) 4.358 5.148 ( -2.601 0.664 -4.404) 5.157 5.360 ( -1.203 -4.932 -2.676) 5.739 5.482 ( -1.606 -2.325 2.648) 3.872 5.843 ( -1.489 -4.850 -5.465) 7.457 5.954 ( -2.906 -5.196 3.070) 6.699 5.992 ( 0.825 -6.559 4.141) 7.800 6.256 ( -6.894 0.384 1.051) 6.984 6.257 ( -1.550 5.545 4.375) 7.231 6.525 ( 1.442 4.282 -8.489) 9.617 6.743 ( 0.836 -3.676 4.555) 5.912 6.923 ( 8.981 0.647 -6.269) 10.971 7.257 ( 4.116 2.016 -6.509) 7.961 7.466 ( 8.805 -8.138 -2.743) 12.300 7.676 ( -1.852 1.557 2.745) 3.659 7.733 ( 2.962 0.724 1.121) 3.248 7.893 ( 0.890 -0.190 -1.256) 1.552 8.041 ( 2.498 4.566 0.963) 5.293 8.167 ( 2.406 3.902 2.048) 5.021 8.343 ( -11.989 -3.535 -7.026) 14.338 8.663 ( -0.860 -1.906 2.669) 3.390 8.751 ( -4.974 0.269 -0.919) 5.065 8.781 ( 2.716 -0.505 -2.425) 3.676 9.085 ( -1.437 9.697 5.623) 11.301 9.238 ( 3.218 -4.998 2.118) 6.310 9.458 ( -3.490 5.735 -5.519) 8.691 9.619 ( 3.923 6.374 -0.842) 7.532 10.212 ( 1.452 -3.631 3.074) 4.974 10.435 ( 1.660 4.456 0.666) 4.801 10.822 ( -8.571 -9.115 9.438) 15.672 11.062 ( -1.754 0.810 0.378) 1.968 11.342 ( 5.366 -1.960 -3.271) 6.582 11.466 ( 4.676 -2.240 -3.507) 6.259 11.699 ( 10.727 -3.718 -0.362) 11.359 12.030 ( -5.907 -2.576 1.495) 6.616 12.157 ( -1.984 5.905 3.183) 6.995 12.389 ( -2.310 5.481 -2.439) 6.429 12.750 ( -3.944 -6.878 -4.524) 9.128 12.828 ( -6.051 -7.474 -4.491) 10.613 13.241 ( -1.574 -1.916 -9.220) 9.547 13.405 ( -1.667 -1.388 -4.813) 5.279 13.499 ( 3.711 7.916 3.703) 9.495 13.705 ( -0.646 -1.335 6.764) 6.925 13.745 ( -2.183 -3.315 4.189) 5.771 14.109 ( 2.272 -0.087 -2.128) 3.115 14.408 ( 1.032 -3.895 2.492) 4.738 14.536 ( -2.622 1.034 -1.014) 2.996 14.962 ( 11.983 -2.983 2.868) 12.678 15.196 ( 0.253 -6.168 -4.603) 7.700 15.285 ( 0.951 -16.880 -1.020) 16.938 15.390 ( -6.382 -1.666 1.670) 6.804 16.009 ( 0.584 9.644 -2.780) 10.054 16.445 ( -0.211 -0.016 3.714) 3.720 16.516 ( -7.284 6.685 0.113) 9.887 16.634 ( 1.301 -1.465 0.224) 1.972 16.814 ( -0.672 2.397 -2.536) 3.554 16.955 ( 4.824 2.580 0.439) 5.489 17.163 ( 5.702 9.781 -2.752) 11.651 17.460 ( -1.038 -0.670 -2.122) 2.455 24.572 ( 5.330 1.241 2.223) 5.907 24.656 ( 3.600 -0.209 -0.889) 3.714 24.831 ( -4.836 2.510 1.678) 5.701 25.015 ( 1.839 0.756 14.670) 14.804 25.574 ( -2.597 -1.548 0.484) 3.062 25.690 ( -1.462 3.062 -0.814) 3.490 25.806 ( -0.751 -6.515 4.965) 8.226 26.002 ( -1.246 1.210 3.091) 3.545 27.177 ( -3.280 -0.202 2.840) 4.343 27.582 ( 0.743 1.200 3.013) 3.327 28.084 ( 1.593 -22.229 -1.716) 22.352 28.460 ( 1.853 -16.372 -7.189) 17.976 29.481 ( -2.560 0.301 -0.413) 2.610 30.188 ( 1.205 -13.584 -7.219) 15.430 30.495 ( -4.456 32.157 0.444) 32.467 31.081 ( 2.963 18.309 -6.105) 19.526 ======================= Grid point 58 (26/104) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -4.329 2.178 17.349) 18.013 1.466 ( -17.591 7.359 12.829) 22.982 1.920 ( 2.839 -0.206 4.619) 5.426 2.156 ( 6.386 12.587 7.982) 16.215 2.383 ( -1.733 -0.746 -0.769) 2.037 2.446 ( 1.477 3.616 -0.390) 3.926 2.531 ( -4.424 18.188 10.755) 21.588 2.657 ( -1.040 13.769 8.628) 16.282 2.867 ( -6.071 4.522 -2.207) 7.885 2.916 ( 1.474 5.785 -0.121) 5.971 3.102 ( -2.181 8.370 1.726) 8.820 3.234 ( -0.998 -0.510 -4.353) 4.495 3.363 ( -1.104 2.895 -2.266) 3.839 3.476 ( -1.545 0.320 -1.043) 1.891 3.521 ( 1.578 -2.798 0.458) 3.245 3.609 ( 0.665 8.076 12.002) 14.481 3.843 ( -9.384 1.325 -1.557) 9.604 3.960 ( 3.204 -4.399 2.639) 6.048 4.312 ( 0.826 5.502 -4.047) 6.880 4.400 ( 5.335 -3.327 0.002) 6.287 4.637 ( -4.320 5.211 -1.053) 6.850 4.709 ( 0.448 -6.630 0.796) 6.692 5.079 ( -0.730 0.482 -8.226) 8.273 5.361 ( 2.676 -1.414 -1.872) 3.559 5.467 ( -2.836 -3.942 2.797) 5.604 5.793 ( -0.146 -4.445 -6.470) 7.851 5.933 ( -0.077 -5.775 3.596) 6.804 5.992 ( -2.798 -7.025 0.596) 7.585 6.207 ( -0.823 4.702 8.299) 9.574 6.281 ( 2.222 3.468 3.789) 5.597 6.530 ( 2.349 3.735 -4.081) 6.010 6.755 ( -1.736 -5.171 3.800) 6.648 7.014 ( 3.548 1.753 -5.227) 6.556 7.333 ( 5.577 1.819 -2.332) 6.313 7.577 ( 1.622 -5.075 0.290) 5.336 7.670 ( 0.455 0.072 1.118) 1.209 7.708 ( -2.110 4.136 -1.710) 4.948 7.871 ( -5.053 -3.244 -4.909) 7.756 8.089 ( -5.310 5.072 -4.264) 8.491 8.163 ( 2.643 0.950 -0.599) 2.871 8.304 ( 10.933 -1.914 8.662) 14.079 8.614 ( -3.989 0.502 1.733) 4.378 8.697 ( -1.565 -1.264 -0.038) 2.012 8.787 ( 0.884 -1.448 -2.977) 3.426 9.029 ( -3.737 3.191 -9.597) 10.782 9.333 ( 2.754 -0.420 6.148) 6.750 9.413 ( -0.073 4.114 4.555) 6.138 9.687 ( 3.891 5.386 -2.797) 7.209 10.226 ( -0.619 -0.125 0.393) 0.744 10.509 ( 4.104 -5.794 4.290) 8.296 10.692 ( -8.611 -0.895 6.131) 10.609 11.054 ( 0.495 2.709 1.002) 2.931 11.420 ( 3.599 -3.565 -1.538) 5.294 11.518 ( 2.339 -4.628 1.035) 5.288 11.747 ( -5.462 -1.795 -6.525) 8.697 11.944 ( -4.886 4.470 -2.460) 7.064 12.156 ( 3.780 -3.569 4.085) 6.611 12.412 ( 4.194 5.393 0.981) 6.902 12.676 ( 2.618 -14.164 -7.355) 16.174 12.785 ( 0.716 1.429 1.259) 2.034 13.149 ( -2.795 3.292 -8.150) 9.223 13.352 ( 0.372 1.041 -10.591) 10.649 13.596 ( 1.028 1.929 6.089) 6.469 13.746 ( 1.060 -4.756 4.022) 6.318 13.773 ( 2.915 -3.086 11.885) 12.620 14.158 ( 2.881 1.585 1.529) 3.626 14.353 ( -3.747 -6.396 -3.089) 8.031 14.554 ( 1.153 3.879 2.291) 4.650 15.069 ( -8.375 -11.449 -7.393) 15.996 15.179 ( 7.457 -6.021 0.420) 9.593 15.257 ( 0.138 -4.018 -1.811) 4.410 15.338 ( -2.600 -7.010 1.838) 7.700 16.049 ( 4.162 8.131 -1.037) 9.193 16.361 ( -7.329 10.551 -0.001) 12.847 16.421 ( -2.410 -1.012 -5.226) 5.844 16.613 ( -3.042 1.310 -1.570) 3.665 16.804 ( 1.154 2.789 -2.102) 3.678 17.037 ( 1.985 0.436 3.631) 4.161 17.214 ( 0.512 10.728 -3.920) 11.433 17.465 ( 2.252 -0.912 1.171) 2.697 24.644 ( -2.368 -0.173 1.676) 2.906 24.715 ( 4.386 -0.382 2.568) 5.097 24.769 ( -1.039 3.342 1.046) 3.653 25.146 ( 3.377 -1.996 18.876) 19.279 25.534 ( -1.783 -1.744 -0.917) 2.657 25.668 ( -0.706 3.079 0.277) 3.172 25.806 ( -1.547 -5.749 3.928) 7.133 25.985 ( -1.816 1.308 1.598) 2.750 27.143 ( -1.331 0.356 1.838) 2.297 27.605 ( -0.230 1.011 3.765) 3.905 28.052 ( -3.172 -19.874 -6.734) 21.222 28.399 ( -2.429 -12.157 -10.840) 16.469 29.485 ( 2.163 -0.522 2.233) 3.152 30.151 ( -0.683 -6.199 -8.225) 10.322 30.485 ( 1.714 22.254 2.995) 22.520 31.108 ( 3.014 17.454 -4.842) 18.362 ======================= Grid point 59 (27/104) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -15.748 4.342 19.221) 25.225 1.127 ( -21.032 7.890 11.398) 25.189 1.981 ( -0.786 10.614 8.773) 13.792 2.309 ( -8.145 13.777 2.204) 16.156 2.352 ( 4.094 1.267 2.230) 4.831 2.456 ( -1.625 11.998 15.393) 19.584 2.583 ( 2.431 9.149 1.128) 9.533 2.650 ( 6.617 13.963 6.152) 16.632 2.819 ( -0.264 10.343 -2.225) 10.583 2.948 ( 2.107 1.896 -1.606) 3.258 3.049 ( -1.429 10.845 3.216) 11.401 3.248 ( 1.153 -1.843 -3.199) 3.868 3.286 ( -5.127 3.151 1.640) 6.237 3.476 ( 0.643 -1.909 2.544) 3.245 3.520 ( 1.170 -7.183 -5.806) 9.310 3.570 ( -5.254 3.073 0.621) 6.119 3.853 ( 6.708 5.936 6.144) 10.862 3.995 ( -0.909 4.109 -0.863) 4.296 4.282 ( -2.008 -0.373 -0.976) 2.263 4.521 ( -3.867 9.676 -4.988) 11.553 4.552 ( 7.191 -9.416 -3.084) 12.243 4.732 ( 1.153 -4.301 3.702) 5.791 5.056 ( 3.115 -3.492 -8.740) 9.914 5.383 ( -3.052 -5.806 1.958) 6.846 5.450 ( 3.168 -0.792 -1.208) 3.482 5.789 ( 2.456 -3.558 -3.039) 5.285 5.919 ( -4.327 -6.440 1.337) 7.874 5.977 ( 1.584 -4.302 3.680) 5.878 6.229 ( -2.189 5.725 6.711) 9.088 6.387 ( 6.113 0.353 3.784) 7.198 6.562 ( 2.123 -0.041 -1.269) 2.474 6.719 ( -3.070 -3.498 2.253) 5.170 6.992 ( -3.617 3.414 -5.489) 7.407 7.423 ( 3.861 1.795 0.140) 4.260 7.540 ( -4.300 -2.122 -2.828) 5.567 7.561 ( -7.595 -0.482 0.477) 7.625 7.714 ( 0.471 1.881 0.497) 2.001 7.787 ( 1.709 -3.697 -5.855) 7.132 8.085 ( 3.109 8.302 -1.516) 8.994 8.193 ( 1.073 0.267 3.779) 3.938 8.521 ( 2.127 -4.977 -0.890) 5.485 8.548 ( 0.291 1.157 1.992) 2.322 8.633 ( -4.144 -2.530 -5.985) 7.707 8.809 ( 2.537 0.690 -0.927) 2.788 8.954 ( 0.466 3.336 -0.961) 3.503 9.339 ( -1.971 4.102 0.020) 4.551 9.511 ( 3.521 -2.356 15.344) 15.918 9.728 ( 3.277 4.900 -7.355) 9.425 10.213 ( -0.495 -1.495 0.180) 1.585 10.513 ( -6.733 -2.302 6.200) 9.438 10.686 ( 5.593 -2.364 4.700) 7.678 11.069 ( -0.068 2.752 0.768) 2.858 11.405 ( -4.242 -7.496 0.703) 8.642 11.514 ( -7.239 -3.658 -4.092) 9.085 11.620 ( -1.433 0.355 -5.213) 5.418 11.874 ( 2.699 2.954 -0.379) 4.019 12.245 ( 2.126 -3.707 3.018) 5.232 12.543 ( 8.858 2.295 2.662) 9.530 12.770 ( 8.764 -11.223 -7.378) 16.037 12.852 ( 5.342 5.723 1.892) 8.054 13.090 ( 0.639 3.812 -7.246) 8.212 13.317 ( 2.434 2.161 -9.725) 10.255 13.601 ( -1.467 2.263 3.961) 4.792 13.815 ( 3.069 -3.045 8.855) 9.854 13.904 ( 3.322 -7.512 10.813) 13.579 14.218 ( 2.160 2.695 1.256) 3.675 14.295 ( -0.517 -5.494 -0.978) 5.604 14.532 ( -4.391 5.022 -0.171) 6.673 14.842 ( -11.376 -11.483 -6.158) 17.298 15.207 ( -4.138 -10.854 -1.866) 11.765 15.243 ( -0.530 -6.781 -2.434) 7.224 15.374 ( 5.202 -0.065 -0.568) 5.233 16.112 ( 1.800 6.901 1.318) 7.252 16.219 ( -9.514 -2.550 -0.695) 9.875 16.359 ( 1.219 9.547 -9.825) 13.753 16.554 ( -1.043 2.262 -0.489) 2.538 16.833 ( 3.190 4.868 -2.812) 6.463 17.046 ( -2.855 0.871 2.822) 4.108 17.164 ( -3.029 9.445 -2.665) 10.270 17.524 ( 2.444 -0.585 0.582) 2.580 24.550 ( -6.365 1.296 1.390) 6.642 24.777 ( 0.566 1.752 2.184) 2.856 24.823 ( 3.987 -0.721 3.855) 5.593 25.304 ( 0.949 -11.024 16.447) 19.822 25.500 ( -0.639 -2.001 4.008) 4.525 25.674 ( 0.987 1.733 2.733) 3.383 25.792 ( -2.069 -3.844 4.751) 6.452 25.954 ( -2.130 1.040 1.539) 2.826 27.148 ( 0.651 0.674 1.892) 2.111 27.603 ( -2.187 0.525 2.908) 3.676 27.876 ( -10.532 -16.295 -13.153) 23.440 28.310 ( -1.320 -8.248 -8.475) 11.899 29.568 ( 5.285 -0.160 1.946) 5.634 30.098 ( -0.305 -1.383 -8.181) 8.302 30.575 ( 6.888 19.589 1.072) 20.792 31.145 ( 3.627 17.394 -5.955) 18.739 ======================= Grid point 60 (28/104) ======================= q-point: (-0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -11.228 14.434 18.191) 25.794 0.898 ( -12.841 17.058 20.518) 29.612 1.825 ( -23.624 39.043 20.970) 50.222 2.152 ( -0.161 4.928 1.928) 5.294 2.426 ( 3.154 -0.952 -3.235) 4.617 2.566 ( 1.764 14.346 17.262) 22.514 2.739 ( 7.064 7.405 1.103) 10.294 2.802 ( 1.265 10.095 1.174) 10.242 2.817 ( 7.344 5.775 3.028) 9.821 2.970 ( 0.670 0.946 2.801) 3.031 3.075 ( -0.114 4.385 2.060) 4.846 3.156 ( -6.350 5.997 2.631) 9.122 3.296 ( 1.752 -0.528 -1.266) 2.226 3.460 ( -0.223 -4.985 -3.637) 6.174 3.505 ( -1.771 -0.676 0.379) 1.933 3.566 ( 3.687 -5.533 -1.144) 6.746 3.961 ( 0.285 7.201 -1.762) 7.419 4.007 ( 5.133 4.049 4.132) 7.734 4.246 ( -2.170 0.000 2.643) 3.419 4.435 ( -1.261 17.643 -7.285) 19.130 4.643 ( 5.432 -10.262 -3.186) 12.040 4.767 ( 0.293 -2.220 1.164) 2.524 5.114 ( 6.673 -6.918 -7.704) 12.318 5.313 ( -5.190 -10.521 4.670) 12.627 5.517 ( 4.892 -3.402 -1.803) 6.225 5.848 ( -2.228 -0.936 1.569) 2.881 5.856 ( 2.149 -7.992 5.477) 9.924 6.024 ( 2.309 -1.282 1.874) 3.239 6.164 ( -7.658 5.557 5.626) 11.008 6.496 ( 2.119 -2.650 1.946) 3.912 6.573 ( -0.822 -3.794 -1.282) 4.088 6.695 ( -0.721 5.905 -0.101) 5.949 6.863 ( -4.043 0.933 -3.520) 5.441 7.368 ( -3.008 6.574 -6.722) 9.872 7.499 ( -1.227 -6.372 -2.117) 6.826 7.588 ( 5.973 3.567 3.219) 7.666 7.677 ( -1.403 3.133 -4.611) 5.748 7.807 ( 1.600 0.070 -6.450) 6.646 8.109 ( -1.903 -1.502 4.658) 5.251 8.250 ( -0.909 3.108 0.422) 3.266 8.385 ( -0.272 -4.179 -6.773) 7.963 8.552 ( -2.267 -0.989 -3.001) 3.889 8.646 ( 4.531 1.784 -0.278) 4.877 8.840 ( -1.289 0.390 4.537) 4.733 9.018 ( 4.618 1.717 3.761) 6.198 9.287 ( -3.203 6.979 -0.112) 7.680 9.634 ( 0.627 -9.303 5.952) 11.062 9.767 ( 4.411 3.344 0.744) 5.586 10.203 ( -1.906 -4.917 2.724) 5.935 10.454 ( -0.777 4.868 2.243) 5.416 10.809 ( 3.021 -6.534 6.827) 9.921 11.043 ( -2.813 1.544 0.351) 3.228 11.326 ( -2.671 -4.507 -1.434) 5.431 11.374 ( -3.925 -1.326 -0.292) 4.153 11.502 ( -7.689 -4.378 -5.314) 10.321 12.013 ( 7.930 2.555 -0.162) 8.333 12.262 ( -0.631 -1.246 -2.459) 2.828 12.714 ( 5.212 -6.380 0.463) 8.251 12.839 ( 1.821 6.280 -12.814) 14.386 12.975 ( 7.529 6.982 -6.751) 12.289 13.112 ( 7.746 -2.627 -0.915) 8.231 13.402 ( 9.265 -5.210 -4.354) 11.486 13.628 ( 1.659 6.070 6.719) 9.206 13.946 ( 0.010 -3.163 5.306) 6.177 14.007 ( 10.037 -7.880 13.826) 18.815 14.206 ( -2.721 4.123 -3.231) 5.902 14.293 ( -3.061 -5.512 1.766) 6.548 14.481 ( -1.077 0.203 2.503) 2.732 14.588 ( -10.539 -14.739 -3.715) 18.496 15.057 ( -10.480 0.480 -3.707) 11.127 15.220 ( 0.664 -6.891 -1.706) 7.130 15.454 ( 3.385 4.521 0.798) 5.704 15.972 ( -14.854 -6.773 -1.258) 16.374 16.151 ( 1.673 6.386 4.335) 7.898 16.382 ( 4.809 2.042 -4.318) 6.778 16.588 ( 3.561 7.129 0.091) 7.969 16.891 ( 4.567 5.336 -4.602) 8.397 16.964 ( -5.420 3.656 -2.378) 6.957 17.106 ( -1.696 9.485 -1.533) 9.757 17.537 ( -1.049 -2.867 -0.944) 3.196 24.458 ( -3.540 2.213 0.718) 4.236 24.791 ( -0.765 0.538 3.177) 3.311 24.896 ( 1.713 -0.796 3.589) 4.055 25.168 ( -16.510 -12.537 -2.944) 20.939 25.615 ( 2.420 -8.336 12.802) 15.467 25.734 ( 1.618 -3.402 1.305) 3.987 25.802 ( -0.688 -4.422 13.638) 14.354 25.960 ( 1.649 -5.957 12.265) 13.735 27.174 ( 0.704 -0.057 2.684) 2.776 27.487 ( -8.521 2.402 -6.092) 10.746 27.667 ( -3.752 -2.262 0.188) 4.385 28.273 ( 1.036 -5.949 -5.871) 8.422 29.675 ( 4.613 -1.696 -0.458) 4.937 30.074 ( 2.524 -1.709 -8.152) 8.703 30.754 ( 13.103 23.175 -5.196) 27.125 31.164 ( 2.415 19.575 -13.885) 24.120 ======================= Grid point 61 (29/104) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -11.158 25.331 11.444) 29.952 1.413 ( 7.040 24.433 7.808) 26.599 2.156 ( -1.567 0.471 7.891) 8.059 2.365 ( 0.986 -2.928 -1.275) 3.342 2.600 ( -1.673 34.719 11.272) 36.541 2.818 ( -2.755 0.471 2.562) 3.791 2.848 ( -4.111 0.050 -2.954) 5.063 2.941 ( -4.014 0.722 -2.060) 4.569 3.008 ( 1.241 4.546 5.796) 7.470 3.096 ( -3.067 -2.581 -1.002) 4.131 3.183 ( 4.098 12.974 0.214) 13.607 3.251 ( -4.899 7.892 0.779) 9.321 3.329 ( -3.086 6.453 3.201) 7.837 3.408 ( 2.879 0.179 2.159) 3.603 3.587 ( 6.970 4.970 5.814) 10.348 3.617 ( 1.698 7.686 1.538) 8.020 3.993 ( -6.291 -0.946 -4.307) 7.683 4.202 ( 4.089 3.738 0.924) 5.617 4.342 ( -1.229 3.923 -0.287) 4.121 4.462 ( -3.699 -3.142 1.354) 5.039 4.608 ( -2.660 -5.510 -1.165) 6.228 4.855 ( 5.581 15.989 -2.699) 17.149 4.959 ( 0.794 -14.973 5.564) 15.993 5.036 ( 8.464 -11.328 1.729) 14.246 5.374 ( -1.675 -13.855 7.670) 15.925 5.707 ( 3.065 -5.343 2.438) 6.625 5.943 ( 0.987 3.293 1.033) 3.589 6.032 ( -5.650 -2.445 0.716) 6.198 6.187 ( 3.086 3.726 -2.667) 5.524 6.368 ( -3.945 -0.623 -0.669) 4.049 6.654 ( -5.070 2.144 1.261) 5.647 6.768 ( 2.793 7.900 1.143) 8.457 6.865 ( 4.059 -0.924 -9.122) 10.027 7.239 ( -7.580 -8.442 1.016) 11.392 7.444 ( -0.307 4.111 -7.094) 8.205 7.584 ( -1.946 -2.396 -11.165) 11.584 7.751 ( 4.475 2.594 3.797) 6.416 7.903 ( -3.068 -1.432 -1.995) 3.930 8.075 ( 7.597 7.181 4.359) 11.326 8.295 ( 4.511 0.445 2.089) 4.991 8.413 ( -3.055 1.580 -1.549) 3.772 8.482 ( 2.241 -3.093 -3.543) 5.210 8.734 ( -4.619 -0.768 3.016) 5.570 8.807 ( 7.224 -1.243 -1.015) 7.400 9.070 ( -0.175 0.367 1.638) 1.688 9.257 ( -5.974 -6.317 12.787) 15.463 9.652 ( 2.506 8.435 -3.613) 9.512 9.846 ( -1.129 4.092 -9.639) 10.533 10.104 ( -2.260 -1.009 5.900) 6.398 10.577 ( 4.872 -5.750 3.660) 8.378 10.647 ( -6.670 -0.249 4.292) 7.935 11.011 ( -0.324 -2.475 0.124) 2.499 11.274 ( -0.353 -0.397 -3.192) 3.236 11.309 ( -0.770 -1.689 -4.364) 4.742 11.476 ( 6.208 7.996 -0.396) 10.131 12.119 ( -2.267 0.526 -0.476) 2.376 12.278 ( 1.271 2.288 -4.860) 5.520 12.590 ( -2.276 -5.955 -1.884) 6.647 12.828 ( 3.282 -10.275 -7.268) 13.006 12.995 ( -4.800 -2.371 -4.768) 7.169 13.099 ( 2.125 0.069 -9.065) 9.311 13.421 ( -1.198 -0.012 -1.460) 1.889 13.734 ( -3.020 -6.204 3.677) 7.819 13.845 ( -4.674 1.191 -1.271) 4.988 13.910 ( -9.728 -7.277 0.120) 12.149 14.014 ( -0.227 -7.796 1.144) 7.883 14.226 ( 2.292 4.986 -1.181) 5.613 14.418 ( 11.827 1.330 8.439) 14.590 14.560 ( 6.847 -2.482 7.744) 10.631 14.939 ( -3.182 -2.516 -1.960) 4.505 15.167 ( -5.501 1.779 -0.813) 5.838 15.625 ( -6.108 -5.056 2.436) 8.295 15.859 ( 11.782 8.323 6.899) 15.990 16.297 ( 5.297 -8.263 4.347) 10.735 16.415 ( 1.041 12.293 2.146) 12.522 16.794 ( -4.744 1.648 -1.441) 5.225 16.930 ( 0.379 -0.373 -3.801) 3.838 17.002 ( 2.075 8.966 -2.277) 9.481 17.239 ( -1.485 2.909 -5.445) 6.350 17.357 ( 0.854 -8.476 -0.999) 8.578 24.498 ( 1.340 2.324 -0.787) 2.795 24.626 ( -6.670 -2.529 2.532) 7.569 24.923 ( 0.554 1.349 6.026) 6.199 24.943 ( -1.220 0.988 4.132) 4.420 25.549 ( -0.082 -3.715 7.714) 8.563 25.653 ( -0.821 -3.909 0.395) 4.013 25.819 ( -1.043 2.449 2.375) 3.567 25.950 ( 0.865 -1.339 3.800) 4.121 27.214 ( -0.043 1.350 3.287) 3.554 27.553 ( -1.139 -6.710 1.207) 6.912 27.583 ( 1.311 6.764 -0.016) 6.889 28.141 ( 2.075 -8.762 -2.976) 9.483 29.644 ( -1.406 -1.010 -0.669) 1.856 29.906 ( 0.993 -9.133 -1.334) 9.283 31.268 ( 1.837 13.313 -3.815) 13.970 31.460 ( 1.568 10.901 -16.291) 19.664 ======================= Grid point 62 (30/104) ======================= q-point: ( 0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -9.052 21.485 10.978) 25.769 1.599 ( 6.527 18.950 12.926) 23.849 2.118 ( -6.641 -0.877 6.062) 9.034 2.366 ( -1.399 -1.471 1.360) 2.444 2.586 ( -9.272 15.423 4.457) 18.539 2.713 ( -7.389 3.830 -0.315) 8.329 2.777 ( 2.683 15.435 -1.349) 15.725 2.900 ( 0.500 0.349 0.938) 1.119 2.948 ( -7.178 -0.183 0.544) 7.201 3.111 ( -2.231 -0.839 4.518) 5.108 3.198 ( 1.855 3.420 -2.863) 4.830 3.278 ( 4.971 6.536 -1.924) 8.434 3.322 ( 2.883 3.772 5.907) 7.579 3.466 ( 1.745 3.458 -0.511) 3.907 3.646 ( 0.864 8.733 2.623) 9.159 3.737 ( 2.899 8.897 5.256) 10.732 3.809 ( -8.645 0.647 -1.156) 8.746 4.220 ( -1.939 2.660 3.042) 4.482 4.307 ( -2.902 -8.862 -5.079) 10.618 4.417 ( -2.821 5.132 7.899) 9.833 4.564 ( 0.132 -1.262 -0.647) 1.424 4.905 ( 0.421 10.113 -2.305) 10.381 5.071 ( 6.395 -5.037 5.497) 9.823 5.180 ( 5.380 -8.728 0.562) 10.268 5.381 ( -2.704 -14.204 5.664) 15.529 5.764 ( 1.816 -5.660 0.072) 5.945 5.898 ( -5.644 -1.830 1.415) 6.100 5.918 ( -3.139 0.916 -0.443) 3.300 6.280 ( 0.179 -1.328 -2.505) 2.840 6.366 ( 7.801 -0.930 -1.219) 7.950 6.522 ( -7.388 3.869 4.090) 9.289 6.824 ( 1.312 9.686 -0.869) 9.813 6.911 ( 5.167 -0.229 -7.780) 9.342 7.125 ( -1.841 -4.485 1.020) 4.955 7.377 ( -1.100 3.204 -9.335) 9.931 7.593 ( 5.776 -2.467 -3.977) 7.434 7.758 ( -4.204 1.808 3.791) 5.943 7.909 ( 3.152 1.579 -2.037) 4.072 8.182 ( -0.486 3.700 5.146) 6.357 8.286 ( -3.334 7.905 -2.820) 9.031 8.388 ( -3.062 -7.149 -0.040) 7.777 8.536 ( 5.805 -0.969 -1.340) 6.036 8.711 ( 3.025 -0.469 2.035) 3.675 8.894 ( -0.850 1.015 -2.661) 2.972 9.062 ( 0.425 -2.285 1.695) 2.877 9.230 ( -4.331 -3.545 13.165) 14.305 9.673 ( 1.715 7.455 -6.216) 9.857 9.744 ( -2.480 4.805 -11.687) 12.878 10.111 ( -0.481 -0.286 7.583) 7.604 10.537 ( -7.220 -5.433 5.990) 10.840 10.679 ( 3.562 0.199 3.376) 4.912 11.025 ( 1.459 -3.253 -0.209) 3.571 11.302 ( 3.007 2.527 -2.851) 4.853 11.329 ( 7.650 -0.586 -3.219) 8.320 11.593 ( 5.615 5.086 -5.674) 9.466 11.993 ( -8.103 -4.201 1.235) 9.210 12.268 ( -1.552 2.632 0.169) 3.060 12.521 ( -3.587 -3.634 -3.277) 6.067 12.730 ( -8.622 -12.075 -5.826) 15.941 12.883 ( -4.091 2.774 -5.702) 7.546 13.133 ( 3.413 -9.799 -5.122) 11.572 13.288 ( -6.856 -3.559 -3.307) 8.403 13.721 ( -3.960 1.889 4.399) 6.213 13.742 ( -5.967 -1.012 6.517) 8.894 13.775 ( -0.649 -0.260 -4.648) 4.700 13.993 ( 0.215 -4.607 -3.572) 5.833 14.312 ( 3.609 2.514 3.181) 5.428 14.625 ( 6.053 0.050 5.422) 8.127 14.817 ( -4.489 3.854 -6.183) 8.558 14.846 ( 14.037 -3.744 12.009) 18.849 15.096 ( -1.234 -5.204 -2.846) 6.059 15.469 ( -8.770 -5.143 0.160) 10.168 16.168 ( 11.156 7.365 7.534) 15.345 16.383 ( -1.611 1.773 3.630) 4.349 16.478 ( 6.866 0.367 4.721) 8.341 16.708 ( -2.460 1.758 -3.566) 4.675 16.860 ( -3.965 -2.290 -4.237) 6.239 17.050 ( 2.334 8.751 -0.990) 9.111 17.216 ( 3.146 1.865 -3.116) 4.805 17.411 ( 4.260 -4.587 -4.852) 7.920 24.533 ( 2.184 1.624 0.223) 2.730 24.593 ( 1.907 -0.277 0.725) 2.059 24.938 ( -1.405 2.357 2.379) 3.632 24.972 ( 0.676 2.016 9.207) 9.449 25.567 ( -1.529 -3.250 4.645) 5.871 25.638 ( -0.904 -4.575 1.385) 4.865 25.807 ( -1.042 3.245 1.412) 3.689 25.985 ( 0.468 -1.645 3.821) 4.186 27.214 ( -1.900 0.382 2.836) 3.435 27.563 ( 1.144 -8.281 1.986) 8.593 27.627 ( 3.171 0.592 0.474) 3.260 28.156 ( 1.151 -11.043 -3.656) 11.689 29.586 ( -3.781 1.211 -0.964) 4.086 29.914 ( 0.387 -10.011 -1.094) 10.078 31.217 ( -4.292 17.446 -5.587) 18.815 31.409 ( 1.254 12.085 -11.288) 16.584 ======================= Grid point 63 (31/104) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 3.694 11.332 13.955) 18.352 1.709 ( -4.397 7.112 12.095) 14.703 2.000 ( -5.572 -0.031 1.880) 5.881 2.290 ( -9.237 3.067 8.593) 12.983 2.453 ( -2.280 4.217 -0.555) 4.826 2.610 ( -4.039 6.598 0.212) 7.739 2.818 ( -1.888 -0.785 -1.757) 2.695 2.846 ( 0.461 4.542 -0.049) 4.566 2.936 ( 0.911 7.662 3.198) 8.353 3.006 ( -5.245 3.106 0.303) 6.103 3.261 ( 3.727 12.158 -3.758) 13.260 3.370 ( 4.209 -5.072 -0.767) 6.635 3.419 ( 4.208 -0.636 -1.733) 4.595 3.496 ( 1.984 9.295 -2.067) 9.727 3.614 ( -4.902 0.244 0.792) 4.972 3.694 ( 1.460 10.711 7.294) 13.040 3.853 ( 2.474 16.187 8.748) 18.566 4.181 ( -6.610 4.833 5.059) 9.625 4.265 ( 1.309 -5.775 2.324) 6.361 4.326 ( -7.948 -4.805 1.710) 9.444 4.589 ( -1.098 -2.614 2.399) 3.714 4.873 ( -1.540 8.762 -4.824) 10.120 5.160 ( -0.653 -0.594 -3.114) 3.237 5.250 ( 5.223 -3.378 1.091) 6.316 5.352 ( -1.821 -10.864 3.729) 11.630 5.764 ( -0.637 -2.914 -4.164) 5.122 5.809 ( -4.626 -5.828 0.744) 7.478 5.885 ( -1.312 -2.475 1.547) 3.200 6.264 ( 0.762 1.604 0.401) 1.820 6.399 ( -2.957 6.599 3.038) 7.844 6.507 ( 0.329 -1.765 1.947) 2.648 6.860 ( 2.034 7.586 2.363) 8.202 6.985 ( 6.331 -1.241 -3.831) 7.503 7.140 ( 1.922 -1.618 -3.165) 4.041 7.404 ( 8.997 -1.795 -6.001) 10.963 7.672 ( 0.053 -1.556 -1.695) 2.301 7.728 ( 2.382 0.204 1.152) 2.654 7.910 ( -3.459 -0.876 -1.685) 3.946 8.161 ( 0.273 5.518 1.857) 5.829 8.257 ( -1.234 4.228 -1.809) 4.761 8.290 ( -4.546 1.240 2.740) 5.451 8.597 ( 1.092 -4.118 2.142) 4.769 8.780 ( 1.604 -0.226 -7.482) 7.656 8.792 ( -5.474 3.066 -1.207) 6.389 9.123 ( 1.607 -5.158 2.033) 5.772 9.198 ( -3.126 0.443 11.463) 11.890 9.599 ( -2.108 6.732 -10.427) 12.589 9.734 ( 3.542 3.624 -5.758) 7.670 10.155 ( 1.108 -0.927 6.975) 7.123 10.437 ( -7.071 -6.172 7.086) 11.761 10.741 ( 1.326 3.852 3.482) 5.359 11.052 ( 1.809 -1.518 -0.848) 2.509 11.362 ( 4.218 4.322 -2.129) 6.403 11.481 ( 5.272 1.911 -3.223) 6.468 11.657 ( 9.064 -0.186 -4.630) 10.179 11.906 ( -2.219 -7.706 0.582) 8.040 12.191 ( -8.393 -0.816 1.592) 8.581 12.426 ( -3.912 -5.189 -8.983) 11.087 12.544 ( -6.150 -6.775 -2.102) 9.388 12.796 ( -2.350 -1.108 -0.713) 2.695 13.151 ( 0.343 -9.995 -2.103) 10.220 13.209 ( -0.711 -4.613 -0.718) 4.722 13.646 ( -2.908 0.066 1.734) 3.387 13.717 ( -0.515 4.198 2.685) 5.010 13.780 ( -0.432 1.599 1.548) 2.268 14.009 ( 2.951 -6.014 -1.223) 6.810 14.345 ( -2.213 1.101 3.394) 4.199 14.641 ( -0.954 7.611 -1.188) 7.762 14.866 ( 7.869 -7.149 -0.777) 10.660 15.042 ( -2.053 -3.950 -5.306) 6.926 15.102 ( 6.351 -3.420 6.540) 9.736 15.330 ( -6.422 -4.394 2.566) 8.193 16.237 ( -1.523 10.725 -0.821) 10.864 16.422 ( 2.036 0.049 3.401) 3.964 16.576 ( -3.683 -1.040 -0.440) 3.852 16.663 ( 2.791 1.405 1.260) 3.369 16.821 ( 1.632 1.008 -3.610) 4.088 17.065 ( 0.318 5.809 0.355) 5.829 17.317 ( 7.473 2.627 -1.310) 8.029 17.431 ( 0.628 -1.116 -6.072) 6.205 24.595 ( 3.760 0.813 1.968) 4.321 24.645 ( 2.398 -0.787 0.405) 2.556 24.907 ( -2.729 4.390 1.203) 5.307 25.038 ( 1.000 1.182 10.716) 10.828 25.543 ( -2.237 -1.545 1.247) 2.991 25.635 ( -0.711 -6.023 2.318) 6.493 25.797 ( -0.706 3.893 1.360) 4.183 26.000 ( -0.549 -1.258 2.389) 2.755 27.182 ( -2.198 1.068 1.969) 3.138 27.595 ( 0.625 -4.954 2.945) 5.797 27.692 ( 2.856 -7.877 0.604) 8.401 28.144 ( 0.055 -13.580 -5.889) 14.802 29.520 ( -2.401 3.063 0.191) 3.897 29.910 ( -0.106 -10.718 -1.335) 10.801 31.111 ( -2.997 22.617 -5.639) 23.501 31.393 ( 1.598 10.733 -6.730) 12.769 ======================= Grid point 64 (32/104) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.733 9.280 15.129) 17.763 1.554 ( -12.227 1.902 5.267) 13.448 1.965 ( -0.291 4.134 3.050) 5.145 2.238 ( 0.413 -1.280 7.835) 7.950 2.447 ( -0.824 4.635 1.248) 4.870 2.550 ( -0.553 4.951 0.961) 5.074 2.792 ( 1.178 -2.539 -3.401) 4.405 2.861 ( 1.626 5.632 2.546) 6.391 2.974 ( 1.563 -0.936 6.982) 7.215 3.038 ( 5.509 12.613 2.663) 14.019 3.275 ( 0.678 8.635 -5.664) 10.349 3.407 ( 0.871 -1.270 -0.845) 1.756 3.451 ( -0.984 6.880 -2.803) 7.494 3.484 ( -0.594 5.862 -2.868) 6.553 3.566 ( -0.588 13.123 -0.244) 13.138 3.814 ( 0.997 5.125 8.989) 10.395 3.919 ( -4.437 13.151 14.620) 20.158 4.046 ( -2.922 12.583 0.204) 12.920 4.183 ( -5.793 -10.839 0.266) 12.292 4.359 ( 5.053 -4.223 4.670) 8.073 4.541 ( -3.335 -8.355 -0.442) 9.007 4.814 ( -1.436 7.488 -6.634) 10.107 5.087 ( -3.003 0.898 -7.393) 8.030 5.311 ( -3.078 -8.248 -1.143) 8.878 5.364 ( 3.106 -1.916 5.040) 6.222 5.707 ( -1.817 -2.628 -6.599) 7.332 5.787 ( 1.570 -7.041 3.297) 7.932 5.853 ( -1.827 -4.148 -1.273) 4.708 6.318 ( 2.395 5.573 4.511) 7.559 6.382 ( -0.190 5.352 3.810) 6.573 6.497 ( -1.645 -1.726 2.654) 3.567 6.861 ( -2.336 8.599 -0.159) 8.912 7.095 ( 6.021 2.242 -2.870) 7.037 7.185 ( 2.768 -8.636 3.701) 9.795 7.556 ( 6.129 -4.151 -3.329) 8.117 7.630 ( -2.403 1.151 -1.171) 2.910 7.736 ( -6.630 -8.217 -6.467) 12.381 7.794 ( 0.830 3.632 -3.453) 5.080 8.156 ( -2.047 1.230 -1.456) 2.797 8.263 ( -0.461 6.198 0.919) 6.283 8.325 ( 7.382 4.982 7.511) 11.650 8.612 ( -1.182 -1.911 2.461) 3.332 8.703 ( -2.068 1.562 -6.077) 6.607 8.752 ( -0.534 -1.773 -2.560) 3.159 9.040 ( -4.223 -0.895 -3.645) 5.650 9.288 ( 1.465 -4.054 11.817) 12.579 9.549 ( 0.870 7.509 -5.316) 9.241 9.774 ( 3.860 2.116 -6.216) 7.617 10.205 ( 0.573 -1.079 3.137) 3.366 10.357 ( -4.817 -7.098 9.724) 12.967 10.761 ( -0.620 6.376 2.402) 6.841 11.083 ( 1.437 -0.341 -0.160) 1.485 11.405 ( 0.140 3.985 -1.141) 4.148 11.513 ( 2.071 2.349 -0.799) 3.232 11.741 ( -2.333 0.931 -7.736) 8.134 11.977 ( 1.587 -10.523 1.821) 10.796 11.994 ( -1.782 -0.125 -2.901) 3.407 12.349 ( 3.755 -13.392 -8.005) 16.047 12.501 ( 0.250 -0.118 0.025) 0.278 12.821 ( 4.013 -0.051 3.752) 5.494 13.144 ( 0.716 -8.698 -0.558) 8.746 13.223 ( 1.343 -1.659 -0.717) 2.252 13.623 ( -1.209 -2.910 1.890) 3.675 13.725 ( -1.194 0.289 4.479) 4.645 13.785 ( 1.905 3.351 -0.078) 3.855 14.076 ( 3.094 -6.454 3.182) 7.833 14.292 ( -3.154 2.747 0.131) 4.185 14.651 ( 0.648 5.332 0.204) 5.375 14.918 ( -6.686 -3.161 -9.160) 11.773 14.978 ( 3.292 -11.564 -1.110) 12.075 15.176 ( -0.410 -1.498 1.724) 2.321 15.283 ( -0.036 -1.733 6.511) 6.738 16.226 ( 0.759 7.270 -0.476) 7.325 16.388 ( -6.883 2.735 -1.648) 7.587 16.487 ( -1.253 -1.036 -4.914) 5.176 16.695 ( -1.082 1.808 0.018) 2.107 16.868 ( 4.216 5.864 -0.693) 7.256 17.078 ( -0.249 3.927 2.636) 4.736 17.382 ( -2.587 0.174 -4.351) 5.065 17.439 ( 5.651 1.423 -2.065) 6.182 24.643 ( -1.491 0.077 2.070) 2.552 24.699 ( 3.514 -1.190 3.164) 4.876 24.861 ( -2.166 5.033 0.414) 5.495 25.103 ( -0.339 -1.869 11.049) 11.211 25.503 ( -2.181 -1.244 -0.269) 2.525 25.630 ( -0.759 -5.192 2.066) 5.639 25.796 ( -0.243 3.678 1.844) 4.122 25.989 ( -1.515 -0.928 1.083) 2.081 27.166 ( -0.400 2.179 1.982) 2.973 27.611 ( -0.601 -4.243 3.246) 5.376 27.715 ( -0.928 -7.505 -0.028) 7.563 28.110 ( 0.341 -13.533 -7.562) 15.506 29.512 ( 1.033 2.705 1.554) 3.286 29.901 ( 0.025 -10.770 -1.773) 10.915 31.067 ( 1.189 23.635 -5.096) 24.207 31.401 ( 2.563 9.919 -5.535) 11.644 ======================= Grid point 65 (33/104) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -6.938 14.828 16.571) 23.294 1.418 ( -6.499 15.723 6.031) 18.050 2.026 ( 4.527 -2.574 4.021) 6.579 2.283 ( 0.475 -4.513 -0.537) 4.569 2.520 ( 9.630 5.879 4.965) 12.327 2.623 ( 5.036 4.791 5.697) 8.987 2.831 ( 3.826 1.766 -1.299) 4.410 2.934 ( 3.390 6.622 1.788) 7.651 3.035 ( 0.603 4.715 5.017) 6.911 3.139 ( -0.480 14.326 6.055) 15.561 3.262 ( 0.232 4.390 -0.937) 4.495 3.326 ( -8.998 10.998 -1.856) 14.331 3.387 ( -1.345 6.693 -2.914) 7.423 3.458 ( -3.358 4.726 1.266) 5.934 3.548 ( -2.595 15.535 1.332) 15.807 3.680 ( -7.827 5.860 0.169) 9.779 3.921 ( -1.255 0.442 8.772) 8.872 4.148 ( 8.007 5.932 1.319) 10.052 4.204 ( 6.228 -0.686 3.253) 7.060 4.376 ( -4.032 -4.814 -4.867) 7.945 4.563 ( 4.794 -10.145 7.011) 13.231 4.767 ( 0.592 4.974 -7.202) 8.773 4.995 ( -2.855 1.650 -6.888) 7.637 5.188 ( -8.818 -12.488 -0.942) 15.317 5.430 ( 0.562 -1.646 2.996) 3.464 5.660 ( -0.437 -6.031 -3.169) 6.827 5.829 ( 0.228 -3.144 2.207) 3.847 5.877 ( 6.216 -2.769 -0.779) 6.849 6.350 ( -1.565 5.481 2.787) 6.345 6.422 ( 2.108 1.693 1.618) 3.150 6.506 ( 0.779 0.921 7.901) 7.993 6.815 ( -0.851 6.105 -2.842) 6.788 7.083 ( -7.028 2.616 -6.517) 9.935 7.258 ( 1.765 -10.698 7.276) 13.058 7.500 ( -4.171 -6.345 -1.837) 7.812 7.618 ( 2.267 4.542 -0.389) 5.092 7.692 ( 2.227 -1.667 -0.167) 2.787 7.799 ( 1.111 4.901 -8.709) 10.055 8.175 ( 5.176 -2.211 -1.371) 5.793 8.204 ( -4.977 1.057 -1.075) 5.201 8.459 ( -1.365 2.570 -1.917) 3.484 8.559 ( -3.351 -1.163 -1.227) 3.753 8.648 ( 2.182 1.725 -3.320) 4.331 8.772 ( 1.550 -1.891 3.701) 4.435 9.016 ( 1.660 2.455 0.177) 2.969 9.331 ( -2.284 -5.845 9.873) 11.698 9.569 ( 2.756 7.831 -1.932) 8.524 9.819 ( 4.534 2.640 -6.856) 8.633 10.175 ( -3.961 -1.350 2.388) 4.818 10.388 ( 2.020 -6.931 8.504) 11.156 10.750 ( -1.610 6.111 2.490) 6.792 11.087 ( -1.337 -1.299 0.257) 1.882 11.358 ( -3.593 2.612 -1.300) 4.628 11.477 ( -5.120 0.366 -3.238) 6.068 11.634 ( -6.297 0.444 -9.721) 11.591 11.889 ( 4.842 -2.044 3.486) 6.307 12.162 ( 6.681 -2.915 0.308) 7.296 12.483 ( 11.107 -13.791 -6.390) 18.825 12.546 ( 5.347 -0.143 0.116) 5.350 12.952 ( 7.352 0.274 2.826) 7.882 13.185 ( 3.496 -1.721 -1.660) 4.235 13.230 ( 0.562 0.412 -2.370) 2.470 13.627 ( 1.853 -5.623 3.365) 6.810 13.730 ( -0.859 -3.670 6.292) 7.334 13.848 ( 3.427 2.111 1.924) 4.462 14.135 ( 0.672 -7.762 4.983) 9.249 14.255 ( -0.442 3.875 -0.664) 3.956 14.604 ( -5.372 1.714 -2.801) 6.296 14.705 ( -11.414 -1.333 -9.792) 15.098 14.988 ( -0.920 -10.985 -0.068) 11.023 15.172 ( 0.076 1.026 3.648) 3.790 15.376 ( 5.946 -0.489 4.563) 7.511 16.163 ( -9.264 -0.257 -5.022) 10.540 16.292 ( -0.767 3.856 2.274) 4.541 16.412 ( -4.043 3.602 -5.808) 7.941 16.703 ( 3.803 3.307 -2.029) 5.433 16.937 ( 3.186 8.027 -0.735) 8.667 17.058 ( -3.749 1.903 3.533) 5.491 17.311 ( -2.629 1.848 -3.194) 4.531 17.487 ( 0.462 -2.761 -2.745) 3.921 24.585 ( -4.833 1.882 1.720) 5.464 24.771 ( 1.277 -3.025 4.638) 5.682 24.845 ( 0.032 3.305 1.861) 3.793 25.099 ( -5.745 -6.746 7.031) 11.312 25.475 ( -0.725 -0.295 2.481) 2.602 25.635 ( 0.252 -4.008 1.965) 4.471 25.805 ( -0.077 3.206 2.621) 4.142 25.959 ( -1.878 -0.531 0.462) 2.006 27.182 ( 0.591 2.907 2.225) 3.709 27.603 ( -1.855 -5.782 3.072) 6.805 27.660 ( -3.762 -0.188 -1.744) 4.151 28.097 ( 1.934 -11.006 -6.206) 12.782 29.565 ( 3.397 0.757 1.844) 3.939 29.895 ( 0.428 -10.101 -2.109) 10.328 31.106 ( 5.628 21.589 -5.418) 22.959 31.432 ( 3.933 9.397 -6.682) 12.183 ======================= Grid point 66 (34/104) ======================= q-point: (-0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 3.140 24.481 13.441) 28.104 1.346 ( -5.186 22.200 9.804) 24.816 2.118 ( 1.780 -1.030 6.002) 6.345 2.320 ( 4.757 -7.516 -3.281) 9.481 2.670 ( -4.353 22.817 9.725) 25.182 2.772 ( 5.429 3.534 2.572) 6.970 2.831 ( 1.136 5.206 -1.645) 5.577 2.992 ( 1.267 3.292 2.498) 4.322 3.013 ( -4.404 13.665 5.841) 15.500 3.102 ( 1.235 11.456 2.815) 11.861 3.185 ( -4.968 -3.969 -3.120) 7.083 3.291 ( 0.285 7.323 4.996) 8.869 3.358 ( -3.160 12.811 2.488) 13.428 3.430 ( -1.367 1.103 0.455) 1.814 3.486 ( -1.534 4.618 -0.242) 4.872 3.597 ( -0.292 6.953 -0.995) 7.030 4.008 ( 4.728 -1.457 4.544) 6.718 4.180 ( -1.961 9.875 -6.690) 12.088 4.325 ( 2.305 5.226 4.757) 7.433 4.402 ( 8.101 -8.755 1.830) 12.068 4.645 ( -0.468 -8.238 3.152) 8.832 4.804 ( 5.732 8.938 -4.749) 11.632 4.920 ( -0.168 -5.996 -6.278) 8.683 5.015 ( -8.282 -16.079 3.329) 18.390 5.404 ( -3.802 -6.525 3.312) 8.246 5.658 ( 0.874 -6.379 1.072) 6.528 5.881 ( 3.233 0.887 3.424) 4.792 5.994 ( 6.431 -0.842 -2.367) 6.904 6.281 ( -6.858 5.940 1.865) 9.263 6.438 ( -2.732 -0.812 2.803) 3.997 6.598 ( 5.261 2.820 3.642) 6.992 6.816 ( 1.597 3.577 -4.584) 6.030 6.873 ( -7.435 0.329 -5.430) 9.212 7.303 ( -1.033 -11.333 4.534) 12.250 7.464 ( 0.582 1.697 -2.957) 3.459 7.646 ( 1.315 -0.948 -3.737) 4.074 7.721 ( -0.869 3.086 -4.092) 5.199 7.845 ( 8.737 5.404 -2.556) 10.586 8.061 ( -7.080 -3.028 -0.153) 7.702 8.277 ( -1.095 -2.541 -2.291) 3.592 8.365 ( 3.853 5.173 -0.246) 6.455 8.508 ( -2.059 -2.712 -3.277) 4.725 8.711 ( 4.210 2.668 -4.393) 6.644 8.799 ( -2.497 -3.182 7.003) 8.087 9.050 ( 0.868 2.392 2.271) 3.411 9.309 ( -5.027 -6.331 9.716) 12.639 9.615 ( 2.887 7.924 -1.723) 8.608 9.865 ( 3.313 3.751 -7.132) 8.713 10.126 ( -2.859 -1.815 4.385) 5.541 10.474 ( 3.775 -5.082 4.446) 7.736 10.724 ( -3.536 1.472 4.314) 5.769 11.041 ( -2.725 -1.629 -0.374) 3.196 11.307 ( -0.578 0.449 -1.909) 2.045 11.369 ( -4.322 -0.801 -2.673) 5.145 11.470 ( -4.621 3.546 -5.614) 8.090 12.054 ( 7.553 -0.080 1.845) 7.775 12.254 ( 4.340 0.551 -4.089) 5.988 12.592 ( 2.919 -6.319 0.217) 6.964 12.710 ( 11.030 -8.530 -6.005) 15.182 13.055 ( 1.776 -7.295 -3.268) 8.189 13.159 ( -1.616 7.536 -10.254) 12.828 13.318 ( 7.553 2.095 3.848) 8.731 13.749 ( -0.357 -5.739 4.597) 7.362 13.788 ( 11.556 -6.858 9.167) 16.267 13.897 ( 0.310 -0.777 2.022) 2.188 14.119 ( -5.715 -9.305 1.658) 11.045 14.264 ( 1.153 2.468 0.595) 2.788 14.397 ( -13.928 2.737 -7.747) 16.171 14.506 ( -2.793 -1.116 0.558) 3.059 14.966 ( -0.794 -9.068 -0.255) 9.106 15.214 ( 0.607 5.611 4.387) 7.148 15.525 ( 7.626 0.931 4.499) 8.903 15.925 ( -12.277 0.945 -2.478) 12.561 16.260 ( -2.113 -7.943 -1.340) 8.328 16.374 ( 1.461 13.370 1.584) 13.543 16.793 ( 5.746 3.769 -3.210) 7.585 16.970 ( -1.377 6.550 -3.026) 7.346 16.989 ( -2.128 1.526 3.143) 4.091 17.264 ( -0.363 3.213 -3.524) 4.783 17.429 ( -4.787 -7.038 -2.511) 8.874 24.512 ( -2.867 2.722 0.553) 3.991 24.754 ( -6.004 -4.965 3.969) 8.744 24.880 ( 1.359 0.729 4.458) 4.717 24.986 ( -6.383 -3.051 2.847) 7.626 25.504 ( 0.619 -1.643 7.358) 7.564 25.653 ( 0.471 -4.145 1.220) 4.346 25.817 ( -0.344 2.645 3.448) 4.359 25.935 ( -0.799 -0.373 1.300) 1.571 27.199 ( 0.030 2.748 2.495) 3.712 27.576 ( -2.046 -5.118 2.283) 5.965 27.593 ( -2.064 5.781 -1.600) 6.343 28.115 ( 2.468 -8.780 -4.011) 9.963 29.633 ( 2.423 -1.130 0.819) 2.797 29.896 ( 0.817 -9.166 -1.959) 9.408 31.203 ( 6.817 16.773 -5.390) 18.891 31.471 ( 4.424 9.092 -11.355) 15.204 ======================= Grid point 67 (35/104) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -8.175 20.524 8.561) 23.693 1.874 ( 4.639 18.657 3.690) 19.576 2.053 ( -3.265 -10.087 8.529) 13.608 2.199 ( 2.789 -11.687 1.016) 12.059 2.784 ( 1.903 -1.070 -2.553) 3.359 2.807 ( 1.315 -2.702 -4.620) 5.511 2.959 ( -5.655 1.088 -1.237) 5.890 2.997 ( -3.833 -2.444 -1.364) 4.746 3.110 ( 1.903 8.292 2.591) 8.894 3.169 ( -10.423 5.931 2.785) 12.311 3.317 ( -5.164 6.248 0.657) 8.133 3.384 ( 4.903 -0.128 1.032) 5.012 3.431 ( -4.554 0.140 -0.776) 4.622 3.449 ( -1.853 1.184 -0.755) 2.325 3.745 ( 3.572 14.089 2.323) 14.719 3.962 ( 4.571 22.091 3.475) 22.825 4.070 ( -1.404 -6.658 -3.276) 7.553 4.083 ( -3.716 3.875 3.699) 6.519 4.286 ( -6.717 -6.793 2.988) 10.010 4.446 ( 2.231 -14.475 2.089) 14.794 4.572 ( 0.699 3.889 4.062) 5.667 4.651 ( 5.576 -8.746 6.661) 12.327 4.862 ( 7.156 -0.717 4.704) 8.594 4.993 ( 6.953 -9.039 4.645) 12.313 5.297 ( -4.681 13.110 1.732) 14.028 5.576 ( -0.379 -10.190 2.306) 10.454 5.994 ( 1.840 2.981 -3.574) 5.005 6.031 ( -0.796 0.875 -3.002) 3.227 6.268 ( -4.701 3.502 -0.883) 5.928 6.339 ( -5.353 -2.714 0.280) 6.008 6.722 ( -0.882 4.691 -0.390) 4.789 6.820 ( 3.842 -3.150 -5.394) 7.333 6.911 ( 3.564 5.516 1.707) 6.785 7.051 ( -2.201 -8.442 2.858) 9.181 7.487 ( -0.600 0.713 -3.202) 3.335 7.519 ( -1.000 -2.716 -6.225) 6.865 7.835 ( 4.133 4.500 -0.560) 6.136 7.894 ( 1.071 -0.706 -2.507) 2.816 8.200 ( 2.021 3.770 2.618) 5.015 8.271 ( 0.755 -2.743 -0.198) 2.852 8.431 ( 1.203 3.931 0.683) 4.167 8.516 ( 2.739 1.000 0.462) 2.952 8.681 ( -2.901 -0.929 3.303) 4.493 8.757 ( 4.979 -4.466 -2.749) 7.232 9.102 ( -2.142 1.836 2.413) 3.713 9.146 ( -4.916 -3.156 8.283) 10.135 9.799 ( 2.587 5.351 -8.633) 10.481 9.880 ( 0.774 -1.587 -10.994) 11.135 10.156 ( -2.016 5.945 8.688) 10.719 10.335 ( -1.355 -10.780 8.031) 13.511 10.782 ( -1.462 7.409 0.019) 7.551 10.925 ( -0.873 -5.609 -1.286) 5.821 11.262 ( 0.569 -0.389 -3.578) 3.644 11.271 ( 1.305 -1.326 -3.409) 3.884 11.731 ( 3.812 14.774 -0.017) 15.258 12.029 ( 0.724 -10.686 1.060) 10.763 12.343 ( 0.679 4.410 -5.978) 7.459 12.456 ( 0.028 -5.967 -3.817) 7.084 12.688 ( -2.525 -0.729 -4.309) 5.047 12.792 ( -3.279 -9.381 -4.815) 11.043 13.259 ( -3.632 8.608 -6.306) 11.272 13.409 ( -6.357 -4.323 -7.290) 10.594 13.588 ( 2.700 -1.088 7.474) 8.021 13.694 ( -2.194 -9.056 6.087) 11.130 13.896 ( -2.966 3.026 -1.209) 4.407 13.961 ( -1.714 -2.053 0.432) 2.709 14.332 ( 4.206 4.619 1.445) 6.412 14.414 ( 5.738 -2.775 3.797) 7.419 14.623 ( 6.595 7.383 4.256) 10.776 14.797 ( 3.136 -8.352 1.318) 9.018 15.307 ( -8.528 8.601 -1.653) 12.224 15.486 ( -7.120 -7.854 -0.068) 10.601 16.005 ( 9.213 6.023 7.603) 13.378 16.136 ( 6.850 -6.710 6.129) 11.380 16.718 ( 2.696 13.321 -1.354) 13.658 16.814 ( -4.085 0.901 -1.138) 4.336 16.892 ( -3.940 -0.169 -1.393) 4.182 17.083 ( -4.009 -11.751 -1.835) 12.551 17.199 ( 2.876 5.301 -3.415) 6.931 17.280 ( 2.587 -1.676 -3.536) 4.691 24.541 ( -0.380 1.818 0.736) 1.998 24.580 ( -2.724 -1.936 1.909) 3.848 24.950 ( 1.255 1.028 4.156) 4.461 24.959 ( 0.237 0.281 4.246) 4.262 25.524 ( -0.603 0.882 4.035) 4.175 25.572 ( -0.775 -3.400 1.866) 3.955 25.875 ( -0.207 2.528 1.231) 2.819 25.920 ( 0.422 -1.737 1.578) 2.384 27.281 ( -1.340 4.854 1.164) 5.168 27.408 ( -1.945 -6.758 0.104) 7.033 27.748 ( 0.284 8.605 -1.001) 8.668 27.942 ( 0.664 -9.554 -1.614) 9.713 29.659 ( -0.505 2.501 0.709) 2.648 29.748 ( 0.084 -5.800 0.530) 5.825 31.493 ( 1.863 7.444 -5.669) 9.541 31.571 ( 1.883 0.381 -8.934) 9.139 ======================= Grid point 68 (36/104) ======================= q-point: ( 0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -13.740 21.438 4.227) 25.812 1.886 ( -11.633 -5.653 5.639) 14.109 2.020 ( 2.107 6.451 6.636) 9.492 2.252 ( 2.253 -9.130 5.680) 10.986 2.715 ( -10.013 3.501 -2.159) 10.825 2.783 ( -4.605 -1.116 0.205) 4.742 2.881 ( 0.004 1.703 -2.055) 2.669 2.911 ( -4.004 0.375 -1.672) 4.355 3.004 ( -7.286 1.752 -0.385) 7.504 3.120 ( 0.616 -5.477 2.567) 6.080 3.291 ( -4.189 7.636 -2.957) 9.198 3.352 ( 2.313 2.171 -3.273) 4.558 3.404 ( 0.840 2.912 -1.246) 3.277 3.521 ( 8.117 -2.056 -4.188) 9.362 3.788 ( -1.503 9.849 0.801) 9.995 3.950 ( -4.886 8.928 1.355) 10.267 4.076 ( 2.966 3.083 1.884) 4.674 4.102 ( 1.418 7.500 7.947) 11.019 4.192 ( -3.267 -5.037 3.077) 6.746 4.452 ( -3.095 -7.387 4.009) 8.956 4.630 ( 0.992 8.140 5.697) 9.985 4.812 ( 6.663 -8.846 4.401) 11.917 5.016 ( 5.719 -4.597 5.136) 8.957 5.079 ( -1.635 -10.815 8.158) 13.645 5.293 ( 3.291 15.253 -1.220) 15.651 5.585 ( -0.085 -11.677 1.435) 11.765 5.924 ( -3.995 3.393 -2.866) 5.973 5.958 ( -4.533 0.939 -2.560) 5.290 6.270 ( 1.792 0.604 -1.956) 2.721 6.315 ( 4.517 -3.376 1.174) 5.760 6.645 ( -5.753 7.162 1.054) 9.246 6.803 ( -3.799 -7.273 -3.044) 8.752 6.997 ( 3.920 6.872 0.196) 7.914 7.100 ( 7.743 -2.026 1.019) 8.068 7.441 ( -1.856 3.349 -6.121) 7.219 7.521 ( 3.537 -3.930 -3.762) 6.489 7.834 ( -3.158 5.185 -0.115) 6.072 7.923 ( 0.920 -1.664 -3.689) 4.150 8.226 ( -0.602 0.799 4.091) 4.211 8.273 ( -0.128 -3.520 5.651) 6.659 8.427 ( -1.408 5.541 -3.108) 6.507 8.520 ( -1.477 -2.127 -0.578) 2.653 8.736 ( 6.668 4.874 1.213) 8.348 8.869 ( 4.429 -4.605 -3.969) 7.522 9.052 ( -3.713 1.302 3.728) 5.420 9.118 ( -2.777 -5.037 11.359) 12.732 9.783 ( 0.550 3.192 -10.401) 10.893 9.810 ( -1.198 0.935 -11.882) 11.979 10.166 ( -1.858 5.306 9.741) 11.247 10.326 ( -4.077 -9.712 8.938) 13.814 10.803 ( 3.644 7.060 -0.663) 7.973 10.937 ( 2.789 -5.224 -1.777) 6.183 11.315 ( 7.168 0.119 -2.830) 7.707 11.329 ( 7.136 -0.655 -3.881) 8.149 11.766 ( -0.584 9.916 -2.042) 10.141 11.923 ( -10.248 -3.874 -1.814) 11.105 12.311 ( -3.460 2.484 0.485) 4.287 12.431 ( -0.665 -6.673 -0.228) 6.710 12.537 ( -8.833 -0.810 -7.977) 11.929 12.699 ( -3.341 -12.925 -6.954) 15.053 13.150 ( -4.433 5.728 -3.958) 8.254 13.238 ( -6.675 -2.483 -4.315) 8.327 13.652 ( -1.184 -2.119 6.446) 6.888 13.679 ( -0.107 -3.507 6.943) 7.779 13.839 ( -1.421 4.043 -2.697) 5.063 13.927 ( -1.298 -3.582 -2.327) 4.464 14.429 ( 3.542 7.091 1.594) 8.085 14.565 ( 6.778 -5.105 2.785) 8.931 14.823 ( 7.802 2.006 3.806) 8.909 14.878 ( 5.217 -2.067 4.104) 6.952 15.122 ( -7.221 8.069 -2.743) 11.170 15.317 ( -8.636 -8.850 -0.631) 12.382 16.266 ( 11.027 3.154 9.434) 14.851 16.333 ( 8.211 -3.410 6.949) 11.284 16.641 ( -6.574 7.770 -0.811) 10.210 16.731 ( -5.983 -1.067 -2.764) 6.676 16.848 ( 2.559 5.381 -3.395) 6.858 17.057 ( 1.373 -9.419 -3.038) 9.991 17.263 ( 5.115 4.854 -2.405) 7.451 17.342 ( 5.493 -2.557 -4.354) 7.461 24.560 ( 1.719 1.060 0.941) 2.229 24.580 ( 1.703 -0.864 1.009) 2.160 24.987 ( 0.495 1.839 3.810) 4.259 25.002 ( 1.224 0.507 6.150) 6.291 25.525 ( -1.236 -0.228 3.697) 3.904 25.557 ( -1.663 -2.968 1.579) 3.751 25.879 ( -0.032 3.240 1.090) 3.419 25.940 ( 0.575 -2.540 1.951) 3.254 27.258 ( -1.556 3.944 0.730) 4.302 27.378 ( -0.849 -7.248 -0.284) 7.303 27.744 ( -0.201 7.519 -0.542) 7.541 27.930 ( -0.861 -9.912 -1.985) 10.146 29.638 ( -1.959 3.688 0.620) 4.221 29.743 ( -0.838 -6.344 0.583) 6.426 31.481 ( -0.039 7.824 -5.771) 9.722 31.549 ( 0.620 1.479 -8.017) 8.176 ======================= Grid point 69 (37/104) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -4.461 14.952 6.898) 17.060 1.656 ( -12.110 -10.858 4.491) 16.874 2.105 ( 1.113 9.521 6.237) 11.436 2.284 ( -4.838 -5.191 7.230) 10.130 2.525 ( -5.603 3.953 -1.263) 6.972 2.638 ( -8.689 -5.247 0.091) 10.151 2.834 ( -2.604 3.173 2.969) 5.066 2.895 ( -3.718 2.754 0.124) 4.629 2.918 ( 2.017 2.286 -0.103) 3.050 3.121 ( -1.625 -6.038 -1.175) 6.363 3.264 ( 3.441 0.316 0.337) 3.472 3.341 ( 0.098 -4.012 0.348) 4.028 3.525 ( 9.264 8.178 -6.176) 13.814 3.600 ( 2.017 4.281 -5.920) 7.579 3.736 ( -0.706 6.710 -1.363) 6.883 3.897 ( -1.147 -1.867 -2.657) 3.444 4.120 ( 1.114 -0.859 9.342) 9.448 4.174 ( -1.135 6.400 10.259) 12.145 4.225 ( 4.002 7.624 3.279) 9.213 4.383 ( -5.781 2.123 4.271) 7.495 4.598 ( -7.505 7.239 4.394) 11.315 4.877 ( -0.446 -11.007 -2.541) 11.305 5.083 ( 0.168 -4.648 5.345) 7.085 5.106 ( 0.343 -6.118 2.327) 6.555 5.356 ( 3.766 10.469 0.727) 11.150 5.583 ( -0.451 -10.405 1.321) 10.499 5.835 ( -3.831 3.136 -5.472) 7.379 5.871 ( -3.534 -0.240 -2.038) 4.087 6.335 ( 5.345 5.002 2.878) 7.866 6.443 ( 4.827 -3.714 3.138) 6.851 6.553 ( -4.513 6.564 2.209) 8.267 6.730 ( -0.769 -10.794 -0.336) 10.826 7.085 ( 4.883 9.184 0.128) 10.402 7.262 ( 8.769 -3.862 -2.047) 9.798 7.357 ( -3.544 7.743 -5.866) 10.340 7.567 ( 2.015 -8.280 -4.399) 9.589 7.778 ( -2.024 3.304 -0.866) 3.970 7.850 ( -5.291 -3.561 -2.838) 6.981 8.252 ( 0.806 4.457 3.773) 5.895 8.321 ( 0.987 -0.287 6.831) 6.908 8.399 ( 1.043 6.548 -2.701) 7.160 8.508 ( 1.071 -4.014 0.062) 4.155 8.776 ( -1.468 0.976 -8.504) 8.684 8.826 ( -4.206 -1.447 -6.116) 7.563 9.062 ( -0.172 0.822 8.641) 8.682 9.139 ( -1.970 -4.724 12.862) 13.843 9.717 ( -0.177 4.128 -11.378) 12.105 9.767 ( 1.828 -0.392 -9.910) 10.084 10.182 ( -1.491 3.172 9.401) 10.033 10.284 ( -4.988 -6.473 9.114) 12.242 10.874 ( 3.301 6.718 -0.167) 7.487 10.993 ( 3.434 -4.210 -1.152) 5.554 11.472 ( 9.575 4.096 -3.005) 10.839 11.513 ( 13.723 0.408 -3.652) 14.207 11.687 ( -4.589 2.844 -2.645) 6.012 11.772 ( -3.063 -4.457 -1.176) 5.535 12.169 ( -10.946 0.945 -1.975) 11.163 12.273 ( -12.087 -7.248 -7.561) 15.994 12.477 ( 2.041 1.313 0.139) 2.431 12.629 ( -1.116 -11.675 -0.490) 11.739 13.080 ( -2.068 3.206 0.687) 3.876 13.157 ( -0.892 -2.865 0.774) 3.099 13.633 ( -2.859 1.301 3.388) 4.620 13.705 ( -1.868 -4.185 4.246) 6.247 13.834 ( 1.851 3.377 -1.493) 4.130 13.910 ( 1.182 -3.860 -1.192) 4.209 14.470 ( 0.104 9.067 2.119) 9.312 14.673 ( 3.832 -9.177 0.971) 9.992 14.829 ( -1.870 7.882 -4.470) 9.252 14.965 ( -1.132 -4.624 -5.606) 7.354 15.110 ( 3.972 3.275 6.624) 8.389 15.213 ( -2.815 -5.961 3.613) 7.518 16.398 ( -3.130 3.882 1.145) 5.116 16.441 ( 3.488 0.149 3.649) 5.050 16.575 ( -3.951 2.192 -1.521) 4.767 16.640 ( 1.534 -2.728 -0.173) 3.134 16.912 ( 4.706 7.525 -0.558) 8.893 17.082 ( 2.348 -5.917 -0.234) 6.370 17.342 ( 3.891 3.235 -2.675) 5.724 17.413 ( 4.490 -2.108 -6.110) 7.870 24.610 ( 2.653 0.669 1.763) 3.255 24.626 ( 2.095 -0.896 1.317) 2.631 25.000 ( -1.037 3.825 2.579) 4.729 25.049 ( 0.323 -0.626 5.889) 5.931 25.513 ( -1.734 -0.722 2.256) 2.935 25.535 ( -1.360 -2.975 2.298) 3.998 25.882 ( -0.199 3.810 0.829) 3.904 25.954 ( -0.125 -2.914 1.437) 3.252 27.239 ( -0.773 4.543 1.338) 4.799 27.381 ( 0.787 -8.991 1.417) 9.136 27.739 ( -0.147 5.642 -0.191) 5.648 27.898 ( -1.156 -9.485 -2.711) 9.933 29.604 ( -1.656 4.812 0.776) 5.148 29.727 ( -0.986 -6.913 0.429) 6.996 31.446 ( -0.182 9.352 -6.182) 11.212 31.525 ( 0.785 1.523 -6.502) 6.724 ======================= Grid point 70 (38/104) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 1.886 8.499 10.644) 13.751 1.539 ( -1.776 -3.415 6.108) 7.220 2.084 ( -6.003 6.312 2.375) 9.028 2.194 ( -4.402 -3.401 5.266) 7.660 2.497 ( 0.559 1.166 -0.115) 1.299 2.556 ( 2.010 -3.797 1.213) 4.464 2.848 ( 1.794 5.344 2.788) 6.289 2.886 ( 2.270 2.325 4.655) 5.677 2.972 ( 2.856 1.563 3.877) 5.063 3.115 ( 1.009 -6.080 0.361) 6.173 3.315 ( 0.500 -0.120 1.350) 1.445 3.367 ( 0.587 -3.810 2.614) 4.658 3.599 ( 2.487 9.282 -3.789) 10.329 3.633 ( 5.403 5.453 -3.986) 8.650 3.755 ( 3.095 5.634 -2.979) 7.085 3.899 ( 2.669 -7.632 -3.886) 8.971 4.160 ( -5.844 7.276 8.894) 12.892 4.177 ( -2.970 9.209 6.332) 11.564 4.257 ( -1.732 -1.664 8.286) 8.627 4.357 ( -0.317 -4.511 -0.143) 4.524 4.432 ( -7.434 18.668 2.714) 20.277 4.824 ( -2.322 -9.144 -4.858) 10.611 5.060 ( -5.820 -6.996 0.929) 9.148 5.083 ( -2.573 -5.002 -1.377) 5.792 5.421 ( 1.948 7.590 2.955) 8.374 5.600 ( 0.999 -8.149 2.472) 8.574 5.756 ( -0.682 3.577 -5.699) 6.763 5.814 ( -0.456 -1.356 -3.240) 3.542 6.431 ( 1.480 3.988 2.365) 4.867 6.468 ( -1.287 0.508 0.095) 1.387 6.534 ( 0.978 7.828 7.242) 10.709 6.788 ( 3.590 -14.341 4.780) 15.537 7.113 ( -2.892 10.238 -3.379) 11.163 7.315 ( 3.056 9.976 -3.843) 11.119 7.356 ( -0.596 -11.580 -2.527) 11.868 7.527 ( -0.798 -9.495 -5.146) 10.829 7.740 ( 0.315 4.785 -1.974) 5.185 7.821 ( 3.387 -1.907 -0.511) 3.920 8.219 ( -5.293 5.147 -2.331) 7.742 8.311 ( -4.727 -1.460 1.349) 5.128 8.478 ( 6.124 6.203 1.184) 8.797 8.568 ( 3.303 -2.210 4.051) 5.675 8.670 ( -3.821 -0.143 -9.287) 10.043 8.739 ( -0.864 -2.927 -3.447) 4.605 9.058 ( -2.191 3.906 5.621) 7.187 9.177 ( -1.001 -6.040 10.663) 12.295 9.692 ( 2.663 5.534 -8.475) 10.466 9.774 ( 3.816 -2.013 -8.757) 9.762 10.202 ( -1.178 0.721 6.874) 7.012 10.242 ( -3.794 -3.492 9.548) 10.852 10.910 ( 0.449 6.875 0.463) 6.905 11.033 ( 0.875 -4.317 -0.333) 4.418 11.556 ( -2.246 8.742 -2.834) 9.460 11.615 ( 3.117 7.184 -1.714) 8.017 11.729 ( -1.434 -5.160 -2.273) 5.818 11.772 ( 2.835 -7.533 -1.963) 8.284 11.975 ( -0.419 0.873 -5.424) 5.510 12.092 ( 0.940 -9.606 -6.955) 11.896 12.518 ( 2.272 3.141 2.532) 4.630 12.673 ( 4.044 -10.739 4.513) 12.330 13.093 ( 2.685 4.125 3.854) 6.252 13.193 ( 2.795 -3.636 4.183) 6.207 13.576 ( -3.891 1.054 -0.471) 4.058 13.657 ( -3.563 -5.043 0.093) 6.176 13.873 ( 2.326 3.805 0.879) 4.545 13.956 ( 2.558 -4.508 2.509) 5.759 14.460 ( -1.667 11.108 0.968) 11.274 14.703 ( -1.757 -9.658 -0.104) 9.817 14.787 ( 0.266 2.894 -5.588) 6.299 14.868 ( -4.252 -2.898 -9.181) 10.524 15.183 ( 0.741 1.708 4.811) 5.159 15.234 ( 1.933 -2.734 6.724) 7.511 16.324 ( -4.134 3.333 -2.657) 5.938 16.397 ( -6.307 -3.279 -3.135) 7.769 16.552 ( 1.715 6.824 -0.460) 7.051 16.663 ( 0.239 -3.507 -0.286) 3.527 17.004 ( 3.784 6.809 3.547) 8.559 17.136 ( 2.216 -2.786 2.556) 4.382 17.352 ( -1.005 2.732 -4.495) 5.355 17.443 ( 1.745 -2.992 -6.178) 7.083 24.650 ( -0.149 0.633 2.591) 2.672 24.671 ( 1.610 -1.275 3.110) 3.727 24.971 ( -2.777 4.966 0.788) 5.744 25.057 ( -2.404 -2.936 3.755) 5.339 25.491 ( -1.292 0.504 1.711) 2.203 25.534 ( -0.232 -3.498 2.811) 4.494 25.879 ( -0.414 3.757 0.677) 3.840 25.949 ( -0.913 -2.701 0.678) 2.931 27.249 ( 0.711 5.768 2.708) 6.412 27.411 ( 0.889 -9.438 3.368) 10.061 27.737 ( 0.064 4.373 -0.180) 4.377 27.872 ( 0.316 -8.612 -3.414) 9.269 29.592 ( -0.008 4.808 1.009) 4.913 29.716 ( -0.260 -6.996 0.216) 7.004 31.424 ( 1.377 10.260 -6.341) 12.139 31.519 ( 1.921 0.918 -6.054) 6.417 ======================= Grid point 71 (39/104) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 4.795 14.185 11.735) 19.024 1.663 ( 8.050 3.071 6.770) 10.957 1.981 ( -4.245 1.964 3.598) 5.901 2.138 ( -3.979 -8.877 1.629) 9.864 2.604 ( 9.526 2.699 1.552) 10.022 2.661 ( 6.391 -1.957 1.160) 6.783 2.925 ( 5.049 8.249 2.478) 9.984 2.984 ( 4.082 3.038 5.851) 7.754 3.058 ( 2.923 -1.037 6.713) 7.395 3.137 ( 0.096 -8.525 1.635) 8.681 3.313 ( -0.062 2.224 1.780) 2.849 3.370 ( -0.298 -3.279 1.393) 3.575 3.636 ( 2.077 13.361 -2.724) 13.793 3.707 ( 0.149 4.664 -1.526) 4.909 3.785 ( -0.398 5.866 -2.840) 6.530 3.899 ( -2.045 -4.240 -0.723) 4.763 4.006 ( -10.377 19.666 6.543) 23.178 4.130 ( -0.680 3.913 5.067) 6.438 4.278 ( -0.245 -5.133 -1.073) 5.250 4.322 ( 1.243 -10.613 8.865) 13.884 4.458 ( 3.109 14.095 -1.595) 14.521 4.752 ( -2.353 -5.892 -5.680) 8.515 4.906 ( -10.505 -8.629 -0.312) 13.599 4.980 ( -5.818 -7.794 -2.840) 10.133 5.453 ( -1.193 7.061 4.058) 8.231 5.606 ( -1.062 -4.402 0.095) 4.530 5.783 ( 4.996 2.339 -1.028) 5.611 5.852 ( 6.145 -1.916 -2.265) 6.823 6.446 ( -0.679 2.612 1.274) 2.985 6.457 ( 0.614 1.301 3.142) 3.455 6.603 ( 1.412 8.291 6.613) 10.699 6.834 ( -1.587 -10.208 1.229) 10.403 7.017 ( -3.679 3.983 -3.064) 6.228 7.166 ( -9.557 -5.824 -6.726) 13.057 7.417 ( 4.536 2.125 -0.345) 5.021 7.534 ( 1.740 -6.901 -3.001) 7.724 7.812 ( 6.446 7.952 2.274) 10.486 7.909 ( 4.071 1.928 -4.333) 6.250 8.107 ( -1.277 -1.421 -3.203) 3.730 8.168 ( -8.348 -3.851 -3.856) 9.969 8.528 ( -1.234 0.897 -1.588) 2.202 8.552 ( -4.195 0.336 -6.121) 7.428 8.667 ( 3.906 3.214 4.228) 6.593 8.752 ( 1.355 -2.325 0.305) 2.708 9.079 ( 1.137 4.341 4.868) 6.621 9.197 ( -2.011 -6.200 8.988) 11.103 9.724 ( 4.469 6.127 -6.791) 10.180 9.820 ( 5.426 -2.575 -8.011) 10.013 10.183 ( -3.271 2.308 5.964) 7.183 10.262 ( 0.230 -4.879 8.242) 9.580 10.894 ( -2.580 6.876 1.090) 7.424 11.021 ( -1.957 -4.730 0.233) 5.124 11.432 ( -7.978 3.691 -3.288) 9.385 11.502 ( -9.787 -1.221 -4.215) 10.726 11.674 ( -1.146 5.649 -7.580) 9.522 11.810 ( 7.205 -5.048 1.762) 8.972 12.134 ( 10.507 0.357 -0.387) 10.520 12.224 ( 12.622 -9.086 -4.377) 16.157 12.597 ( 4.521 5.504 2.484) 7.543 12.783 ( 4.892 -11.272 2.385) 12.517 13.221 ( 8.172 4.931 5.624) 11.078 13.288 ( 4.681 0.110 3.457) 5.820 13.502 ( -2.744 -1.210 -0.643) 3.067 13.601 ( -2.054 -7.697 0.635) 7.992 13.920 ( 1.508 3.600 2.325) 4.543 14.003 ( 0.489 -4.541 3.316) 5.644 14.428 ( -2.025 10.284 -0.695) 10.504 14.600 ( -7.462 -3.506 -3.736) 9.051 14.705 ( -7.533 0.755 -9.655) 12.269 14.773 ( -0.452 -7.463 -3.769) 8.373 15.244 ( 3.479 4.648 6.989) 9.086 15.335 ( 5.341 -3.390 6.793) 9.283 16.185 ( -9.037 2.195 -4.929) 10.525 16.249 ( -7.362 -3.583 -4.302) 9.249 16.588 ( 2.357 7.682 -0.114) 8.036 16.691 ( 3.606 -2.686 -0.051) 4.497 17.062 ( -0.524 5.289 5.563) 7.694 17.169 ( 0.061 0.925 1.055) 1.404 17.281 ( -3.426 1.650 -4.317) 5.753 17.405 ( -2.567 -5.440 -6.327) 8.730 24.631 ( -3.292 2.524 2.903) 5.064 24.695 ( -1.518 -3.563 4.471) 5.916 24.924 ( -1.921 3.860 0.485) 4.339 25.002 ( -4.052 -3.525 1.050) 5.473 25.490 ( -0.069 1.788 2.879) 3.390 25.550 ( 0.353 -3.661 2.585) 4.495 25.875 ( -0.407 3.114 0.896) 3.266 25.931 ( -1.147 -2.062 0.322) 2.381 27.279 ( 0.621 6.289 3.134) 7.054 27.437 ( -0.226 -8.104 3.744) 8.930 27.738 ( 0.320 5.361 -0.837) 5.435 27.883 ( 2.452 -8.529 -2.814) 9.310 29.613 ( 1.460 3.696 1.133) 4.132 29.721 ( 0.617 -6.513 0.136) 6.543 31.436 ( 3.166 9.865 -6.413) 12.185 31.536 ( 3.160 0.245 -6.652) 7.368 ======================= Grid point 72 (40/104) ======================= q-point: (-0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 8.104 19.227 9.807) 23.055 1.771 ( 0.100 16.935 5.824) 17.908 2.026 ( 2.983 -8.182 8.528) 12.189 2.107 ( 2.684 -12.399 -0.698) 12.706 2.747 ( 4.159 -0.605 -2.021) 4.664 2.773 ( 5.139 -2.260 -0.965) 5.697 3.008 ( 1.791 6.318 2.438) 7.005 3.039 ( -1.582 2.443 1.998) 3.530 3.106 ( -2.989 -1.132 0.745) 3.281 3.170 ( 5.617 -2.324 6.400) 8.826 3.356 ( 2.288 2.382 2.339) 4.047 3.414 ( 3.492 -2.103 1.166) 4.239 3.491 ( -15.329 13.512 1.674) 20.503 3.607 ( -11.654 1.978 0.706) 11.842 3.692 ( 0.565 16.075 -1.771) 16.182 3.894 ( 2.377 19.670 -1.974) 19.911 4.029 ( 4.602 -3.567 1.026) 5.912 4.141 ( -2.707 2.188 5.302) 6.342 4.336 ( 3.094 -5.523 3.847) 7.408 4.375 ( 0.824 -15.404 4.235) 15.997 4.505 ( 3.368 7.460 1.419) 8.307 4.671 ( -6.053 -11.035 -3.892) 13.174 4.763 ( 0.214 -0.139 1.077) 1.107 4.900 ( -0.594 -9.193 0.684) 9.238 5.399 ( -5.950 8.734 2.622) 10.889 5.584 ( -1.329 -5.580 1.236) 5.867 5.900 ( 7.031 3.393 -0.050) 7.807 5.977 ( 6.968 -1.950 -2.483) 7.650 6.415 ( -6.004 4.806 1.782) 7.895 6.442 ( -5.712 0.660 4.588) 7.357 6.663 ( 4.318 4.361 0.555) 6.162 6.786 ( 1.282 -4.989 -7.252) 8.895 6.926 ( -4.191 3.865 -1.895) 6.007 7.063 ( -1.218 -9.787 2.551) 10.187 7.480 ( 2.412 1.361 -0.139) 2.773 7.552 ( 1.236 -5.236 -3.133) 6.226 7.831 ( -2.191 5.548 -6.411) 8.757 7.919 ( -2.485 -1.769 -3.685) 4.784 8.080 ( 6.721 6.655 1.545) 9.583 8.216 ( 6.744 -4.294 -0.588) 8.016 8.459 ( -2.874 0.923 -0.903) 3.151 8.473 ( -1.514 0.682 -3.077) 3.497 8.713 ( -1.205 0.042 3.442) 3.647 8.756 ( -0.821 -1.924 -1.205) 2.414 9.112 ( -0.492 3.210 3.896) 5.072 9.188 ( -3.587 -4.341 8.237) 9.978 9.774 ( 4.196 6.270 -7.190) 10.421 9.878 ( 4.530 -2.868 -8.842) 10.341 10.159 ( -2.557 4.999 7.009) 8.981 10.307 ( 0.191 -8.382 7.254) 11.086 10.836 ( -3.922 6.983 1.411) 8.132 10.971 ( -3.065 -5.095 -0.226) 5.950 11.305 ( -3.441 0.105 -3.078) 4.618 11.327 ( -5.601 -1.955 -4.164) 7.248 11.670 ( 2.859 13.050 -3.378) 13.780 11.943 ( 6.436 -10.616 0.025) 12.415 12.298 ( 7.286 3.508 -3.680) 8.885 12.409 ( 7.662 -7.634 -3.097) 11.250 12.683 ( 3.224 4.234 -0.052) 5.322 12.842 ( 0.553 -10.065 -1.632) 10.211 13.327 ( -0.526 8.006 -5.005) 9.457 13.413 ( 7.979 4.030 3.561) 9.623 13.517 ( 1.662 -7.056 2.901) 7.809 13.624 ( 3.739 -10.253 7.193) 13.071 13.937 ( -1.009 2.415 1.286) 2.916 13.997 ( -2.467 -3.105 2.093) 4.484 14.351 ( -5.039 4.646 -2.507) 7.298 14.429 ( -7.273 -2.138 -3.165) 8.215 14.566 ( -1.241 7.716 -2.554) 8.222 14.759 ( 0.802 -9.832 -1.306) 9.951 15.354 ( 2.673 6.783 5.627) 9.210 15.480 ( 5.461 -4.640 5.832) 9.240 15.987 ( -8.047 4.441 -2.058) 9.419 16.104 ( -4.787 -6.511 -1.310) 8.187 16.648 ( 4.137 10.433 -0.481) 11.234 16.782 ( 5.428 -3.078 -0.992) 6.318 17.013 ( -7.257 4.680 3.848) 9.454 17.157 ( -0.941 1.360 -1.265) 2.082 17.211 ( -2.673 -2.511 -1.713) 4.048 17.307 ( -3.159 -3.962 -6.460) 8.210 24.573 ( -3.466 3.046 1.727) 4.927 24.648 ( -5.101 -4.272 3.403) 7.474 24.917 ( 0.300 2.026 2.450) 3.193 24.953 ( -1.489 -1.260 1.823) 2.670 25.509 ( 0.053 1.713 3.805) 4.173 25.567 ( 0.142 -3.635 2.257) 4.281 25.874 ( -0.320 2.442 1.247) 2.761 25.916 ( -0.565 -1.464 0.649) 1.698 27.293 ( -0.653 5.903 2.222) 6.341 27.436 ( -1.434 -7.168 2.141) 7.617 27.743 ( 0.734 7.744 -1.231) 7.876 27.921 ( 2.381 -8.994 -1.798) 9.476 29.647 ( 1.279 2.509 0.998) 2.988 29.736 ( 0.805 -5.883 0.289) 5.945 31.470 ( 3.490 8.504 -6.159) 11.065 31.563 ( 3.325 -0.150 -7.999) 8.664 ======================= Grid point 91 (41/104) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -4.264 0.000 25.958) 26.306 1.147 ( -3.706 0.000 30.153) 30.380 1.901 ( -6.869 0.000 33.648) 34.342 2.258 ( 3.094 0.000 -6.566) 7.258 2.553 ( -0.226 0.000 13.402) 13.404 2.636 ( 1.829 0.000 -0.818) 2.003 2.747 ( -0.834 0.000 16.386) 16.408 2.852 ( -6.298 0.000 3.559) 7.234 3.023 ( -3.735 0.000 5.502) 6.650 3.093 ( -3.385 0.000 -1.034) 3.539 3.131 ( 0.946 0.000 7.196) 7.258 3.182 ( 6.149 0.000 2.185) 6.526 3.289 ( 2.210 0.000 10.545) 10.774 3.476 ( -3.100 0.000 0.625) 3.162 3.496 ( 0.208 0.000 -0.367) 0.422 3.668 ( -1.223 0.000 2.509) 2.791 3.951 ( 1.419 0.000 -10.393) 10.489 3.999 ( 0.452 0.000 1.248) 1.327 4.132 ( 8.569 0.000 2.125) 8.828 4.198 ( -3.121 0.000 10.453) 10.909 4.753 ( -0.349 0.000 -10.273) 10.279 4.820 ( -0.444 0.000 5.451) 5.469 5.111 ( 5.545 0.000 -5.981) 8.156 5.522 ( -2.867 0.000 1.366) 3.176 5.722 ( 13.500 0.000 -7.261) 15.329 5.765 ( -8.994 0.000 -3.832) 9.776 6.039 ( -1.389 0.000 0.887) 1.648 6.113 ( 5.235 0.000 -8.358) 9.863 6.170 ( -4.438 0.000 9.071) 10.099 6.411 ( -7.328 0.000 -4.582) 8.643 6.541 ( -5.737 0.000 -2.741) 6.358 6.597 ( 4.164 0.000 0.622) 4.210 6.728 ( -2.346 0.000 -2.738) 3.606 7.099 ( -4.520 0.000 -17.197) 17.781 7.326 ( 9.915 0.000 5.390) 11.285 7.566 ( 1.924 0.000 1.885) 2.693 7.630 ( -1.203 0.000 -1.005) 1.568 7.859 ( -0.299 0.000 -1.665) 1.692 7.958 ( 1.724 0.000 6.045) 6.286 8.238 ( -7.650 0.000 -2.103) 7.934 8.481 ( 2.742 0.000 6.754) 7.289 8.529 ( 1.456 0.000 -5.645) 5.829 8.737 ( -3.027 0.000 3.053) 4.299 9.072 ( -3.179 0.000 -4.064) 5.160 9.105 ( 0.162 0.000 7.290) 7.292 9.106 ( 9.216 0.000 -8.312) 12.411 9.260 ( 2.601 0.000 -8.064) 8.473 9.866 ( -14.893 0.000 -5.803) 15.984 10.318 ( -5.449 0.000 7.465) 9.242 10.460 ( 0.179 0.000 5.247) 5.250 10.994 ( 4.111 0.000 0.387) 4.129 11.065 ( 2.321 0.000 -2.488) 3.403 11.191 ( -0.867 0.000 -4.551) 4.633 11.282 ( -1.509 0.000 -4.763) 4.996 11.815 ( -1.167 0.000 4.030) 4.196 11.833 ( 1.911 0.000 7.244) 7.492 12.227 ( 6.273 0.000 6.879) 9.310 12.481 ( -3.945 0.000 0.628) 3.994 12.802 ( 1.770 0.000 -3.055) 3.531 13.019 ( 3.971 0.000 -11.782) 12.434 13.036 ( 7.453 0.000 -6.785) 10.079 13.444 ( -12.215 0.000 -19.248) 22.796 13.709 ( 13.563 0.000 -4.404) 14.261 13.715 ( -2.929 0.000 3.524) 4.582 13.966 ( -12.342 0.000 4.687) 13.202 14.198 ( -16.152 0.000 3.135) 16.454 14.281 ( 0.328 0.000 0.014) 0.328 14.655 ( 4.809 0.000 11.079) 12.078 14.817 ( -5.937 0.000 -2.883) 6.600 15.102 ( 6.083 0.000 -4.069) 7.319 15.306 ( 7.719 0.000 -0.667) 7.747 15.548 ( 2.652 0.000 -0.942) 2.814 16.040 ( 17.514 0.000 0.993) 17.542 16.220 ( -13.535 0.000 -2.679) 13.797 16.493 ( 10.152 0.000 4.042) 10.927 16.505 ( 5.221 0.000 7.829) 9.410 16.653 ( 0.584 0.000 -0.009) 0.584 16.887 ( 1.088 0.000 -1.613) 1.946 17.033 ( -7.075 0.000 6.145) 9.371 17.506 ( -2.141 0.000 -3.221) 3.868 24.440 ( -0.031 0.000 2.775) 2.775 24.686 ( -7.481 0.000 -2.634) 7.931 24.996 ( -1.996 0.000 4.925) 5.314 25.125 ( -1.665 0.000 11.608) 11.727 25.712 ( -1.772 0.000 -2.832) 3.341 25.723 ( -2.688 0.000 2.771) 3.860 25.932 ( 0.607 0.000 4.728) 4.767 26.355 ( -17.247 0.000 -4.969) 17.948 27.364 ( 0.119 0.000 9.079) 9.080 27.623 ( -3.566 0.000 4.448) 5.701 28.207 ( 3.713 0.000 -9.025) 9.759 28.283 ( 35.676 0.000 -8.744) 36.732 29.506 ( 0.067 0.000 0.876) 0.879 29.741 ( -0.774 0.000 -2.583) 2.696 30.483 ( -4.904 0.000 0.618) 4.943 30.682 ( 0.323 0.000 -2.237) 2.261 ======================= Grid point 92 (42/104) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 15.592 0.000 21.764) 26.772 1.320 ( 4.522 0.000 31.434) 31.758 1.902 ( -10.290 0.000 26.284) 28.227 2.268 ( 1.580 0.000 -7.091) 7.265 2.579 ( -4.764 0.000 11.449) 12.401 2.609 ( -2.566 0.000 -4.430) 5.120 2.679 ( -13.043 0.000 2.830) 13.346 2.829 ( 0.865 0.000 14.587) 14.613 2.946 ( -7.409 0.000 11.444) 13.633 2.987 ( -5.399 0.000 -0.390) 5.413 3.192 ( 2.540 0.000 -0.557) 2.601 3.253 ( -0.797 0.000 1.219) 1.456 3.394 ( -3.296 0.000 -1.120) 3.481 3.429 ( -2.301 0.000 2.640) 3.502 3.471 ( 4.111 0.000 15.261) 15.805 3.629 ( -2.950 0.000 3.448) 4.538 3.956 ( 3.740 0.000 -8.659) 9.432 4.012 ( 1.665 0.000 0.300) 1.692 4.186 ( -2.653 0.000 10.444) 10.776 4.415 ( 15.013 0.000 1.127) 15.055 4.571 ( -12.575 0.000 -12.126) 17.469 4.819 ( -3.483 0.000 8.391) 9.085 5.139 ( -0.523 0.000 -4.614) 4.644 5.486 ( 0.159 0.000 -1.627) 1.634 5.534 ( -10.736 0.000 -4.166) 11.516 5.838 ( 1.895 0.000 -10.094) 10.271 6.070 ( 3.776 0.000 1.505) 4.065 6.138 ( -3.477 0.000 5.029) 6.114 6.155 ( 3.210 0.000 -16.332) 16.645 6.319 ( 0.536 0.000 2.806) 2.856 6.425 ( -5.786 0.000 2.938) 6.489 6.706 ( 6.849 0.000 -0.444) 6.864 6.724 ( 4.464 0.000 -0.857) 4.546 6.973 ( -0.598 0.000 -14.305) 14.317 7.573 ( 7.647 0.000 3.857) 8.565 7.579 ( 0.669 0.000 -3.125) 3.196 7.649 ( 8.786 0.000 5.280) 10.250 7.883 ( 1.713 0.000 0.479) 1.779 8.056 ( -9.232 0.000 0.074) 9.233 8.059 ( 2.497 0.000 4.266) 4.943 8.412 ( -6.792 0.000 -10.168) 12.228 8.616 ( 8.613 0.000 5.772) 10.368 8.762 ( 1.496 0.000 0.603) 1.613 8.904 ( -9.209 0.000 0.714) 9.237 9.005 ( -7.265 0.000 -13.150) 15.024 9.240 ( 6.794 0.000 4.008) 7.888 9.377 ( 4.176 0.000 -7.766) 8.818 9.593 ( -8.112 0.000 7.627) 11.134 10.305 ( 0.874 0.000 6.654) 6.711 10.419 ( -6.094 0.000 4.726) 7.712 11.073 ( 0.088 0.000 2.810) 2.811 11.110 ( 2.904 0.000 -7.482) 8.026 11.212 ( -3.021 0.000 -1.611) 3.423 11.264 ( 12.866 0.000 -4.769) 13.722 11.895 ( 0.570 0.000 5.317) 5.348 11.897 ( 5.281 0.000 6.828) 8.632 12.300 ( -4.736 0.000 7.915) 9.224 12.392 ( -4.619 0.000 -0.248) 4.626 12.801 ( -0.624 0.000 -1.789) 1.894 12.963 ( -0.104 0.000 -13.707) 13.707 13.110 ( -13.098 0.000 -15.949) 20.638 13.138 ( 4.294 0.000 -10.481) 11.327 13.615 ( -4.428 0.000 9.282) 10.284 13.836 ( 4.055 0.000 -5.908) 7.166 13.862 ( -3.967 0.000 8.222) 9.128 14.072 ( -1.919 0.000 6.234) 6.523 14.369 ( 6.474 0.000 2.964) 7.120 14.656 ( -7.425 0.000 -4.901) 8.896 14.864 ( 10.908 0.000 9.115) 14.215 15.111 ( 1.319 0.000 -6.674) 6.803 15.462 ( 6.343 0.000 3.058) 7.042 15.477 ( -4.720 0.000 -8.415) 9.648 15.936 ( -13.309 0.000 -5.261) 14.311 16.372 ( 11.823 0.000 -3.271) 12.267 16.589 ( -3.643 0.000 7.471) 8.312 16.649 ( 2.369 0.000 -3.444) 4.181 16.668 ( 4.844 0.000 3.706) 6.099 16.894 ( 2.085 0.000 -4.299) 4.778 16.989 ( -0.222 0.000 9.399) 9.402 17.459 ( -0.954 0.000 -2.626) 2.794 24.498 ( 4.361 0.000 3.388) 5.522 24.615 ( 0.422 0.000 0.500) 0.655 24.960 ( -4.476 0.000 5.008) 6.716 25.193 ( 1.745 0.000 13.383) 13.496 25.660 ( -2.379 0.000 -1.191) 2.660 25.680 ( -2.764 0.000 2.390) 3.655 25.974 ( 0.847 0.000 5.173) 5.242 26.117 ( -8.368 0.000 1.611) 8.522 27.348 ( -5.911 0.000 7.186) 9.305 27.619 ( 0.517 0.000 5.205) 5.231 28.178 ( 0.547 0.000 -11.293) 11.307 28.609 ( 6.670 0.000 -19.031) 20.166 29.521 ( 0.889 0.000 1.073) 1.394 29.781 ( 5.725 0.000 -3.838) 6.892 30.456 ( 1.223 0.000 2.210) 2.526 30.672 ( -0.145 0.000 -2.255) 2.260 ======================= Grid point 93 (43/104) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 3.936 0.000 27.835) 28.112 1.663 ( 15.075 0.000 18.638) 23.972 1.792 ( -8.147 0.000 16.697) 18.578 2.230 ( -3.891 0.000 -2.343) 4.542 2.452 ( -8.715 0.000 -0.142) 8.717 2.484 ( -9.264 0.000 4.757) 10.414 2.534 ( -2.992 0.000 -2.604) 3.966 2.833 ( -7.333 0.000 1.291) 7.446 2.897 ( -5.752 0.000 20.461) 21.254 2.935 ( -1.804 0.000 5.073) 5.384 3.171 ( -6.377 0.000 2.255) 6.764 3.216 ( 1.196 0.000 -3.119) 3.340 3.310 ( -5.106 0.000 -3.501) 6.191 3.394 ( 3.064 0.000 -3.564) 4.700 3.599 ( -2.151 0.000 2.767) 3.505 3.702 ( 5.813 0.000 21.196) 21.979 3.976 ( 0.884 0.000 -6.239) 6.302 4.040 ( 0.345 0.000 0.869) 0.935 4.153 ( -14.573 0.000 0.825) 14.596 4.288 ( 0.468 0.000 -3.467) 3.498 4.614 ( 6.970 0.000 -4.974) 8.563 4.781 ( -4.215 0.000 7.931) 8.982 5.050 ( -5.336 0.000 -5.940) 7.985 5.366 ( -4.562 0.000 -4.153) 6.169 5.532 ( 3.944 0.000 1.235) 4.133 5.779 ( -0.867 0.000 -9.347) 9.387 6.082 ( -3.468 0.000 3.773) 5.125 6.108 ( -0.705 0.000 -6.261) 6.301 6.168 ( 5.155 0.000 0.472) 5.176 6.370 ( -3.536 0.000 9.740) 10.362 6.400 ( 4.514 0.000 3.408) 5.656 6.795 ( 2.075 0.000 -4.408) 4.872 6.873 ( 9.299 0.000 0.737) 9.328 6.961 ( 7.318 0.000 -9.965) 12.364 7.649 ( 6.331 0.000 -0.894) 6.394 7.661 ( 2.485 0.000 5.415) 5.958 7.729 ( -5.167 0.000 -1.768) 5.461 7.872 ( -2.468 0.000 -2.213) 3.315 8.090 ( 9.412 0.000 4.940) 10.630 8.100 ( 1.656 0.000 1.651) 2.338 8.212 ( -6.827 0.000 -7.823) 10.383 8.747 ( -3.016 0.000 0.927) 3.156 8.761 ( 2.535 0.000 -5.294) 5.869 8.803 ( -0.780 0.000 -1.281) 1.500 8.823 ( -6.692 0.000 -0.262) 6.697 9.355 ( 3.676 0.000 -9.219) 9.925 9.358 ( 3.131 0.000 4.128) 5.181 9.599 ( -0.693 0.000 8.427) 8.455 10.316 ( -6.227 0.000 2.847) 6.847 10.421 ( 8.237 0.000 4.234) 9.261 11.011 ( -8.770 0.000 -2.165) 9.034 11.071 ( -1.033 0.000 3.646) 3.789 11.243 ( 5.963 0.000 -3.049) 6.697 11.512 ( 13.285 0.000 -3.297) 13.688 11.872 ( -4.892 0.000 0.032) 4.892 12.040 ( 4.848 0.000 5.818) 7.573 12.138 ( -12.303 0.000 6.116) 13.739 12.353 ( 0.742 0.000 1.426) 1.607 12.761 ( -2.217 0.000 -4.209) 4.757 12.847 ( -6.942 0.000 -8.893) 11.281 12.893 ( -0.832 0.000 -11.540) 11.570 13.118 ( 0.627 0.000 -11.841) 11.858 13.671 ( 1.291 0.000 6.657) 6.781 13.845 ( 0.646 0.000 4.921) 4.963 13.875 ( 3.835 0.000 -3.782) 5.387 14.150 ( 3.399 0.000 14.679) 15.067 14.451 ( -2.142 0.000 -2.701) 3.447 14.535 ( -0.365 0.000 0.698) 0.788 15.111 ( 9.947 0.000 4.122) 10.767 15.126 ( 3.812 0.000 -5.907) 7.031 15.334 ( -4.628 0.000 -13.280) 14.063 15.458 ( -9.446 0.000 3.043) 9.924 15.799 ( 2.985 0.000 -3.035) 4.257 16.449 ( -1.569 0.000 1.464) 2.146 16.456 ( -8.414 0.000 -2.373) 8.743 16.663 ( -4.425 0.000 -1.403) 4.642 16.678 ( 0.321 0.000 -1.275) 1.315 16.953 ( 4.976 0.000 -4.390) 6.636 17.103 ( 4.923 0.000 10.374) 11.483 17.456 ( 1.417 0.000 -0.049) 1.418 24.619 ( 6.043 0.000 3.818) 7.148 24.672 ( 4.258 0.000 1.497) 4.514 24.882 ( -6.338 0.000 5.299) 8.261 25.305 ( 3.750 0.000 9.391) 10.112 25.631 ( -1.065 0.000 5.006) 5.118 25.654 ( -1.327 0.000 2.726) 3.032 26.004 ( -0.598 0.000 5.257) 5.291 26.023 ( -3.417 0.000 2.370) 4.158 27.257 ( -5.937 0.000 4.392) 7.385 27.666 ( 0.829 0.000 6.388) 6.441 28.100 ( -2.221 0.000 -16.867) 17.013 28.516 ( -4.195 0.000 -13.992) 14.608 29.542 ( 0.505 0.000 1.284) 1.380 29.850 ( 2.889 0.000 -3.312) 4.395 30.524 ( 4.916 0.000 -0.903) 4.999 30.659 ( 0.086 0.000 -2.095) 2.096 ======================= Grid point 94 (44/104) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -16.254 0.000 21.794) 27.188 1.651 ( -8.705 0.000 18.764) 20.685 2.119 ( -8.018 0.000 9.496) 12.428 2.130 ( 18.376 0.000 7.232) 19.748 2.352 ( 0.037 0.000 -1.900) 1.900 2.447 ( 4.604 0.000 0.949) 4.701 2.456 ( -7.288 0.000 1.947) 7.543 2.650 ( -9.717 0.000 -0.070) 9.717 2.854 ( -9.503 0.000 22.120) 24.075 2.928 ( -1.313 0.000 2.402) 2.738 3.096 ( -3.750 0.000 6.993) 7.935 3.203 ( -0.059 0.000 -6.231) 6.232 3.247 ( 0.138 0.000 -3.867) 3.869 3.437 ( 4.030 0.000 -7.676) 8.670 3.578 ( -1.756 0.000 4.285) 4.631 3.720 ( -14.933 0.000 -2.070) 15.076 3.888 ( 1.444 0.000 17.830) 17.888 4.023 ( -2.391 0.000 0.489) 2.441 4.051 ( 1.750 0.000 -1.835) 2.536 4.411 ( 9.217 0.000 -4.014) 10.054 4.618 ( -4.564 0.000 -0.985) 4.669 4.782 ( 1.972 0.000 -0.393) 2.011 4.929 ( -2.925 0.000 -6.176) 6.833 5.321 ( 1.572 0.000 -4.114) 4.405 5.588 ( -0.209 0.000 4.531) 4.536 5.767 ( 3.290 0.000 -2.140) 3.925 6.064 ( -0.220 0.000 2.503) 2.513 6.077 ( -0.855 0.000 -0.779) 1.157 6.260 ( 3.376 0.000 2.648) 4.291 6.388 ( 0.333 0.000 10.136) 10.141 6.491 ( 3.127 0.000 2.852) 4.232 6.758 ( -1.401 0.000 -8.118) 8.238 6.992 ( 1.748 0.000 0.987) 2.007 7.120 ( 11.830 0.000 -4.746) 12.746 7.603 ( -5.810 0.000 -3.186) 6.626 7.694 ( -4.393 0.000 0.431) 4.414 7.696 ( -2.875 0.000 -2.723) 3.960 7.834 ( 1.047 0.000 -1.915) 2.183 7.988 ( -3.554 0.000 2.124) 4.141 8.157 ( 4.433 0.000 0.043) 4.434 8.395 ( 11.398 0.000 0.285) 11.402 8.657 ( -5.551 0.000 -9.615) 11.102 8.727 ( 0.141 0.000 2.276) 2.280 8.752 ( -4.996 0.000 6.133) 7.911 8.828 ( 4.326 0.000 -0.184) 4.330 9.387 ( -1.860 0.000 3.293) 3.782 9.404 ( 4.786 0.000 -14.430) 15.203 9.642 ( 2.210 0.000 9.073) 9.338 10.243 ( -2.395 0.000 1.953) 3.090 10.626 ( 11.380 0.000 2.562) 11.665 10.816 ( -11.736 0.000 2.421) 11.983 11.074 ( -0.990 0.000 4.289) 4.402 11.358 ( 6.830 0.000 -2.850) 7.400 11.624 ( -2.007 0.000 -8.235) 8.476 11.765 ( -3.257 0.000 2.936) 4.385 11.902 ( -9.892 0.000 5.428) 11.284 12.221 ( 7.617 0.000 3.310) 8.305 12.414 ( 3.649 0.000 1.353) 3.891 12.742 ( 6.185 0.000 -9.660) 11.471 12.768 ( 0.066 0.000 0.044) 0.079 12.824 ( -1.143 0.000 -8.150) 8.230 13.044 ( -1.850 0.000 -13.402) 13.530 13.665 ( -1.432 0.000 -0.742) 1.613 13.947 ( 5.109 0.000 -4.043) 6.515 13.957 ( 5.019 0.000 12.884) 13.827 14.282 ( 1.334 0.000 14.911) 14.971 14.358 ( -2.757 0.000 -3.065) 4.122 14.554 ( -1.713 0.000 2.694) 3.193 15.140 ( -6.556 0.000 -6.378) 9.147 15.167 ( -2.017 0.000 -15.302) 15.435 15.212 ( 4.654 0.000 -5.354) 7.094 15.363 ( -0.960 0.000 5.740) 5.820 15.909 ( 7.515 0.000 1.391) 7.643 16.252 ( -10.526 0.000 -1.003) 10.574 16.426 ( -2.178 0.000 0.557) 2.248 16.567 ( -3.664 0.000 -2.368) 4.362 16.655 ( -1.624 0.000 -1.455) 2.181 16.980 ( 0.296 0.000 -5.364) 5.372 17.212 ( 1.003 0.000 8.862) 8.919 17.503 ( 2.775 0.000 1.524) 3.165 24.689 ( -3.485 0.000 2.667) 4.389 24.762 ( 3.717 0.000 2.973) 4.760 24.833 ( 1.039 0.000 6.434) 6.517 25.381 ( 1.471 0.000 -2.904) 3.255 25.660 ( 0.334 0.000 3.399) 3.415 25.697 ( 2.971 0.000 12.414) 12.765 26.001 ( -2.448 0.000 4.946) 5.519 26.027 ( 3.016 0.000 9.049) 9.539 27.197 ( -2.281 0.000 3.739) 4.380 27.701 ( -0.560 0.000 6.603) 6.627 27.904 ( -8.400 0.000 -23.647) 25.095 28.387 ( -3.073 0.000 -9.316) 9.810 29.547 ( -0.672 0.000 1.289) 1.454 29.860 ( -0.095 0.000 -1.761) 1.763 30.607 ( 4.689 0.000 -3.621) 5.924 30.658 ( 0.797 0.000 -1.911) 2.070 ======================= Grid point 95 (45/104) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -18.308 0.000 20.468) 27.461 1.446 ( -19.839 0.000 17.192) 26.251 2.103 ( 1.739 0.000 8.006) 8.193 2.164 ( -20.924 0.000 15.984) 26.331 2.421 ( 5.096 0.000 1.302) 5.260 2.450 ( 7.413 0.000 0.328) 7.420 2.592 ( 3.138 0.000 3.828) 4.950 2.606 ( 10.055 0.000 2.820) 10.443 2.835 ( -2.586 0.000 21.170) 21.327 2.954 ( 4.709 0.000 0.826) 4.781 3.079 ( -3.081 0.000 9.439) 9.929 3.191 ( 1.110 0.000 -3.111) 3.303 3.238 ( -1.063 0.000 1.431) 1.783 3.457 ( 2.657 0.000 -8.647) 9.046 3.516 ( -6.035 0.000 0.282) 6.042 3.584 ( 0.158 0.000 3.979) 3.982 3.970 ( -3.129 0.000 1.163) 3.338 3.980 ( 2.659 0.000 -0.778) 2.771 4.103 ( 1.845 0.000 10.406) 10.569 4.463 ( -10.896 0.000 -1.671) 11.023 4.538 ( 8.308 0.000 -8.740) 12.059 4.794 ( -0.444 0.000 0.744) 0.866 4.932 ( 5.723 0.000 -6.646) 8.770 5.371 ( 5.437 0.000 -3.260) 6.339 5.581 ( -2.701 0.000 6.171) 6.736 5.868 ( 6.125 0.000 1.903) 6.414 6.061 ( -1.357 0.000 2.040) 2.450 6.078 ( 0.071 0.000 1.632) 1.634 6.298 ( -2.717 0.000 8.451) 8.877 6.476 ( 5.378 0.000 2.491) 5.927 6.531 ( 1.126 0.000 -2.773) 2.993 6.682 ( -3.356 0.000 -4.446) 5.570 6.945 ( -6.243 0.000 -0.087) 6.244 7.300 ( 8.902 0.000 -7.573) 11.687 7.439 ( -10.699 0.000 -2.727) 11.041 7.565 ( -3.799 0.000 -2.682) 4.650 7.592 ( -4.340 0.000 -3.482) 5.564 7.819 ( -1.963 0.000 -0.977) 2.192 8.096 ( 8.469 0.000 8.541) 12.027 8.260 ( 5.723 0.000 -2.059) 6.082 8.457 ( -11.980 0.000 -2.798) 12.302 8.495 ( 1.473 0.000 -5.145) 5.351 8.748 ( 1.541 0.000 7.464) 7.622 8.767 ( 2.440 0.000 2.960) 3.836 8.943 ( 5.438 0.000 1.611) 5.671 9.334 ( -5.070 0.000 2.254) 5.548 9.375 ( 2.167 0.000 -18.798) 18.922 9.779 ( 8.122 0.000 5.814) 9.988 10.259 ( 2.848 0.000 3.010) 4.144 10.611 ( -11.560 0.000 3.849) 12.185 10.853 ( 11.104 0.000 2.327) 11.345 11.060 ( -2.796 0.000 2.581) 3.805 11.407 ( -1.173 0.000 -1.071) 1.588 11.442 ( -9.039 0.000 -7.920) 12.018 11.758 ( -1.346 0.000 4.997) 5.175 11.862 ( 2.923 0.000 3.463) 4.531 12.302 ( -1.524 0.000 -8.031) 8.174 12.479 ( 2.777 0.000 1.153) 3.007 12.745 ( 1.218 0.000 -3.347) 3.562 12.785 ( 1.249 0.000 -2.548) 2.838 12.969 ( 2.616 0.000 -11.775) 12.062 12.986 ( 19.283 0.000 -5.156) 19.961 13.655 ( 0.267 0.000 2.305) 2.321 13.956 ( -1.443 0.000 -12.500) 12.583 14.141 ( 5.442 0.000 15.012) 15.968 14.339 ( 1.612 0.000 12.461) 12.565 14.371 ( 3.211 0.000 4.176) 5.268 14.487 ( -5.302 0.000 2.453) 5.842 14.972 ( -9.228 0.000 -18.569) 20.735 14.986 ( -6.186 0.000 -1.928) 6.480 15.332 ( -3.584 0.000 -2.899) 4.610 15.340 ( 6.790 0.000 2.120) 7.113 16.077 ( 9.260 0.000 3.339) 9.843 16.081 ( -6.103 0.000 -4.333) 7.485 16.379 ( -3.301 0.000 2.326) 4.038 16.513 ( -2.356 0.000 0.294) 2.374 16.623 ( -1.011 0.000 0.524) 1.138 16.928 ( -2.288 0.000 -5.185) 5.667 17.222 ( -4.074 0.000 7.255) 8.321 17.551 ( 1.368 0.000 0.525) 1.465 24.578 ( -7.498 0.000 2.671) 7.960 24.828 ( 1.459 0.000 3.501) 3.793 24.921 ( 3.153 0.000 5.692) 6.507 25.327 ( -4.494 0.000 -6.504) 7.905 25.695 ( 1.288 0.000 3.963) 4.167 25.764 ( 0.111 0.000 1.118) 1.123 25.965 ( -3.568 0.000 4.297) 5.586 26.342 ( 22.758 0.000 21.580) 31.363 27.212 ( 1.429 0.000 5.124) 5.319 27.564 ( -14.869 0.000 -22.331) 26.828 27.707 ( -2.360 0.000 6.392) 6.814 28.304 ( -1.471 0.000 -7.925) 8.060 29.532 ( -1.440 0.000 1.122) 1.826 29.838 ( -1.394 0.000 -1.200) 1.840 30.646 ( 1.632 0.000 -5.979) 6.197 30.668 ( 1.241 0.000 -1.903) 2.272 ======================= Grid point 96 (46/104) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -18.530 0.000 20.222) 27.428 1.195 ( -15.567 0.000 23.310) 28.030 1.920 ( -15.107 0.000 31.764) 35.174 2.202 ( 4.582 0.000 1.560) 4.840 2.493 ( 1.221 0.000 6.055) 6.177 2.557 ( 5.476 0.000 1.074) 5.580 2.687 ( 0.307 0.000 13.045) 13.048 2.819 ( 9.006 0.000 3.036) 9.504 2.949 ( 4.727 0.000 10.431) 11.452 3.060 ( 1.021 0.000 6.087) 6.172 3.098 ( 3.885 0.000 2.689) 4.725 3.161 ( -4.600 0.000 4.119) 6.174 3.244 ( 0.086 0.000 4.569) 4.570 3.476 ( 0.886 0.000 -0.907) 1.268 3.477 ( 2.354 0.000 -1.391) 2.734 3.620 ( 3.175 0.000 -0.421) 3.202 3.942 ( -0.189 0.000 3.224) 3.229 3.987 ( 0.989 0.000 -9.016) 9.070 4.178 ( -0.408 0.000 11.217) 11.224 4.230 ( -11.864 0.000 -1.972) 12.027 4.679 ( 10.614 0.000 -6.777) 12.593 4.798 ( 0.079 0.000 2.860) 2.861 5.022 ( 7.022 0.000 -6.942) 9.874 5.491 ( 10.101 0.000 -3.410) 10.661 5.559 ( -2.773 0.000 5.111) 5.815 5.916 ( -3.079 0.000 -2.380) 3.891 6.067 ( 1.646 0.000 1.666) 2.342 6.072 ( -1.508 0.000 0.916) 1.765 6.239 ( -7.503 0.000 9.761) 12.312 6.522 ( 0.839 0.000 -7.935) 7.979 6.584 ( 3.855 0.000 -1.015) 3.986 6.590 ( -5.219 0.000 1.350) 5.391 6.810 ( -5.950 0.000 -2.493) 6.451 7.265 ( -5.334 0.000 1.217) 5.471 7.280 ( -3.731 0.000 -17.707) 18.096 7.535 ( 0.768 0.000 -0.676) 1.023 7.582 ( 3.384 0.000 1.391) 3.659 7.811 ( 1.323 0.000 4.151) 4.357 8.130 ( -13.313 0.000 -8.813) 15.966 8.286 ( 5.093 0.000 4.231) 6.621 8.403 ( 2.301 0.000 8.038) 8.361 8.469 ( 1.179 0.000 -4.089) 4.255 8.807 ( -1.542 0.000 2.352) 2.813 8.884 ( 9.662 0.000 5.258) 11.000 9.005 ( 2.282 0.000 0.223) 2.293 9.229 ( -7.196 0.000 2.044) 7.481 9.320 ( 1.586 0.000 -18.590) 18.658 9.959 ( 7.165 0.000 -2.044) 7.451 10.365 ( 5.833 0.000 4.271) 7.229 10.431 ( -9.761 0.000 4.752) 10.857 11.000 ( -3.493 0.000 0.154) 3.496 11.027 ( 5.466 0.000 0.215) 5.471 11.272 ( -5.257 0.000 -5.319) 7.479 11.340 ( -4.256 0.000 -0.447) 4.280 11.774 ( 0.345 0.000 6.530) 6.539 11.922 ( -2.887 0.000 -5.676) 6.368 12.126 ( -3.306 0.000 -2.404) 4.088 12.514 ( -0.206 0.000 1.703) 1.716 12.771 ( 3.104 0.000 -3.943) 5.018 12.873 ( 8.210 0.000 -2.380) 8.548 13.015 ( 5.794 0.000 -10.536) 12.024 13.356 ( 21.770 0.000 -5.406) 22.431 13.692 ( 1.148 0.000 5.369) 5.490 13.773 ( -9.441 0.000 -16.947) 19.399 14.134 ( -6.924 0.000 1.655) 7.119 14.341 ( -4.978 0.000 -0.936) 5.065 14.534 ( 3.647 0.000 10.535) 11.148 14.615 ( -21.100 0.000 -9.796) 23.263 14.724 ( 26.356 0.000 17.465) 31.617 14.900 ( -3.325 0.000 0.919) 3.450 15.252 ( -0.701 0.000 -5.843) 5.885 15.438 ( 2.775 0.000 4.578) 5.353 15.969 ( -3.192 0.000 -6.560) 7.296 16.278 ( 10.193 0.000 3.638) 10.823 16.379 ( 2.540 0.000 6.334) 6.824 16.433 ( -7.526 0.000 0.135) 7.527 16.630 ( 0.765 0.000 2.064) 2.201 16.880 ( -0.083 0.000 -2.693) 2.695 17.144 ( -7.307 0.000 6.027) 9.472 17.552 ( -1.019 0.000 -1.615) 1.910 24.473 ( -4.733 0.000 2.541) 5.372 24.827 ( -3.529 0.000 -1.025) 3.675 24.984 ( 0.627 0.000 5.144) 5.182 25.180 ( -7.739 0.000 0.639) 7.765 25.733 ( 0.119 0.000 3.805) 3.807 25.749 ( -0.945 0.000 -2.155) 2.353 25.925 ( -2.376 0.000 4.030) 4.678 26.719 ( -5.169 0.000 -15.063) 15.925 27.287 ( 2.814 0.000 7.397) 7.914 27.480 ( 28.248 0.000 14.310) 31.666 27.676 ( -4.064 0.000 5.690) 6.993 28.250 ( -0.276 0.000 -7.808) 7.813 29.511 ( -1.087 0.000 0.920) 1.424 29.795 ( -2.482 0.000 -2.010) 3.194 30.594 ( -4.057 0.000 -5.526) 6.856 30.680 ( 1.000 0.000 -2.069) 2.298 ======================= Grid point 97 (47/104) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -6.687 12.783 21.526) 25.913 1.285 ( 1.102 12.651 23.673) 26.864 2.179 ( -7.425 18.488 19.972) 28.210 2.285 ( 2.158 4.451 -2.448) 5.519 2.477 ( 1.450 -0.647 11.266) 11.377 2.742 ( -0.781 7.500 0.127) 7.541 2.856 ( -5.252 1.065 2.695) 5.999 2.919 ( -3.864 7.921 8.007) 11.907 2.998 ( 3.121 -2.238 -3.698) 5.332 3.090 ( -2.892 2.413 6.559) 7.563 3.172 ( -0.387 2.038 5.389) 5.775 3.217 ( 0.182 1.176 8.373) 8.457 3.307 ( 2.746 2.325 5.376) 6.469 3.467 ( -1.873 -0.563 1.150) 2.269 3.539 ( -1.265 5.137 2.912) 6.039 3.611 ( 2.942 0.024 5.139) 5.921 3.928 ( -1.402 -4.003 -2.604) 4.976 4.153 ( 5.136 9.425 -7.877) 13.314 4.189 ( 2.010 6.676 0.698) 7.007 4.311 ( -0.531 9.708 8.367) 12.827 4.610 ( -2.994 -8.588 -6.133) 10.969 4.834 ( 1.644 -0.085 5.601) 5.837 5.115 ( 6.806 -1.278 -4.038) 8.017 5.378 ( -3.238 -10.868 1.938) 11.504 5.644 ( 8.664 -6.511 -4.603) 11.775 5.788 ( -5.431 1.190 -2.947) 6.292 5.971 ( 0.129 -6.443 -0.449) 6.460 6.107 ( 5.805 -0.974 -2.781) 6.510 6.165 ( -7.177 -0.175 6.397) 9.616 6.397 ( -5.385 -2.098 -2.144) 6.164 6.573 ( -5.295 3.781 -1.902) 6.779 6.623 ( 1.517 5.196 1.902) 5.737 6.740 ( 0.641 0.769 -3.933) 4.059 7.138 ( -3.102 3.698 -13.058) 13.922 7.394 ( 7.642 2.708 -2.863) 8.598 7.402 ( -6.290 -7.710 0.212) 9.953 7.754 ( 4.184 4.406 3.090) 6.816 7.877 ( -3.774 1.187 -3.208) 5.094 8.022 ( 6.739 6.185 6.289) 11.100 8.251 ( -5.279 1.263 -1.809) 5.722 8.457 ( 3.134 -1.108 4.604) 5.679 8.512 ( 1.298 -2.449 -2.780) 3.925 8.753 ( -2.634 0.484 1.899) 3.283 8.942 ( 4.643 -6.648 4.644) 9.344 9.064 ( -0.984 -0.317 -2.615) 2.812 9.248 ( 0.438 6.284 -13.201) 14.627 9.372 ( 3.115 7.737 -4.039) 9.267 9.824 ( -11.686 -3.891 -1.743) 12.440 10.279 ( -3.188 -2.084 8.474) 9.290 10.529 ( -0.840 5.037 4.314) 6.685 10.911 ( 3.469 -6.782 0.077) 7.618 11.094 ( 4.295 1.616 -2.078) 5.037 11.206 ( -2.313 1.098 -4.048) 4.790 11.257 ( -2.823 -2.531 -3.159) 4.935 11.464 ( 0.398 -12.271 6.906) 14.087 12.054 ( 5.464 2.811 -0.594) 6.174 12.251 ( -0.611 2.307 5.279) 5.793 12.561 ( -3.549 4.383 -2.477) 6.160 12.765 ( 3.100 -1.162 -2.162) 3.954 12.920 ( -1.451 -7.016 -10.574) 12.773 13.026 ( 8.147 -1.580 -7.733) 11.343 13.490 ( 2.591 -10.448 -4.894) 11.825 13.566 ( -7.964 7.213 -13.471) 17.231 13.806 ( -0.308 4.701 4.046) 6.210 14.031 ( -6.324 1.967 0.854) 6.677 14.110 ( -9.427 -5.593 3.081) 11.386 14.293 ( -1.177 -2.642 2.223) 3.648 14.629 ( 5.926 -1.994 9.796) 11.621 14.798 ( -7.560 -0.576 -6.330) 9.877 14.929 ( 12.620 -10.590 6.523) 17.719 15.247 ( -0.182 -5.417 -1.035) 5.518 15.628 ( -6.680 4.685 -4.153) 9.155 15.921 ( 13.615 -0.225 9.497) 16.602 16.344 ( 1.702 3.540 1.813) 4.326 16.486 ( 5.798 -1.539 3.004) 6.708 16.668 ( -0.365 9.694 -0.103) 9.702 16.727 ( 3.617 6.919 -3.164) 8.424 16.851 ( -1.619 -1.184 -1.990) 2.825 17.093 ( -3.177 4.018 2.691) 5.786 17.458 ( -2.105 -4.509 -3.111) 5.869 24.461 ( 0.239 1.841 2.265) 2.929 24.676 ( -6.913 -0.918 -1.754) 7.191 24.999 ( -1.734 0.311 4.907) 5.213 25.117 ( -0.500 -0.684 10.834) 10.867 25.688 ( -2.276 -1.565 -1.015) 2.942 25.739 ( -1.282 0.419 1.951) 2.372 25.902 ( -0.921 -2.755 4.571) 5.416 26.214 ( -8.414 -10.469 2.281) 13.624 27.357 ( -0.817 -1.627 8.390) 8.585 27.572 ( 2.984 -2.858 4.081) 5.807 27.849 ( 11.315 -19.624 3.869) 22.981 28.172 ( 4.461 -3.461 -7.638) 9.499 29.621 ( -3.369 0.902 -2.897) 4.534 29.934 ( 6.089 3.300 -10.237) 12.360 30.667 ( -1.718 23.491 -6.423) 24.413 30.888 ( 0.972 13.828 -4.271) 14.505 ======================= Grid point 98 (48/104) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 2.979 2.708 26.044) 26.353 1.532 ( 11.525 13.892 19.180) 26.338 2.123 ( -9.884 16.132 18.146) 26.215 2.285 ( 1.257 1.331 -6.770) 7.014 2.553 ( -0.884 1.968 1.248) 2.493 2.646 ( -11.757 2.385 10.323) 15.827 2.750 ( -4.272 -2.460 7.618) 9.074 2.822 ( -6.840 9.905 -0.616) 12.053 2.999 ( -3.183 2.523 4.060) 5.743 3.062 ( -0.291 -0.607 3.742) 3.802 3.197 ( -0.610 5.175 -2.622) 5.833 3.223 ( -2.957 -2.894 0.958) 4.247 3.401 ( -1.483 -0.642 -0.636) 1.737 3.453 ( 0.675 -1.622 4.820) 5.130 3.527 ( 1.729 8.379 11.424) 14.272 3.661 ( -0.459 7.406 8.475) 11.264 3.886 ( -1.253 -7.419 0.254) 7.528 4.131 ( 1.780 10.716 -8.305) 13.674 4.281 ( 1.493 4.897 6.335) 8.145 4.465 ( -8.241 -4.747 -5.072) 10.778 4.482 ( 11.130 5.584 5.357) 13.556 4.853 ( -3.590 0.377 4.764) 5.977 5.148 ( -1.668 0.227 -4.189) 4.514 5.332 ( -1.407 -8.742 -3.331) 9.460 5.590 ( -7.269 -0.387 -0.947) 7.340 5.738 ( 0.606 -5.443 -10.767) 12.080 5.985 ( 1.379 -5.287 -0.639) 5.502 6.080 ( -3.525 -5.277 4.287) 7.658 6.263 ( 8.053 4.244 -7.377) 11.717 6.325 ( -0.354 0.169 2.447) 2.478 6.463 ( -5.911 4.571 3.751) 8.361 6.685 ( 5.508 2.445 0.332) 6.036 6.767 ( 3.115 3.208 -0.963) 4.574 7.055 ( 1.768 5.922 -11.793) 13.314 7.331 ( 0.510 -13.266 -1.013) 13.314 7.576 ( 9.676 -1.614 -0.313) 9.815 7.773 ( -0.886 4.135 3.255) 5.337 7.903 ( 3.701 1.473 3.042) 5.012 8.101 ( -7.786 4.112 -0.186) 8.807 8.149 ( 2.852 7.214 3.280) 8.422 8.386 ( -7.074 -1.710 -8.584) 11.254 8.626 ( 7.636 -0.683 5.101) 9.208 8.743 ( 0.390 -1.820 -0.023) 1.862 8.895 ( -7.385 -0.523 3.000) 7.988 9.060 ( -3.114 2.929 -16.285) 16.837 9.205 ( 4.102 0.517 2.259) 4.711 9.455 ( 4.156 4.900 -7.381) 9.786 9.608 ( -7.209 0.684 5.749) 9.246 10.287 ( -0.206 -0.682 8.520) 8.550 10.483 ( -4.766 4.951 2.782) 7.413 11.009 ( 2.416 -6.358 4.430) 8.117 11.133 ( -1.929 0.230 -2.218) 2.948 11.192 ( 1.025 -0.701 -3.399) 3.619 11.238 ( 9.182 -0.765 -5.275) 10.617 11.554 ( 5.330 -12.644 4.645) 14.486 12.169 ( 5.270 5.688 0.941) 7.810 12.197 ( -6.485 -5.465 3.075) 9.021 12.472 ( -7.512 3.576 0.355) 8.327 12.754 ( -4.314 -4.944 -6.211) 9.034 12.818 ( -1.083 -5.069 -5.638) 7.658 13.092 ( 2.522 -0.949 -9.184) 9.571 13.333 ( -6.650 7.524 -15.051) 18.094 13.522 ( 3.117 -5.886 5.377) 8.560 13.800 ( -1.435 0.532 0.154) 1.538 13.903 ( -7.587 1.490 6.641) 10.192 14.063 ( 1.411 -2.667 4.292) 5.246 14.383 ( 6.097 0.450 3.348) 6.970 14.604 ( -7.876 -1.504 -4.693) 9.291 14.829 ( 9.454 -2.767 6.877) 12.014 15.093 ( 3.249 -3.140 -3.699) 5.839 15.280 ( 1.166 -13.056 2.592) 13.362 15.476 ( -3.685 0.792 -2.693) 4.633 16.024 ( -5.311 8.985 -0.637) 10.457 16.448 ( 6.278 2.572 -1.079) 6.870 16.546 ( 0.760 -2.919 -1.900) 3.564 16.660 ( -1.359 4.346 4.562) 6.446 16.801 ( -0.993 -0.337 -0.563) 1.190 16.842 ( 6.774 5.237 -1.927) 8.776 17.081 ( 1.060 5.378 2.775) 6.144 17.423 ( 0.180 -3.421 -3.135) 4.643 24.517 ( 4.193 1.653 2.835) 5.324 24.617 ( 0.712 0.163 0.678) 0.997 24.968 ( -4.135 0.837 4.678) 6.300 25.189 ( 1.790 -0.384 12.305) 12.441 25.634 ( -3.045 -1.277 -0.046) 3.302 25.718 ( -1.509 1.829 1.308) 2.708 25.911 ( -1.244 -5.090 5.632) 7.692 26.100 ( -4.507 -1.521 2.212) 5.245 27.326 ( -5.632 -1.988 5.879) 8.381 27.623 ( 1.439 0.587 4.971) 5.208 28.007 ( 3.512 -19.223 -2.351) 19.682 28.243 ( 6.483 -14.316 -10.818) 19.079 29.534 ( -3.783 1.390 -0.701) 4.091 29.989 ( 4.849 -0.264 -10.964) 11.992 30.580 ( -4.095 21.716 -0.545) 22.105 30.919 ( 3.741 15.592 -5.495) 16.949 ======================= Grid point 99 (49/104) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 4.840 -2.886 27.974) 28.536 1.816 ( 6.302 4.964 11.992) 14.428 1.988 ( -9.514 11.401 9.931) 17.864 2.288 ( -0.303 8.111 3.541) 8.856 2.406 ( -6.604 -0.578 -2.743) 7.175 2.468 ( -10.067 0.815 -0.544) 10.115 2.708 ( -1.883 10.174 -0.523) 10.360 2.846 ( 0.906 3.009 18.505) 18.770 2.945 ( -4.239 -2.420 0.889) 4.961 3.046 ( -7.409 11.401 4.170) 14.222 3.118 ( -0.057 -4.015 -1.286) 4.216 3.184 ( -0.690 0.267 -3.886) 3.956 3.353 ( -3.747 3.684 -0.963) 5.343 3.424 ( -0.001 0.918 -1.344) 1.628 3.590 ( -2.591 1.549 4.504) 5.423 3.776 ( 3.939 7.732 15.290) 17.581 3.918 ( 4.067 -6.164 4.464) 8.630 4.149 ( 1.447 11.150 -4.081) 11.961 4.193 ( -13.097 3.557 2.182) 13.745 4.374 ( 0.470 4.308 0.295) 4.344 4.641 ( 4.071 1.509 -3.352) 5.485 4.769 ( -5.922 -1.374 5.736) 8.358 5.040 ( -5.752 -0.105 -5.796) 8.166 5.289 ( -0.192 -5.021 -4.685) 6.870 5.532 ( -0.351 -0.939 2.508) 2.701 5.679 ( 0.350 -6.699 -10.107) 12.131 5.999 ( -0.100 -5.606 0.453) 5.625 6.035 ( -2.726 -5.603 2.319) 6.648 6.285 ( 0.235 4.671 -0.624) 4.718 6.401 ( 0.412 1.595 4.654) 4.937 6.424 ( 1.904 4.721 5.331) 7.371 6.806 ( 3.056 2.183 0.580) 3.801 6.832 ( 5.857 0.856 -2.099) 6.281 7.111 ( 9.640 8.732 -7.219) 14.876 7.425 ( 9.139 -14.403 -1.671) 17.139 7.672 ( 1.965 -2.073 -1.551) 3.250 7.744 ( -5.682 0.145 -0.599) 5.716 7.918 ( -2.309 1.857 2.428) 3.831 8.093 ( 2.510 4.427 2.770) 5.794 8.187 ( -8.933 -0.773 -7.362) 11.601 8.229 ( 7.346 5.916 4.353) 10.388 8.683 ( -1.085 -1.160 -0.456) 1.652 8.736 ( -3.436 -3.530 -1.067) 5.040 8.820 ( -2.753 -0.313 3.199) 4.232 8.904 ( -2.797 4.836 -12.453) 13.649 9.319 ( 5.718 0.648 2.970) 6.476 9.448 ( 1.647 4.589 -4.543) 6.664 9.613 ( 0.539 0.416 4.684) 4.733 10.311 ( -3.392 -0.237 5.916) 6.824 10.458 ( 3.391 3.312 1.925) 5.116 10.981 ( -8.893 -3.172 5.322) 10.839 11.067 ( -0.289 -0.350 0.785) 0.907 11.263 ( 6.400 1.917 -4.209) 7.896 11.423 ( 9.812 -6.352 -1.279) 11.759 11.673 ( 4.502 -9.476 -1.437) 10.589 12.073 ( -6.454 -3.142 2.446) 7.584 12.207 ( -5.385 2.812 1.552) 6.270 12.331 ( -0.685 -2.720 -4.499) 5.302 12.614 ( -4.954 -7.818 -6.055) 11.060 12.799 ( -0.473 0.328 -0.069) 0.579 13.072 ( -0.641 6.125 -6.477) 8.938 13.185 ( -1.562 5.206 -12.815) 13.920 13.637 ( 3.074 -3.867 3.352) 5.970 13.793 ( 0.879 -3.348 2.484) 4.261 13.854 ( 0.919 0.034 5.584) 5.659 14.152 ( 3.569 -1.278 8.543) 9.346 14.401 ( -5.515 -3.912 -3.137) 7.454 14.546 ( 3.456 2.104 2.397) 4.703 15.014 ( 4.690 -5.510 -0.196) 7.238 15.077 ( -0.417 -8.497 -6.081) 10.457 15.229 ( -1.058 -3.284 -2.442) 4.227 15.472 ( -3.386 -1.518 5.416) 6.565 15.935 ( 1.114 11.666 -4.833) 12.677 16.426 ( -4.955 -1.577 -3.562) 6.303 16.516 ( -4.942 3.659 -0.912) 6.216 16.643 ( -1.466 2.498 2.363) 3.738 16.760 ( -1.506 0.940 -3.845) 4.235 16.983 ( 7.009 4.230 -0.919) 8.238 17.151 ( 3.466 3.897 4.045) 6.600 17.436 ( 2.182 -2.024 -0.425) 3.007 24.629 ( 5.509 0.772 3.426) 6.533 24.678 ( 4.347 0.439 1.974) 4.794 24.894 ( -5.940 1.336 4.417) 7.522 25.291 ( 2.938 -1.473 9.246) 9.813 25.588 ( -2.153 -1.755 3.091) 4.156 25.705 ( -0.751 2.270 2.659) 3.576 25.910 ( -1.614 -5.651 5.556) 8.088 26.055 ( -2.211 0.509 2.169) 3.139 27.243 ( -5.017 -1.035 3.719) 6.330 27.673 ( 0.791 0.661 5.898) 5.987 27.987 ( -2.382 -10.516 -8.675) 13.838 28.255 ( 0.971 -17.153 -11.040) 20.421 29.499 ( -0.249 -0.044 1.968) 1.984 30.000 ( 2.077 -1.660 -10.500) 10.832 30.533 ( -1.625 16.664 2.819) 16.979 30.956 ( 3.475 16.105 -6.514) 17.717 ======================= Grid point 100 (50/104) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -9.519 0.233 26.331) 27.999 1.692 ( -16.475 0.858 11.752) 20.255 2.030 ( 3.854 -1.049 6.454) 7.590 2.264 ( -2.072 5.329 1.217) 5.845 2.355 ( 1.151 1.760 -1.116) 2.381 2.479 ( 10.361 7.494 3.984) 13.394 2.692 ( -0.741 15.474 -1.106) 15.531 2.828 ( -6.012 -0.151 -0.759) 6.062 2.889 ( -4.986 2.843 15.926) 16.929 2.981 ( -2.962 16.488 4.903) 17.455 3.118 ( 0.115 2.174 -0.637) 2.269 3.175 ( 1.556 -2.586 -1.818) 3.524 3.314 ( -0.229 6.365 0.749) 6.412 3.420 ( 0.238 -0.377 -2.533) 2.572 3.549 ( -3.065 -0.732 3.747) 4.896 3.822 ( -12.101 9.149 1.433) 15.238 3.937 ( -1.889 0.876 11.406) 11.594 4.002 ( 0.143 4.785 4.597) 6.636 4.246 ( 4.932 10.779 -0.977) 11.894 4.362 ( 0.577 -4.171 -3.639) 5.565 4.593 ( -5.225 -2.276 -3.188) 6.531 4.764 ( 1.455 -1.362 3.424) 3.962 4.927 ( -2.656 0.325 -5.341) 5.974 5.297 ( 3.376 -1.527 -4.494) 5.824 5.531 ( -2.016 -4.895 3.154) 6.162 5.691 ( 4.299 -5.609 -2.484) 7.491 5.988 ( -1.259 -6.094 1.971) 6.527 6.021 ( -0.272 -5.837 2.079) 6.202 6.302 ( 1.873 3.676 0.997) 4.244 6.418 ( -0.371 1.790 6.844) 7.084 6.511 ( 2.853 2.756 3.504) 5.292 6.813 ( -1.976 2.456 0.603) 3.209 6.907 ( 3.071 0.357 -3.084) 4.367 7.286 ( 9.776 8.853 -2.226) 13.376 7.570 ( 1.289 -8.055 -2.431) 8.512 7.626 ( -0.089 -1.562 -2.808) 3.215 7.667 ( -2.341 -2.046 -4.075) 5.125 7.800 ( -9.361 -3.353 -3.898) 10.680 8.053 ( -0.413 4.667 2.388) 5.258 8.154 ( 3.230 1.497 -0.215) 3.566 8.432 ( 8.347 1.585 3.538) 9.204 8.596 ( -6.253 -3.334 -10.568) 12.724 8.676 ( -3.077 -0.216 4.937) 5.822 8.789 ( 0.565 -0.964 2.940) 3.146 8.876 ( 3.251 3.389 -2.720) 5.427 9.391 ( -0.292 2.194 2.256) 3.160 9.472 ( 3.332 3.785 -9.918) 11.127 9.658 ( 2.483 0.482 6.401) 6.882 10.256 ( -3.158 1.150 2.543) 4.215 10.591 ( 7.723 -2.516 3.312) 8.772 10.815 ( -10.517 0.111 5.505) 11.871 11.086 ( 0.419 0.625 2.349) 2.466 11.370 ( 6.192 1.013 -3.107) 7.001 11.525 ( 0.094 -8.237 -1.550) 8.382 11.627 ( -5.172 -6.072 -3.834) 8.850 11.946 ( -8.031 2.524 2.789) 8.868 12.211 ( 6.056 -5.451 1.022) 8.212 12.370 ( 6.287 -4.753 -5.911) 9.852 12.557 ( 1.690 -6.988 -2.867) 7.740 12.808 ( 1.759 3.415 0.416) 3.864 13.015 ( -1.460 9.058 -6.043) 10.987 13.117 ( 0.032 4.735 -11.767) 12.684 13.646 ( -0.108 -0.926 -0.986) 1.357 13.867 ( 4.564 -3.376 7.301) 9.249 13.972 ( 4.468 -4.307 6.912) 9.289 14.224 ( -0.395 -2.446 3.535) 4.316 14.321 ( -0.704 -2.698 3.200) 4.244 14.592 ( -0.947 2.135 0.904) 2.504 14.887 ( -7.194 -11.637 -10.102) 17.007 15.164 ( 5.614 -4.710 -1.340) 7.449 15.223 ( -0.974 -3.297 -2.600) 4.311 15.388 ( -4.979 2.461 3.154) 6.387 16.020 ( 7.434 9.182 -1.483) 11.907 16.283 ( -6.548 1.371 -6.713) 9.477 16.408 ( -7.038 1.158 4.548) 8.459 16.592 ( -3.342 2.912 -1.021) 4.549 16.747 ( 1.510 3.967 -3.167) 5.296 17.042 ( 1.063 5.900 -5.753) 8.309 17.217 ( 0.462 0.595 6.336) 6.381 17.491 ( 2.914 -1.316 1.248) 3.432 24.693 ( -2.835 0.326 3.023) 4.157 24.780 ( 4.240 1.211 3.428) 5.585 24.835 ( -0.077 0.624 5.033) 5.072 25.350 ( 0.233 -3.212 -1.773) 3.676 25.608 ( 1.358 -3.261 8.846) 9.525 25.718 ( 0.127 0.562 4.543) 4.579 25.926 ( 0.402 -5.617 9.051) 10.660 26.025 ( -2.117 -0.135 2.487) 3.269 27.196 ( -1.683 0.194 3.491) 3.880 27.694 ( -2.135 -0.420 3.424) 4.057 27.842 ( -6.433 -5.156 -11.917) 14.491 28.207 ( -0.474 -13.000 -7.675) 15.104 29.532 ( 2.167 -0.290 2.376) 3.228 29.971 ( 0.368 -0.855 -9.534) 9.580 30.541 ( 0.908 12.840 2.898) 13.195 30.983 ( 3.025 15.650 -7.405) 17.576 ======================= Grid point 101 (51/104) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -18.729 0.717 16.722) 25.118 1.505 ( -14.760 7.399 23.485) 28.707 2.123 ( 2.495 2.984 6.037) 7.182 2.303 ( 5.602 -5.106 0.136) 7.581 2.439 ( -1.557 13.090 5.933) 14.456 2.571 ( 0.870 10.887 -2.186) 11.139 2.729 ( 5.881 10.530 3.343) 12.516 2.793 ( 1.667 6.486 3.481) 7.547 2.906 ( -3.859 13.035 15.123) 20.334 2.938 ( 2.593 1.335 3.891) 4.863 3.165 ( 0.685 7.485 6.085) 9.670 3.195 ( 2.931 -0.183 -2.464) 3.833 3.316 ( -1.188 4.990 1.585) 5.368 3.400 ( -0.378 -3.080 -4.077) 5.123 3.523 ( -2.703 2.202 4.588) 5.762 3.619 ( -6.888 3.550 4.893) 9.164 3.949 ( -1.984 4.364 -3.256) 5.795 4.055 ( 1.528 0.560 10.849) 10.970 4.272 ( 0.184 10.850 -0.194) 10.853 4.410 ( 3.550 -3.571 -5.288) 7.301 4.477 ( -2.901 -2.531 -3.479) 5.189 4.809 ( 0.804 0.645 3.580) 3.725 4.902 ( 2.926 -2.579 -5.410) 6.670 5.363 ( 5.661 -1.259 -3.583) 6.817 5.493 ( -3.935 -7.864 4.860) 10.047 5.792 ( 5.949 -5.034 0.850) 7.839 5.969 ( -2.108 -7.432 3.114) 8.329 6.037 ( 0.436 -4.241 2.150) 4.775 6.350 ( 0.264 2.661 3.874) 4.707 6.458 ( 2.825 -0.539 2.714) 3.954 6.541 ( -0.529 2.797 0.358) 2.869 6.752 ( -4.513 3.156 0.708) 5.552 6.898 ( -2.917 -0.250 -2.963) 4.166 7.366 ( -3.466 5.440 -5.782) 8.663 7.485 ( -2.404 -0.774 -3.484) 4.303 7.552 ( -1.090 3.009 -0.594) 3.254 7.640 ( -2.973 0.982 -6.350) 7.080 7.719 ( 2.585 -8.062 -1.596) 8.616 8.125 ( 4.535 3.591 6.165) 8.454 8.249 ( 6.649 -1.732 0.557) 6.894 8.393 ( -10.477 -5.087 -7.582) 13.897 8.528 ( 1.301 1.803 -3.633) 4.259 8.622 ( -2.061 -2.769 4.538) 5.702 8.890 ( 4.592 2.083 6.495) 8.222 8.958 ( 4.904 2.019 -0.052) 5.304 9.355 ( -3.173 3.677 -1.114) 4.983 9.453 ( 1.390 4.693 -13.174) 14.053 9.773 ( 6.002 -1.114 6.376) 8.827 10.244 ( 0.562 -0.853 3.325) 3.479 10.618 ( -8.270 -0.447 3.677) 9.061 10.793 ( 6.608 -2.740 4.905) 8.673 11.086 ( -1.436 1.004 0.743) 1.903 11.372 ( -6.900 -3.898 -4.734) 9.231 11.426 ( -2.305 -0.540 -3.003) 3.824 11.570 ( -3.027 -10.216 1.207) 10.723 11.900 ( 2.216 2.798 2.280) 4.235 12.269 ( -0.895 -3.272 -0.200) 3.399 12.511 ( 10.731 -2.200 -6.366) 12.670 12.641 ( 7.676 -10.281 -4.021) 13.446 12.837 ( -0.694 8.171 -4.727) 9.465 12.964 ( 1.446 4.828 -4.621) 6.837 13.134 ( 8.543 4.919 -7.584) 12.437 13.670 ( 2.229 2.569 2.753) 4.376 13.968 ( -2.177 -1.126 -5.912) 6.400 14.051 ( 7.324 -7.512 13.309) 16.947 14.216 ( -1.812 -3.842 2.762) 5.067 14.386 ( 1.176 -4.344 6.119) 7.596 14.528 ( -2.367 2.432 0.209) 3.400 14.707 ( -8.044 -11.848 -5.151) 15.219 15.119 ( -4.715 -1.247 -7.111) 8.623 15.228 ( -2.438 -2.328 1.053) 3.532 15.396 ( 5.309 2.724 2.599) 6.509 16.084 ( -4.896 0.994 -3.318) 5.998 16.202 ( 5.545 7.034 -3.573) 9.643 16.310 ( -5.695 1.422 6.686) 8.897 16.561 ( 0.491 0.402 1.459) 1.591 16.763 ( 1.822 8.102 -3.883) 9.167 16.989 ( -2.876 6.387 -6.518) 9.568 17.219 ( -3.609 -0.275 6.093) 7.087 17.533 ( 0.747 -1.935 0.050) 2.075 24.592 ( -7.228 1.254 2.625) 7.792 24.844 ( 1.083 1.308 3.319) 3.728 24.916 ( 3.299 -0.490 5.617) 6.533 25.277 ( -5.586 -4.903 -5.779) 9.415 25.683 ( 1.919 -1.980 5.313) 5.986 25.737 ( -0.211 -2.074 1.709) 2.696 25.959 ( -3.152 -1.267 4.475) 5.619 26.106 ( 8.532 -14.472 15.710) 23.001 27.213 ( 0.961 0.434 4.735) 4.851 27.541 ( -9.375 0.823 -10.017) 13.744 27.753 ( -2.222 0.280 3.926) 4.520 28.169 ( 0.119 -8.951 -6.182) 10.879 29.593 ( 3.344 1.274 0.759) 3.658 29.928 ( 0.032 0.848 -8.782) 8.823 30.590 ( 3.166 12.365 0.999) 12.803 30.988 ( 1.483 15.277 -8.793) 17.689 ======================= Grid point 102 (52/104) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -9.963 8.494 21.054) 24.793 1.339 ( -14.543 12.018 20.970) 28.208 2.196 ( 1.846 3.440 4.320) 5.822 2.289 ( -11.083 24.108 16.665) 31.333 2.406 ( 3.082 -3.778 4.910) 6.920 2.695 ( 5.804 10.151 -1.574) 11.798 2.825 ( 5.355 2.915 1.815) 6.362 2.905 ( 5.780 2.534 3.488) 7.211 2.917 ( -0.247 6.860 7.686) 10.305 3.066 ( 3.189 0.198 9.910) 10.412 3.143 ( -3.447 6.624 5.302) 9.158 3.260 ( -2.666 5.116 5.885) 8.241 3.274 ( -0.536 1.412 -0.127) 1.516 3.426 ( 4.308 -0.463 3.863) 5.805 3.496 ( -0.112 2.535 0.787) 2.657 3.589 ( -0.922 -1.647 2.745) 3.331 3.918 ( 1.635 2.701 -3.201) 4.496 4.097 ( -0.518 -2.875 3.635) 4.663 4.248 ( -1.826 12.769 -5.671) 14.090 4.345 ( -4.835 9.986 3.301) 11.576 4.568 ( 8.968 -8.075 -4.510) 12.884 4.816 ( -1.966 0.889 4.815) 5.276 4.982 ( 8.269 -4.385 -5.375) 10.793 5.426 ( -2.825 -10.415 3.890) 11.471 5.486 ( 6.801 -2.329 -1.865) 7.427 5.860 ( 0.024 -2.437 -1.893) 3.086 5.961 ( -0.018 -8.826 3.918) 9.656 6.052 ( 0.766 -2.534 1.025) 2.839 6.300 ( -8.210 3.032 6.760) 11.058 6.485 ( -2.114 -2.012 -2.674) 3.959 6.576 ( 4.409 2.216 1.003) 5.035 6.662 ( -4.305 3.862 -2.181) 6.181 6.794 ( -4.810 -0.505 -3.217) 5.809 7.241 ( -3.357 3.524 -6.912) 8.454 7.397 ( -2.969 1.048 -9.301) 9.819 7.516 ( -4.635 0.982 -3.928) 6.155 7.643 ( 4.949 2.778 2.064) 6.039 7.811 ( 6.741 0.573 4.458) 8.102 8.117 ( -12.447 -1.451 -7.139) 14.422 8.247 ( 3.944 -1.200 5.719) 7.050 8.398 ( 5.505 -1.164 3.367) 6.557 8.480 ( -1.446 0.408 -3.680) 3.974 8.693 ( 5.861 -4.523 4.256) 8.539 8.925 ( -3.466 -0.095 2.799) 4.456 9.049 ( 4.387 1.485 0.079) 4.632 9.285 ( -2.271 5.850 -4.023) 7.454 9.406 ( 0.402 6.328 -12.546) 14.057 9.903 ( 3.377 -5.001 2.156) 6.408 10.287 ( -0.013 -3.844 5.741) 6.909 10.514 ( -2.996 4.387 3.923) 6.604 10.896 ( 1.052 -5.525 1.240) 5.759 11.060 ( -0.069 -0.056 -0.777) 0.782 11.259 ( -1.381 -1.314 -5.030) 5.379 11.340 ( -5.767 -0.421 0.274) 5.788 11.499 ( -5.539 -11.939 3.467) 13.610 11.980 ( 4.589 2.236 -2.775) 5.810 12.230 ( -1.193 2.975 1.240) 3.437 12.634 ( 2.027 5.352 -7.618) 9.528 12.699 ( 2.208 -4.716 -1.589) 5.444 12.845 ( 8.533 -1.825 -6.132) 10.665 13.001 ( 2.770 0.093 -8.275) 8.727 13.333 ( 13.460 -1.743 -2.731) 13.845 13.718 ( -0.083 4.118 -1.313) 4.324 13.837 ( -5.211 2.824 -7.433) 9.507 14.130 ( -4.270 0.486 -0.622) 4.343 14.272 ( -6.461 -4.515 -0.392) 7.892 14.381 ( 7.529 -12.096 11.544) 18.337 14.469 ( -6.559 -11.292 0.293) 13.062 14.687 ( 6.070 -3.995 9.367) 11.855 14.975 ( -7.161 3.308 -5.759) 9.767 15.219 ( 2.941 -0.723 0.885) 3.155 15.533 ( 7.506 7.115 6.503) 12.216 15.910 ( -9.272 -3.343 -4.491) 10.831 16.290 ( 0.661 2.288 8.092) 8.435 16.344 ( 7.757 2.687 0.414) 8.220 16.611 ( 3.165 1.028 2.350) 4.074 16.760 ( -0.002 14.082 -6.825) 15.648 16.900 ( -3.156 2.133 -3.181) 4.963 17.157 ( -5.187 1.060 4.384) 6.873 17.515 ( -2.038 -3.563 -1.736) 4.457 24.490 ( -4.468 1.600 2.264) 5.258 24.825 ( -5.020 -0.449 -1.348) 5.217 24.983 ( 0.837 -0.164 5.225) 5.295 25.135 ( -6.166 -3.781 2.411) 7.624 25.720 ( -0.557 -1.858 0.706) 2.064 25.735 ( 0.105 -0.991 2.344) 2.547 25.917 ( -2.766 -0.995 3.243) 4.377 26.300 ( 0.694 -24.903 7.723) 26.083 27.278 ( 3.484 -1.464 8.004) 8.852 27.439 ( 3.390 3.229 1.710) 4.984 27.739 ( -1.168 -1.404 5.191) 5.503 28.153 ( 1.524 -5.201 -6.177) 8.218 29.648 ( 1.993 1.473 -1.821) 3.075 29.899 ( 2.186 3.361 -8.967) 9.823 30.658 ( 4.153 16.550 -3.165) 17.354 30.942 ( -1.735 15.173 -8.477) 17.467 ======================= Grid point 103 (53/104) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -12.550 19.182 13.736) 26.723 1.630 ( 6.301 18.091 13.843) 23.635 2.286 ( 4.064 0.758 -1.261) 4.322 2.374 ( -3.869 -1.850 8.194) 9.248 2.734 ( -3.475 11.501 -2.466) 12.265 2.792 ( 0.252 -3.630 -2.401) 4.360 2.829 ( -2.537 -2.899 0.068) 3.853 3.015 ( -2.425 4.581 0.370) 5.196 3.101 ( -4.865 3.702 11.318) 12.864 3.146 ( -0.298 8.104 2.685) 8.543 3.198 ( -1.062 4.161 3.174) 5.340 3.246 ( -3.839 2.966 0.856) 4.926 3.398 ( -4.530 3.473 0.481) 5.729 3.470 ( -1.133 -0.879 4.455) 4.680 3.651 ( 4.138 5.542 2.671) 7.414 3.740 ( 6.827 10.008 9.161) 15.188 3.907 ( -3.846 4.131 -2.434) 6.147 4.193 ( 5.289 -3.367 -2.616) 6.794 4.323 ( -3.789 5.165 2.601) 6.914 4.525 ( 1.761 1.870 2.468) 3.562 4.609 ( -4.707 10.717 1.578) 11.811 4.855 ( 2.600 5.886 2.538) 6.917 5.032 ( 9.189 -6.047 0.926) 11.039 5.121 ( -0.203 -12.628 6.249) 14.091 5.494 ( 1.553 -9.269 3.506) 10.031 5.738 ( -0.901 -4.166 0.469) 4.288 5.900 ( 2.158 0.806 -6.518) 6.913 6.005 ( -1.535 -7.830 -1.755) 8.170 6.203 ( -3.465 3.428 3.577) 6.046 6.365 ( -4.518 -0.412 0.058) 4.537 6.693 ( -2.920 6.227 0.265) 6.883 6.730 ( 2.993 -0.823 -1.174) 3.319 6.789 ( 2.033 7.947 0.880) 8.250 7.222 ( -3.228 -0.042 -12.557) 12.966 7.259 ( -7.580 -2.411 -0.890) 8.004 7.415 ( 4.198 -0.207 -5.145) 6.643 7.813 ( 5.622 1.855 1.632) 6.141 7.887 ( -3.239 -0.176 1.393) 3.530 8.186 ( 9.524 7.335 6.358) 13.599 8.315 ( -3.926 4.692 -2.512) 6.614 8.405 ( 2.783 -3.852 3.702) 6.024 8.453 ( 1.781 -1.355 -0.596) 2.316 8.736 ( -0.739 -2.176 -1.809) 2.925 8.829 ( 2.851 -4.608 2.214) 5.854 9.080 ( -1.665 2.242 -0.095) 2.794 9.350 ( -0.243 1.918 -5.937) 6.244 9.518 ( 1.329 5.583 -8.677) 10.403 9.722 ( -5.819 -4.726 -1.517) 7.648 10.267 ( -1.253 1.356 9.980) 10.150 10.634 ( 3.273 2.954 2.745) 5.193 10.734 ( -3.689 -7.526 2.806) 8.839 11.058 ( 1.000 -5.958 4.572) 7.576 11.193 ( -0.996 -1.778 -4.331) 4.787 11.219 ( -1.432 -0.210 -4.129) 4.376 11.421 ( 3.727 7.440 -4.290) 9.362 12.061 ( 0.794 -0.308 -4.247) 4.332 12.280 ( -0.389 -0.296 2.845) 2.887 12.498 ( 0.408 -7.349 -6.965) 10.133 12.705 ( 2.927 -6.493 -4.061) 8.198 12.877 ( -3.474 -7.010 -7.003) 10.500 12.983 ( 1.854 7.081 -2.539) 7.747 13.343 ( -4.137 -3.003 -4.250) 6.648 13.668 ( -1.528 0.514 -10.085) 10.213 13.881 ( -2.028 1.357 5.774) 6.269 13.951 ( -5.132 -5.690 -3.752) 8.532 14.038 ( -9.208 -3.455 8.082) 12.730 14.248 ( 6.783 1.969 2.723) 7.570 14.575 ( 8.110 -3.146 6.943) 11.130 14.714 ( 9.660 -3.591 4.963) 11.439 14.881 ( -1.559 0.163 -1.973) 2.520 15.163 ( -7.528 0.528 0.672) 7.576 15.629 ( -10.115 -4.331 -2.231) 11.227 16.043 ( 16.887 8.363 10.288) 21.470 16.363 ( 2.886 -2.957 1.778) 4.498 16.496 ( 3.312 5.786 5.927) 8.921 16.774 ( -7.021 0.928 -0.394) 7.093 16.833 ( 0.978 2.024 -5.141) 5.611 16.929 ( 2.454 7.787 -5.040) 9.594 17.159 ( -0.441 1.239 -2.317) 2.664 17.322 ( -1.696 -7.851 -2.562) 8.431 24.511 ( 0.235 2.654 1.687) 3.154 24.650 ( -5.153 -1.464 0.047) 5.357 25.011 ( -0.660 0.926 4.820) 4.952 25.100 ( 1.255 -0.924 8.702) 8.841 25.649 ( -1.844 -2.060 1.029) 2.950 25.699 ( -0.827 -4.166 5.308) 6.798 25.861 ( -1.719 0.262 2.076) 2.708 26.040 ( 0.411 -5.351 3.767) 6.557 27.302 ( -0.614 -1.720 5.493) 5.789 27.552 ( 1.179 -5.493 -0.935) 5.695 27.619 ( 0.176 0.889 3.402) 3.520 28.063 ( 1.349 -6.673 -4.923) 8.401 29.635 ( -2.136 1.268 0.061) 2.484 29.868 ( 1.769 -5.221 -2.626) 6.106 31.144 ( 2.795 16.822 -13.532) 21.769 31.168 ( 1.620 11.599 -6.264) 13.281 ======================= Grid point 104 (54/104) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -5.998 11.814 18.827) 23.021 1.844 ( 7.363 14.789 12.391) 20.651 2.240 ( -12.261 -5.097 4.442) 14.002 2.363 ( 4.501 3.617 -0.740) 5.822 2.645 ( -6.342 4.148 -4.279) 8.703 2.700 ( -8.569 1.814 3.188) 9.321 2.797 ( 0.225 1.990 2.992) 3.600 2.957 ( -5.809 1.719 2.262) 6.466 3.033 ( -5.617 6.436 5.633) 10.232 3.107 ( -4.074 1.131 -0.029) 4.228 3.175 ( 0.633 5.301 -1.914) 5.671 3.295 ( 2.036 0.092 2.249) 3.035 3.344 ( 2.597 -4.452 -0.630) 5.192 3.471 ( -1.468 2.587 0.759) 3.070 3.700 ( -0.908 3.085 0.638) 3.279 3.819 ( -1.925 7.659 6.726) 10.373 3.910 ( 3.563 12.208 8.921) 15.534 4.230 ( 1.487 -0.377 -0.685) 1.680 4.329 ( 1.166 1.306 7.037) 7.251 4.502 ( -5.228 4.591 -0.016) 6.957 4.630 ( 3.076 6.357 7.183) 10.073 4.860 ( -2.604 3.602 -1.660) 4.744 5.129 ( 0.788 -2.273 -2.431) 3.420 5.171 ( 2.852 -4.898 1.191) 5.791 5.479 ( -3.977 -10.009 3.231) 11.244 5.701 ( -2.137 1.338 -5.175) 5.757 5.893 ( 0.141 -3.025 -3.734) 4.807 5.921 ( -4.092 -8.906 1.530) 9.920 6.275 ( 3.303 -0.270 2.250) 4.006 6.358 ( 5.416 2.292 1.001) 5.966 6.607 ( -5.362 6.515 3.778) 9.244 6.813 ( 5.003 5.167 -2.030) 7.473 6.834 ( 3.800 3.958 1.030) 5.582 7.110 ( -4.607 -5.038 -1.816) 7.064 7.173 ( 3.204 4.608 -9.841) 11.329 7.520 ( 7.504 -3.542 -3.669) 9.073 7.820 ( -5.500 1.096 2.180) 6.017 7.917 ( 4.323 -0.374 3.080) 5.321 8.212 ( -4.096 6.204 -1.859) 7.663 8.285 ( -1.997 2.346 2.606) 4.036 8.389 ( -3.922 4.799 -0.538) 6.221 8.570 ( 7.589 -3.915 4.526) 9.665 8.691 ( -0.554 -3.261 -2.651) 4.239 8.876 ( -2.725 -1.995 0.464) 3.409 9.063 ( 0.915 0.329 -6.551) 6.622 9.305 ( -0.732 4.910 -2.186) 5.424 9.533 ( 4.361 1.525 -8.394) 9.582 9.601 ( -5.065 -0.514 0.085) 5.092 10.301 ( -0.658 2.264 10.722) 10.978 10.590 ( -4.848 3.666 0.635) 6.111 10.824 ( 5.056 -8.770 8.904) 13.482 11.049 ( -3.010 -6.380 3.328) 7.800 11.206 ( 3.492 1.217 -5.933) 6.991 11.257 ( 9.024 -0.542 -4.652) 10.167 11.460 ( 3.393 5.450 -6.213) 8.934 12.014 ( -4.259 -8.336 -0.225) 9.364 12.272 ( -0.442 3.108 -2.382) 3.941 12.430 ( -7.020 -6.031 -3.957) 10.065 12.611 ( -8.129 -8.228 -5.922) 12.995 12.806 ( 0.198 -1.987 -1.873) 2.737 13.056 ( 5.227 -1.177 -1.249) 5.502 13.247 ( -3.633 -4.901 -1.542) 6.292 13.607 ( 0.476 5.964 -6.727) 9.003 13.805 ( -3.815 -0.912 -3.711) 5.400 13.912 ( -5.927 -1.070 7.967) 9.987 13.976 ( 1.266 -3.827 6.996) 8.074 14.386 ( 4.843 1.111 3.557) 6.111 14.663 ( -5.783 4.571 -7.526) 10.534 14.744 ( 6.732 -4.143 5.648) 9.715 14.996 ( 0.611 -5.245 -4.331) 6.829 15.106 ( 3.909 -1.453 10.045) 10.876 15.459 ( -5.823 -3.287 -1.091) 6.775 16.258 ( -0.807 11.160 0.886) 11.225 16.466 ( 5.754 -0.143 3.620) 6.799 16.526 ( -0.095 1.658 0.626) 1.774 16.687 ( 0.116 -0.598 1.497) 1.616 16.779 ( -3.572 -0.545 -3.291) 4.887 17.004 ( 5.321 6.407 -3.524) 9.043 17.170 ( 3.494 2.395 -0.978) 4.348 17.317 ( 2.414 -5.963 -4.159) 7.661 24.556 ( 3.334 1.831 2.189) 4.389 24.619 ( 1.247 -0.017 1.250) 1.765 25.001 ( -2.778 2.391 3.941) 5.381 25.173 ( 1.609 -1.229 9.501) 9.714 25.609 ( -2.753 -1.057 1.031) 3.125 25.702 ( -1.272 -4.040 4.181) 5.952 25.846 ( -1.222 0.679 2.560) 2.917 26.051 ( -0.702 -3.162 2.038) 3.827 27.281 ( -3.745 -1.525 3.726) 5.499 27.610 ( 4.352 -14.405 1.899) 15.167 27.656 ( 1.512 2.781 3.546) 4.754 28.040 ( -0.460 -8.177 -7.831) 11.331 29.582 ( -3.240 3.097 0.737) 4.542 29.878 ( 0.642 -6.262 -2.626) 6.820 31.056 ( -2.577 18.379 -8.985) 20.620 31.217 ( 4.256 11.380 -8.257) 14.690 ======================= Grid point 105 (55/104) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 3.206 4.010 22.333) 22.915 1.910 ( -10.355 0.766 8.800) 13.611 2.071 ( -3.947 2.503 5.531) 7.241 2.416 ( -4.909 2.251 -2.586) 5.987 2.495 ( 0.748 5.531 6.522) 8.584 2.583 ( -7.005 8.023 -0.199) 10.652 2.818 ( -5.072 -7.177 1.058) 8.852 2.853 ( 0.156 -0.288 0.919) 0.976 2.960 ( 0.847 9.996 -2.356) 10.304 3.099 ( -1.109 0.644 9.590) 9.676 3.175 ( 1.468 8.500 -3.752) 9.406 3.352 ( 4.804 -2.189 -3.072) 6.108 3.408 ( 0.020 6.508 -3.094) 7.206 3.442 ( 0.579 3.077 5.428) 6.266 3.660 ( -3.219 3.330 2.368) 5.202 3.831 ( 1.410 0.504 2.729) 3.113 4.035 ( 3.731 13.763 9.876) 17.346 4.273 ( -1.111 3.580 4.262) 5.676 4.336 ( -2.592 3.587 3.546) 5.671 4.427 ( -6.399 2.549 9.095) 11.409 4.642 ( -3.904 -0.242 2.507) 4.646 4.772 ( -3.779 3.000 -4.116) 6.342 5.055 ( -4.364 0.896 -5.724) 7.253 5.227 ( 3.618 -0.660 -3.367) 4.986 5.458 ( -0.762 -6.553 5.835) 8.808 5.612 ( -2.711 1.559 -8.853) 9.389 5.864 ( -1.978 -10.078 1.146) 10.334 5.879 ( -1.813 -4.905 0.970) 5.319 6.346 ( 2.470 2.770 4.588) 5.901 6.442 ( 1.244 2.343 1.155) 2.894 6.559 ( -1.464 5.536 5.241) 7.763 6.902 ( 0.336 5.469 0.446) 5.498 6.925 ( 7.289 6.278 -2.163) 9.860 7.102 ( 5.978 -11.658 -0.652) 13.118 7.271 ( 11.233 4.030 -6.451) 13.566 7.613 ( 3.979 -4.232 -3.560) 6.813 7.706 ( -6.346 -2.860 -1.953) 7.229 7.909 ( -7.666 -2.219 0.270) 7.986 8.203 ( -3.437 3.988 -2.839) 5.981 8.216 ( 2.974 5.722 2.717) 6.998 8.366 ( 0.514 6.630 4.127) 7.827 8.646 ( -1.354 -4.191 -1.979) 4.829 8.686 ( 0.981 -1.688 2.941) 3.530 8.780 ( -5.209 -2.451 -3.074) 6.526 8.985 ( -2.435 4.015 -11.313) 12.249 9.363 ( 4.103 1.901 6.250) 7.714 9.538 ( 0.655 3.509 -4.415) 5.678 9.587 ( 2.281 -2.567 -1.905) 3.927 10.325 ( -2.857 1.884 9.483) 10.081 10.528 ( -1.888 1.819 1.956) 3.271 10.888 ( -4.125 -3.984 11.063) 12.461 11.042 ( 2.127 -2.262 -0.080) 3.106 11.282 ( 6.677 0.426 -5.452) 8.631 11.406 ( 6.973 4.331 -4.642) 9.430 11.534 ( 8.846 -2.958 -7.192) 11.778 11.945 ( -3.006 -7.554 3.277) 8.766 12.189 ( -9.312 -8.532 -11.457) 17.052 12.197 ( -7.086 -3.642 -3.241) 8.601 12.521 ( -1.057 -2.151 0.181) 2.404 12.818 ( 1.213 -0.330 1.921) 2.296 13.127 ( 0.812 -3.565 -0.679) 3.719 13.195 ( -0.039 0.553 -0.882) 1.042 13.624 ( 2.184 2.322 -1.538) 3.539 13.749 ( 0.085 -0.894 -2.729) 2.873 13.845 ( -3.683 -1.242 5.839) 7.014 14.073 ( 3.878 -5.631 7.603) 10.225 14.385 ( -5.225 3.270 0.181) 6.166 14.614 ( 2.809 3.884 -1.042) 4.905 14.883 ( 5.478 -8.997 1.193) 10.601 14.888 ( -5.601 -5.175 -8.879) 11.705 15.201 ( 0.861 0.499 2.755) 2.929 15.419 ( -1.815 -3.567 6.644) 7.756 16.203 ( -0.729 12.211 -3.149) 12.632 16.417 ( -4.062 0.855 -2.657) 4.928 16.551 ( -5.440 0.105 -0.515) 5.465 16.706 ( 0.223 -0.644 1.086) 1.282 16.765 ( 3.829 3.977 -1.813) 5.811 17.082 ( 4.477 3.661 0.276) 5.790 17.241 ( 3.548 3.586 -4.844) 6.994 17.364 ( 4.058 -4.573 -0.290) 6.121 24.644 ( 4.345 0.647 2.893) 5.260 24.683 ( 3.780 -0.128 2.933) 4.786 24.948 ( -4.443 3.817 2.590) 6.405 25.240 ( 0.643 -3.288 7.197) 7.939 25.565 ( -2.572 -0.524 2.559) 3.666 25.696 ( -1.465 -3.831 3.621) 5.471 25.843 ( -0.539 0.745 3.133) 3.265 26.038 ( -1.483 -2.079 1.111) 2.786 27.232 ( -2.652 0.566 2.984) 4.032 27.680 ( 0.467 -6.465 5.571) 8.547 27.711 ( 2.532 -6.459 1.534) 7.105 27.976 ( -0.958 -9.340 -10.490) 14.078 29.541 ( -1.451 3.472 1.887) 4.210 29.868 ( -0.129 -6.875 -2.986) 7.496 30.982 ( -1.163 19.660 -6.396) 20.707 31.242 ( 3.059 10.100 -8.395) 13.485 ======================= Grid point 106 (56/104) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -5.171 4.189 20.923) 21.956 1.709 ( -8.288 0.747 12.102) 14.687 2.058 ( -1.310 3.670 6.314) 7.419 2.336 ( -2.431 1.172 0.760) 2.804 2.446 ( -3.072 5.399 -1.110) 6.310 2.631 ( 7.281 4.595 5.920) 10.449 2.753 ( -0.242 -3.816 0.122) 3.826 2.902 ( 3.544 2.098 2.154) 4.647 3.048 ( 6.530 13.012 -2.753) 14.817 3.117 ( 0.080 1.691 5.119) 5.392 3.213 ( 2.852 6.765 0.637) 7.369 3.354 ( -1.092 2.350 -1.312) 2.904 3.429 ( 3.036 6.317 -3.720) 7.935 3.464 ( -3.600 5.832 2.445) 7.277 3.632 ( -0.574 9.032 6.092) 10.909 3.919 ( 5.200 -1.893 1.525) 5.740 4.088 ( -3.542 10.970 4.725) 12.458 4.113 ( -13.309 6.960 4.565) 15.698 4.276 ( -6.020 -0.857 0.260) 6.086 4.410 ( -0.406 3.395 10.299) 10.852 4.560 ( -2.586 -1.244 -1.772) 3.372 4.747 ( 0.779 0.724 2.301) 2.534 4.960 ( -3.024 3.536 -4.526) 6.492 5.254 ( 0.623 -5.822 -3.814) 6.988 5.446 ( -3.246 0.709 1.197) 3.531 5.586 ( 4.353 -4.084 -2.700) 6.551 5.844 ( -2.324 -6.238 2.119) 6.986 5.868 ( 1.172 -7.700 2.483) 8.175 6.382 ( 0.566 3.473 0.705) 3.589 6.449 ( -0.689 1.742 3.518) 3.985 6.606 ( 1.771 4.828 7.289) 8.920 6.856 ( -4.258 3.929 0.420) 5.809 7.012 ( 3.093 5.695 -5.420) 8.448 7.246 ( 7.038 -12.810 1.736) 14.719 7.474 ( 9.031 -1.095 -5.027) 10.394 7.600 ( -1.115 0.207 -1.983) 2.284 7.623 ( -1.639 -7.157 -4.094) 8.407 7.730 ( -7.434 3.815 -2.974) 8.869 8.128 ( -2.632 1.813 0.445) 3.227 8.250 ( -0.019 6.384 -2.044) 6.703 8.424 ( -0.793 -1.571 -0.054) 1.760 8.567 ( -1.024 -0.400 -7.091) 7.176 8.670 ( -4.677 -2.670 3.008) 6.168 8.764 ( 4.882 0.339 2.362) 5.434 8.955 ( 2.704 5.015 -1.614) 5.922 9.440 ( 0.585 0.628 4.244) 4.330 9.541 ( 1.485 2.869 -4.394) 5.454 9.629 ( 3.728 -2.866 -1.248) 4.865 10.289 ( -4.163 2.152 5.201) 7.000 10.536 ( -0.427 -3.162 7.298) 7.965 10.838 ( -4.225 2.674 5.405) 7.363 11.086 ( 1.342 -0.975 0.701) 1.800 11.361 ( 3.148 -0.579 -3.177) 4.510 11.453 ( 0.158 2.046 -4.968) 5.375 11.567 ( -2.408 -0.076 -8.973) 9.291 11.946 ( -5.529 -4.092 -2.562) 7.340 12.035 ( 8.191 -8.601 3.404) 12.355 12.176 ( 5.352 -10.282 -7.280) 13.688 12.514 ( 0.042 0.751 1.214) 1.428 12.871 ( 3.533 0.266 0.250) 3.551 13.108 ( 0.849 -0.945 -2.909) 3.175 13.201 ( -0.867 5.494 -1.701) 5.816 13.638 ( 1.112 -2.429 0.564) 2.730 13.804 ( 4.673 -3.587 2.142) 6.268 13.840 ( -0.683 -3.238 6.558) 7.346 14.162 ( 2.087 -5.402 2.865) 6.461 14.307 ( -2.677 3.755 3.484) 5.780 14.634 ( -1.644 1.729 -2.357) 3.353 14.717 ( -6.858 -4.457 -10.810) 13.556 14.963 ( 2.370 -11.861 -0.976) 12.135 15.218 ( 0.673 2.237 3.455) 4.170 15.412 ( -1.425 -0.416 5.731) 5.920 16.207 ( -0.655 6.016 -1.198) 6.169 16.334 ( -1.194 4.421 -7.290) 8.609 16.427 ( -6.548 0.811 3.754) 7.592 16.667 ( -2.517 1.629 -2.554) 3.939 16.840 ( 4.018 7.273 -2.214) 8.599 17.148 ( 1.582 2.701 -0.233) 3.139 17.244 ( -0.085 1.406 -3.922) 4.168 17.440 ( 2.945 -3.483 0.869) 4.643 24.702 ( -1.404 0.608 3.723) 4.025 24.781 ( 4.443 -1.033 5.069) 6.819 24.886 ( -2.027 3.927 1.461) 4.655 25.240 ( -3.359 -6.660 0.424) 7.471 25.559 ( -0.318 -1.083 6.956) 7.047 25.686 ( -1.306 -3.539 3.437) 5.103 25.858 ( 0.276 0.085 4.235) 4.245 26.008 ( -2.132 -1.685 0.624) 2.788 27.222 ( -0.235 2.676 3.679) 4.555 27.694 ( -2.061 -1.029 2.820) 3.642 27.705 ( -3.126 -6.385 0.266) 7.114 27.946 ( 3.102 -10.235 -7.322) 12.961 29.551 ( 1.279 2.248 2.403) 3.530 29.849 ( 0.014 -6.696 -3.438) 7.527 30.955 ( 1.455 19.511 -5.385) 20.292 31.253 ( 2.825 9.257 -9.020) 13.230 ======================= Grid point 107 (57/104) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -9.275 10.475 13.650) 19.547 1.734 ( -5.837 12.539 22.274) 26.219 2.134 ( 6.159 -3.427 6.558) 9.627 2.251 ( -3.434 0.873 -1.031) 3.690 2.562 ( 11.686 1.741 -1.887) 11.965 2.782 ( 3.327 -1.632 5.669) 6.773 2.807 ( 5.158 7.526 1.606) 9.264 2.975 ( 2.780 2.895 3.113) 5.079 3.073 ( -0.284 15.067 -1.978) 15.199 3.181 ( 1.444 2.787 1.073) 3.317 3.282 ( 5.860 8.021 -1.548) 10.054 3.316 ( -8.384 7.611 0.270) 11.326 3.382 ( 0.793 2.084 4.017) 4.594 3.453 ( 1.110 8.723 -0.793) 8.829 3.636 ( -5.152 8.383 5.965) 11.507 3.786 ( -15.366 11.596 10.680) 22.015 4.020 ( -0.963 -2.686 1.961) 3.462 4.086 ( -0.121 5.926 -8.499) 10.362 4.255 ( 6.965 -4.121 1.918) 8.317 4.414 ( -2.141 3.559 10.386) 11.186 4.609 ( 6.641 4.309 -4.222) 8.972 4.765 ( -1.287 -3.222 6.325) 7.214 4.888 ( -3.254 2.985 -2.477) 5.063 5.206 ( -4.797 -13.977 2.031) 14.916 5.411 ( 0.601 3.138 -2.438) 4.019 5.684 ( 4.178 -7.406 2.829) 8.961 5.825 ( 0.751 -2.939 -1.076) 3.219 5.920 ( 2.237 -6.065 3.279) 7.248 6.389 ( -0.696 1.840 1.183) 2.296 6.480 ( 2.609 2.756 3.251) 4.997 6.643 ( -1.964 4.997 5.165) 7.450 6.770 ( -4.544 0.155 -0.242) 4.553 6.954 ( -5.764 2.779 -6.383) 9.038 7.346 ( 1.759 -12.224 1.839) 12.486 7.438 ( -3.721 -0.772 -4.987) 6.270 7.554 ( -0.147 -3.435 -6.475) 7.331 7.643 ( -0.653 3.794 -4.702) 6.077 7.716 ( 7.097 7.054 1.628) 10.138 8.158 ( 1.619 -3.175 0.704) 3.632 8.197 ( -1.440 -3.825 0.509) 4.118 8.334 ( -2.149 3.272 -6.919) 7.950 8.572 ( -5.162 -0.094 -0.633) 5.202 8.593 ( 2.185 1.010 -0.813) 2.541 8.886 ( 3.640 -1.884 4.419) 6.027 9.024 ( 3.709 4.788 1.930) 6.356 9.428 ( -2.022 1.116 -1.335) 2.668 9.545 ( 1.669 3.988 -5.690) 7.147 9.717 ( 4.804 -3.881 1.633) 6.388 10.247 ( -2.681 1.514 5.113) 5.968 10.556 ( -1.795 -4.760 7.400) 8.980 10.814 ( -0.645 4.048 3.895) 5.655 11.081 ( -2.041 -1.503 -0.678) 2.624 11.309 ( -4.878 0.168 -3.764) 6.164 11.413 ( -1.689 -0.626 -2.886) 3.401 11.453 ( -4.507 -1.893 -7.049) 8.578 11.934 ( 4.726 -1.258 0.036) 4.890 12.179 ( 2.852 -4.306 1.538) 5.389 12.326 ( 13.499 -11.018 -8.141) 19.232 12.557 ( 4.191 1.067 0.815) 4.401 12.915 ( 1.812 -2.568 -7.096) 7.761 13.120 ( -1.884 8.489 -2.998) 9.198 13.200 ( 6.323 3.736 -0.685) 7.376 13.712 ( 4.962 -4.651 3.105) 7.476 13.841 ( -0.588 -6.039 4.004) 7.270 13.918 ( 4.102 -3.589 6.080) 8.165 14.186 ( 0.724 -2.771 -0.148) 2.868 14.292 ( -2.993 -0.247 3.374) 4.516 14.504 ( -9.706 -2.671 -8.981) 13.490 14.575 ( -2.972 -1.373 0.704) 3.349 14.956 ( -1.016 -10.854 -3.204) 11.362 15.273 ( 1.246 4.654 5.637) 7.416 15.462 ( 5.224 2.222 3.956) 6.919 16.097 ( -8.998 0.868 -2.049) 9.269 16.284 ( -1.703 -2.117 -1.794) 3.256 16.406 ( -0.015 8.768 4.648) 9.924 16.637 ( 2.186 4.676 -3.542) 6.261 16.887 ( 2.715 6.407 -3.432) 7.759 17.124 ( -3.062 4.023 -3.491) 6.144 17.215 ( -1.830 0.037 -0.242) 1.846 17.460 ( -1.165 -5.039 -0.451) 5.191 24.631 ( -6.373 2.482 2.767) 7.377 24.862 ( 0.097 -0.935 4.058) 4.166 24.909 ( 2.600 0.669 4.261) 5.036 25.129 ( -6.632 -7.635 -2.339) 10.380 25.610 ( 1.151 -3.176 8.218) 8.885 25.683 ( -0.808 -3.163 2.891) 4.361 25.890 ( 0.141 -1.716 5.322) 5.594 25.975 ( -1.247 -1.780 1.135) 2.452 27.248 ( 0.438 3.193 4.578) 5.598 27.601 ( -3.766 4.205 -4.431) 7.176 27.679 ( -3.027 -6.549 4.310) 8.404 27.992 ( 3.971 -7.771 -3.567) 9.427 29.602 ( 2.575 0.754 1.868) 3.269 29.839 ( 0.799 -5.749 -3.584) 6.821 30.985 ( 4.756 18.455 -5.966) 19.970 31.255 ( 2.344 9.261 -10.279) 14.033 ======================= Grid point 108 (58/104) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.609 17.649 13.300) 22.107 1.673 ( -11.320 18.175 17.379) 27.577 2.231 ( 1.321 0.780 0.887) 1.772 2.304 ( 6.637 -4.845 6.011) 10.181 2.749 ( 8.039 -2.890 -3.970) 9.420 2.797 ( -2.522 6.789 0.737) 7.280 2.844 ( -1.221 5.832 0.591) 5.988 3.037 ( 1.140 4.765 3.634) 6.099 3.069 ( 0.178 5.071 -0.029) 5.074 3.176 ( -4.896 10.092 4.889) 12.237 3.223 ( -0.544 8.387 5.385) 9.982 3.324 ( -1.687 4.411 -1.156) 4.862 3.433 ( -2.593 11.264 3.866) 12.188 3.497 ( 4.630 3.831 4.995) 7.814 3.547 ( -3.640 -0.778 6.436) 7.435 3.635 ( -3.349 7.052 6.267) 10.011 3.991 ( -2.557 4.812 -8.712) 10.276 4.084 ( 5.377 0.425 1.483) 5.594 4.383 ( -1.927 2.499 3.249) 4.529 4.465 ( 6.029 0.837 1.805) 6.348 4.669 ( -1.203 12.908 -0.164) 12.965 4.813 ( 0.116 -0.923 5.708) 5.783 4.841 ( 6.350 -6.852 -1.514) 9.463 5.133 ( -4.540 -15.303 6.905) 17.392 5.437 ( 2.484 -1.977 0.291) 3.188 5.734 ( -0.273 -10.097 4.942) 11.245 5.867 ( 4.694 1.773 -6.565) 8.263 5.975 ( 2.310 -4.493 1.888) 5.393 6.341 ( -7.067 2.454 3.506) 8.262 6.479 ( -6.848 1.092 0.715) 6.971 6.648 ( 4.742 3.044 -1.041) 5.730 6.711 ( -0.666 -0.137 -0.255) 0.726 6.823 ( -4.851 3.603 -1.258) 6.172 7.321 ( -1.657 -2.453 -5.507) 6.252 7.360 ( -3.185 -0.028 -5.047) 5.968 7.484 ( -4.607 -2.766 -8.695) 10.221 7.682 ( 5.922 1.845 2.036) 6.529 7.877 ( 7.707 3.352 2.449) 8.754 8.060 ( -3.617 -1.057 -0.585) 3.814 8.295 ( 2.590 0.422 3.314) 4.227 8.353 ( 6.533 0.846 0.542) 6.610 8.467 ( -5.065 -1.155 -1.627) 5.444 8.649 ( 4.876 -0.265 -1.316) 5.058 8.892 ( -4.122 -3.187 1.259) 5.360 9.085 ( 1.065 3.159 2.369) 4.089 9.382 ( -0.975 1.671 -4.328) 4.741 9.541 ( 1.187 5.580 -7.534) 9.450 9.780 ( 0.294 -5.655 0.761) 5.714 10.246 ( -1.143 0.404 7.673) 7.768 10.562 ( 0.621 -1.334 4.275) 4.521 10.813 ( -3.341 -0.913 3.654) 5.035 11.031 ( -0.926 -2.351 -0.557) 2.588 11.247 ( -0.282 -0.143 -4.571) 4.581 11.297 ( -6.415 -2.793 -1.171) 7.094 11.401 ( -0.288 2.491 -2.919) 3.848 12.034 ( 5.007 2.058 -4.387) 6.968 12.226 ( 2.908 -3.269 2.242) 4.916 12.493 ( 7.460 -10.978 -9.955) 16.592 12.641 ( 3.846 -0.704 -0.611) 3.957 12.887 ( 1.967 -3.058 -9.616) 10.280 13.053 ( -3.894 8.146 -2.467) 9.360 13.344 ( 6.340 2.954 -1.116) 7.083 13.736 ( -0.882 -7.168 -6.942) 10.018 13.879 ( -0.109 3.796 4.874) 6.179 14.044 ( 2.699 -12.586 5.028) 13.819 14.130 ( -4.021 -3.955 1.226) 5.772 14.256 ( -11.579 -0.589 -4.073) 12.288 14.336 ( 8.767 2.265 6.789) 11.317 14.584 ( 0.896 -4.367 5.939) 7.426 14.930 ( -0.231 -7.310 -4.014) 8.343 15.276 ( -3.530 6.028 1.918) 7.244 15.648 ( 10.836 0.909 7.196) 13.040 15.898 ( -9.764 3.360 -0.797) 10.356 16.291 ( 1.974 -5.827 4.020) 7.349 16.427 ( 0.966 9.419 3.772) 10.192 16.715 ( 6.847 5.227 -3.337) 9.238 16.906 ( 0.746 4.228 -3.555) 5.574 17.004 ( -7.462 4.769 -3.485) 9.517 17.182 ( -0.970 0.888 -1.847) 2.268 17.398 ( -4.417 -7.311 -1.296) 8.639 24.539 ( -4.132 2.918 1.909) 5.407 24.790 ( -8.011 -3.220 -0.594) 8.654 24.978 ( 1.543 -0.080 5.314) 5.534 25.056 ( -0.997 -2.834 4.857) 5.712 25.658 ( -0.077 -3.670 4.617) 5.899 25.684 ( -0.541 -3.269 3.884) 5.105 25.888 ( -2.075 -0.746 2.433) 3.283 25.998 ( 1.508 -5.290 4.732) 7.256 27.275 ( 0.076 1.498 5.053) 5.271 27.550 ( -0.069 5.370 -2.296) 5.840 27.635 ( -3.236 -5.909 3.199) 7.458 28.042 ( 2.932 -6.134 -3.228) 7.526 29.646 ( 0.953 0.086 0.675) 1.171 29.846 ( 1.776 -4.818 -3.135) 6.017 31.065 ( 7.166 16.577 -7.887) 19.707 31.230 ( 0.377 10.800 -11.266) 15.611 ======================= Grid point 109 (59/104) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -13.310 19.073 8.014) 24.601 1.992 ( 6.120 15.001 8.157) 18.138 2.232 ( 1.003 -9.204 2.487) 9.587 2.242 ( -4.725 -9.248 9.138) 13.833 2.707 ( 2.789 -2.823 -4.529) 6.021 2.715 ( 3.088 -2.467 -4.376) 5.896 2.889 ( -4.204 3.754 -5.719) 8.030 2.976 ( -2.863 -4.245 -1.391) 5.306 3.186 ( -0.352 5.025 4.974) 7.079 3.303 ( -10.726 2.794 8.276) 13.833 3.316 ( -2.386 -3.050 -6.060) 7.192 3.338 ( -8.588 4.745 1.664) 9.952 3.418 ( -3.701 3.374 -1.756) 5.307 3.449 ( -1.860 -1.071 1.922) 2.881 3.762 ( 4.323 7.034 -0.859) 8.301 3.932 ( 2.496 -5.928 -7.344) 9.763 4.065 ( 5.330 16.735 4.866) 18.225 4.235 ( -2.516 8.096 9.593) 12.802 4.357 ( -5.151 -0.573 6.720) 8.487 4.539 ( 2.355 -4.783 7.062) 8.849 4.681 ( 1.851 1.013 6.331) 6.673 4.839 ( 1.928 -11.763 10.355) 15.789 4.977 ( 6.702 3.222 6.317) 9.757 5.069 ( 8.318 2.217 2.209) 8.887 5.333 ( -4.446 3.542 1.508) 5.881 5.596 ( 0.561 -12.831 -1.441) 12.924 5.894 ( -0.336 1.422 -6.484) 6.647 5.932 ( -0.733 -0.639 -5.818) 5.899 6.287 ( -4.788 3.979 2.503) 6.710 6.352 ( -4.745 -1.725 0.941) 5.136 6.738 ( 2.064 2.371 1.923) 3.685 6.779 ( 1.614 0.675 1.692) 2.434 6.937 ( 2.662 5.971 0.858) 6.594 7.072 ( -3.427 -7.511 -0.594) 8.278 7.341 ( -1.344 4.022 -9.850) 10.724 7.401 ( 0.459 -1.476 -6.428) 6.611 7.847 ( 3.941 1.484 0.152) 4.214 7.876 ( 1.363 -1.023 3.469) 3.865 8.245 ( 4.903 1.042 2.587) 5.641 8.315 ( 3.949 -4.848 3.851) 7.343 8.458 ( -3.511 8.277 -0.011) 8.991 8.523 ( 4.515 5.278 1.126) 7.036 8.662 ( -3.050 -3.860 -4.892) 6.938 8.718 ( 5.169 -5.994 -0.305) 7.921 9.165 ( -3.237 5.653 2.917) 7.137 9.299 ( -3.358 -5.845 4.830) 8.293 9.608 ( 0.762 3.028 -11.141) 11.571 9.656 ( -0.300 -1.924 -9.416) 9.616 10.341 ( -0.378 5.574 9.582) 11.092 10.496 ( 0.954 -8.840 7.283) 11.493 10.785 ( -3.648 5.900 0.712) 6.973 10.917 ( -2.313 -6.564 1.784) 7.185 11.175 ( 1.223 0.090 -4.551) 4.714 11.196 ( 0.557 -1.536 -3.830) 4.164 11.679 ( 4.259 14.959 -6.181) 16.737 11.978 ( -0.655 -10.616 -7.886) 13.241 12.267 ( 5.251 2.648 -0.776) 5.932 12.377 ( 3.875 -5.196 -2.307) 6.880 12.596 ( -6.177 -0.938 -5.077) 8.051 12.688 ( -6.861 -8.017 -5.356) 11.834 13.169 ( -2.886 7.858 -2.280) 8.676 13.290 ( -4.812 -3.518 -3.876) 7.110 13.667 ( 2.524 2.353 -0.743) 3.530 13.789 ( -1.569 -8.077 1.190) 8.314 13.922 ( -4.181 2.556 5.387) 7.283 13.984 ( -4.977 -2.509 3.847) 6.772 14.354 ( 5.290 6.394 0.347) 8.305 14.482 ( 5.841 -5.420 2.073) 8.234 14.718 ( 9.624 2.968 4.668) 11.101 14.809 ( 4.865 -5.085 0.161) 7.039 15.292 ( -10.157 9.191 0.470) 13.706 15.487 ( -9.113 -8.453 -0.128) 12.430 16.185 ( 12.452 4.994 9.892) 16.669 16.278 ( 7.144 -4.210 7.655) 11.285 16.687 ( 3.299 9.307 -1.500) 9.988 16.787 ( -2.235 -0.742 -1.557) 2.824 16.852 ( -8.664 3.230 -2.368) 9.545 17.021 ( -3.977 -6.509 -4.434) 8.823 17.123 ( 2.709 2.172 -3.778) 5.131 17.202 ( 2.427 -3.235 -4.045) 5.720 24.566 ( -0.890 2.476 1.657) 3.109 24.614 ( -2.866 -1.982 1.340) 3.733 25.039 ( 0.941 1.671 4.992) 5.348 25.075 ( 1.793 -1.479 6.339) 6.752 25.613 ( -1.475 -0.851 3.804) 4.168 25.626 ( -1.404 -2.101 4.467) 5.132 25.896 ( -0.173 2.394 0.590) 2.472 25.955 ( 0.910 -3.225 1.363) 3.617 27.313 ( -2.045 2.622 2.027) 3.894 27.406 ( -2.584 -5.999 -0.284) 6.538 27.735 ( 0.692 7.256 -0.021) 7.289 27.902 ( 0.215 -8.103 -2.430) 8.463 29.683 ( -0.920 3.186 1.787) 3.767 29.764 ( 0.037 -4.387 1.124) 4.529 31.350 ( 2.791 5.020 -8.324) 10.113 31.362 ( 2.713 4.300 -11.135) 12.241 ======================= Grid point 110 (60/104) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -12.653 16.218 9.951) 22.851 1.998 ( -15.051 -12.715 6.013) 20.599 2.158 ( 4.196 10.717 7.160) 13.555 2.355 ( 4.980 -5.424 3.941) 8.351 2.676 ( -6.747 1.122 -1.498) 7.002 2.748 ( -1.348 -3.600 -3.152) 4.971 2.811 ( 0.604 7.344 -5.121) 8.974 2.951 ( -1.195 -2.520 3.800) 4.713 3.075 ( -7.802 1.191 6.152) 10.007 3.169 ( -6.243 -7.249 -0.339) 9.573 3.243 ( -3.798 6.537 -0.798) 7.603 3.305 ( 3.422 0.110 1.625) 3.790 3.361 ( -0.092 6.174 -2.934) 6.836 3.464 ( 2.232 -2.888 -1.022) 3.790 3.775 ( -1.594 5.193 -1.415) 5.613 3.895 ( -2.243 -3.258 -5.238) 6.564 4.169 ( 3.151 8.347 6.860) 11.254 4.284 ( 1.305 -1.117 7.487) 7.682 4.371 ( 0.379 11.441 15.803) 19.513 4.559 ( -3.270 -1.089 6.155) 7.054 4.736 ( -0.322 5.021 4.231) 6.573 4.879 ( -1.564 -5.834 1.773) 6.295 5.084 ( 2.153 0.441 1.819) 2.853 5.174 ( 0.366 -5.084 1.343) 5.271 5.311 ( 2.334 7.280 2.795) 8.140 5.603 ( 0.609 -14.178 -0.470) 14.199 5.814 ( -3.685 3.180 -6.684) 8.268 5.873 ( -2.113 -1.578 -5.557) 6.151 6.307 ( 3.683 2.905 4.518) 6.513 6.368 ( 5.428 -1.851 3.249) 6.591 6.700 ( -5.556 3.411 4.095) 7.699 6.779 ( -3.007 -3.610 0.642) 4.742 6.998 ( 3.952 7.256 0.098) 8.263 7.090 ( 6.256 -0.901 -1.516) 6.500 7.274 ( -0.723 5.906 -8.983) 10.774 7.416 ( 3.639 -6.433 -6.344) 9.740 7.849 ( -5.538 1.906 -0.063) 5.857 7.892 ( -0.163 -1.831 1.360) 2.287 8.320 ( 0.941 3.636 4.476) 5.843 8.362 ( -1.492 6.611 -0.505) 6.796 8.423 ( 1.445 -3.840 6.574) 7.750 8.507 ( -2.138 -4.382 -0.592) 4.912 8.668 ( 2.550 4.450 -5.589) 7.586 8.792 ( 0.149 -5.479 -3.789) 6.663 9.136 ( -0.374 6.152 0.581) 6.190 9.286 ( -0.222 -6.363 4.024) 7.532 9.563 ( 0.961 2.700 -9.651) 10.068 9.604 ( -0.392 -0.517 -7.161) 7.191 10.383 ( -1.251 5.339 11.715) 12.935 10.525 ( -3.318 -7.672 10.052) 13.074 10.793 ( 4.443 4.456 0.456) 6.310 10.910 ( 1.414 -6.212 0.023) 6.371 11.227 ( 5.676 0.436 -5.955) 8.238 11.233 ( 7.590 -0.636 -5.231) 9.240 11.668 ( -0.905 10.983 -7.297) 13.217 11.858 ( -5.789 -7.023 -5.195) 10.480 12.329 ( -8.852 -1.228 -5.391) 10.437 12.360 ( -7.393 4.153 -3.741) 9.268 12.430 ( -0.322 -5.416 -0.862) 5.494 12.598 ( 3.595 -13.034 -1.118) 13.567 13.130 ( -1.347 5.635 1.790) 6.064 13.212 ( -2.633 -1.477 1.416) 3.334 13.690 ( 0.477 3.297 -3.291) 4.683 13.765 ( -0.947 -3.115 -1.508) 3.588 13.882 ( -3.958 -0.421 7.449) 8.446 13.912 ( -2.735 -2.569 4.084) 5.546 14.456 ( 4.611 5.292 0.819) 7.066 14.588 ( 5.002 -6.575 -1.457) 8.389 14.812 ( -0.917 4.952 -1.789) 5.345 14.900 ( 0.929 -3.876 -3.166) 5.090 15.178 ( -0.926 6.792 7.408) 10.093 15.340 ( -5.412 -7.394 2.340) 9.458 16.409 ( 4.051 3.204 3.494) 6.236 16.451 ( 6.588 -1.263 5.446) 8.640 16.630 ( -7.014 5.240 0.185) 8.757 16.692 ( -5.300 -0.513 -0.797) 5.384 16.792 ( 4.004 5.903 -2.515) 7.563 16.997 ( 3.462 -8.597 -3.401) 9.872 17.198 ( 6.297 2.267 -3.306) 7.465 17.241 ( 3.762 -1.502 -5.207) 6.597 24.590 ( 2.201 1.320 2.059) 3.290 24.612 ( 1.595 -0.715 1.860) 2.553 25.066 ( -0.655 3.474 3.967) 5.314 25.133 ( 0.931 -2.609 6.089) 6.690 25.593 ( -2.291 -0.160 3.077) 3.839 25.618 ( -1.812 -2.771 4.820) 5.848 25.896 ( -0.077 3.286 0.468) 3.320 25.974 ( 0.338 -3.840 0.860) 3.950 27.288 ( -1.647 2.442 2.170) 3.658 27.389 ( 0.663 -7.213 1.436) 7.385 27.742 ( -0.022 5.260 0.477) 5.282 27.875 ( -1.360 -7.179 -3.395) 8.057 29.661 ( -2.170 4.259 1.858) 5.128 29.759 ( -1.101 -4.996 1.039) 5.220 31.325 ( 0.466 7.200 -9.378) 11.832 31.371 ( 2.629 2.758 -9.333) 10.081 ======================= Grid point 111 (61/104) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -2.306 8.656 14.647) 17.170 1.788 ( -10.157 -9.398 8.909) 16.458 2.225 ( -1.229 9.944 6.416) 11.898 2.435 ( -1.307 -8.622 6.598) 10.935 2.492 ( -7.831 4.830 -1.362) 9.301 2.622 ( -7.636 -7.259 -1.760) 10.682 2.832 ( 1.893 12.993 -2.921) 13.451 2.955 ( -0.218 5.943 7.585) 9.638 3.030 ( -1.840 -0.531 6.871) 7.133 3.104 ( 1.249 -8.356 0.441) 8.461 3.273 ( 4.973 1.236 -0.336) 5.135 3.314 ( 0.401 0.333 -2.167) 2.228 3.451 ( 7.657 3.263 -0.684) 8.351 3.506 ( 3.357 0.763 -3.114) 4.642 3.740 ( -1.184 3.930 1.102) 4.250 3.828 ( -1.810 -3.024 -3.588) 5.029 4.243 ( 0.922 3.821 4.029) 5.629 4.292 ( -4.301 -1.417 3.427) 5.679 4.464 ( -0.111 10.177 16.311) 19.226 4.526 ( -3.814 4.028 10.282) 11.683 4.674 ( -7.762 4.547 2.493) 9.335 4.815 ( -3.373 -2.106 -3.368) 5.212 5.074 ( -2.066 0.667 -3.282) 3.935 5.153 ( -2.407 -7.821 -0.825) 8.224 5.401 ( 4.386 6.147 3.272) 8.230 5.618 ( 1.059 -12.109 1.296) 12.224 5.708 ( -3.741 5.749 -6.026) 9.130 5.806 ( -2.464 -3.269 -2.934) 5.037 6.425 ( 4.422 4.226 3.932) 7.271 6.478 ( 1.882 0.124 1.096) 2.181 6.640 ( -1.918 3.197 5.993) 7.058 6.768 ( 3.372 -9.815 3.907) 11.089 7.088 ( 3.166 8.579 -0.153) 9.146 7.169 ( 2.384 8.525 -7.149) 11.378 7.270 ( 5.484 -2.565 -2.316) 6.482 7.432 ( 0.668 -11.062 -7.520) 13.393 7.734 ( -3.895 4.572 -1.982) 6.325 7.839 ( -4.344 -4.466 0.121) 6.232 8.308 ( -4.183 6.047 0.974) 7.417 8.356 ( 1.576 5.149 -1.433) 5.572 8.462 ( -1.801 0.978 6.217) 6.546 8.541 ( 1.833 -5.533 0.845) 5.890 8.632 ( -0.907 0.304 -3.840) 3.957 8.709 ( -2.663 -4.576 -6.227) 8.174 9.126 ( -0.669 8.927 -2.315) 9.247 9.314 ( 0.553 -7.155 4.712) 8.585 9.565 ( 2.555 1.114 -4.882) 5.622 9.583 ( 1.284 0.469 -4.995) 5.179 10.390 ( -4.236 4.070 11.542) 12.950 10.488 ( -5.382 -4.628 10.473) 12.652 10.885 ( 3.191 3.252 2.214) 5.066 10.972 ( 4.614 -4.126 -0.753) 6.236 11.335 ( 9.040 3.712 -9.038) 13.311 11.405 ( 13.233 -2.773 -7.936) 15.677 11.626 ( 0.132 8.041 -4.434) 9.183 11.788 ( -0.044 -7.260 1.595) 7.433 12.053 ( -13.408 -2.478 -10.530) 17.228 12.094 ( -11.636 -5.005 -5.504) 13.810 12.523 ( 3.115 3.367 3.814) 5.966 12.680 ( 2.919 -10.262 4.130) 11.441 13.128 ( -0.210 4.803 3.808) 6.134 13.215 ( 1.433 -1.484 4.405) 4.864 13.642 ( -3.769 1.509 -2.473) 4.754 13.717 ( -3.034 -4.024 -3.574) 6.178 13.862 ( 0.185 3.499 4.664) 5.834 13.952 ( 2.631 -5.009 5.622) 7.976 14.507 ( -0.354 7.132 0.891) 7.196 14.655 ( 3.839 -4.538 -3.978) 7.152 14.746 ( -2.639 0.568 -2.482) 3.668 14.809 ( -5.116 -3.145 -8.904) 10.739 15.240 ( 1.213 3.047 5.822) 6.683 15.326 ( -0.019 -4.745 7.241) 8.657 16.397 ( -5.284 5.131 -0.633) 7.392 16.447 ( -2.525 0.460 -2.188) 3.372 16.561 ( -3.954 2.648 0.471) 4.782 16.648 ( 0.639 -3.940 0.332) 4.005 16.907 ( 7.690 8.483 -1.035) 11.497 17.079 ( 5.701 -5.551 -1.880) 8.176 17.273 ( 2.045 0.612 -4.756) 5.213 17.298 ( 5.191 -1.068 -2.113) 5.705 24.658 ( 3.427 0.667 2.933) 4.560 24.673 ( 3.127 -0.706 3.160) 4.501 25.047 ( -2.950 5.212 1.880) 6.277 25.155 ( -1.593 -4.675 3.615) 6.121 25.566 ( -2.150 0.824 3.911) 4.538 25.609 ( -1.601 -3.288 4.812) 6.044 25.896 ( -0.196 3.427 0.404) 3.457 25.974 ( -0.583 -3.652 0.170) 3.702 27.286 ( 0.168 4.722 3.287) 5.756 27.437 ( 2.569 -9.627 4.085) 10.768 27.741 ( -0.331 2.841 0.490) 2.902 27.825 ( -1.690 -5.273 -4.319) 7.023 29.632 ( -1.771 4.789 2.016) 5.490 29.739 ( -1.337 -5.401 0.810) 5.623 31.288 ( 0.660 8.972 -8.979) 12.710 31.367 ( 1.987 1.361 -9.129) 9.442 ======================= Grid point 112 (62/104) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -0.047 2.843 15.082) 15.348 1.713 ( -0.301 -0.409 11.932) 11.943 2.187 ( -6.286 8.010 8.388) 13.192 2.329 ( -7.311 -3.284 7.537) 11.002 2.472 ( 2.380 0.639 -3.051) 3.922 2.567 ( 3.350 -7.666 -0.336) 8.373 2.881 ( 4.313 13.799 3.222) 14.812 3.018 ( 2.446 6.250 7.089) 9.762 3.093 ( 4.246 -1.731 5.656) 7.282 3.154 ( 1.555 -7.793 4.016) 8.904 3.318 ( 0.924 2.808 -1.469) 3.301 3.353 ( 2.934 -0.196 -3.009) 4.207 3.550 ( 2.580 5.922 -2.170) 6.815 3.580 ( 6.087 3.434 -0.781) 7.032 3.752 ( 1.397 3.018 2.832) 4.368 3.842 ( 5.375 -5.326 -1.751) 7.767 4.144 ( -8.286 3.540 -2.696) 9.405 4.236 ( -4.656 -4.317 -5.291) 8.265 4.469 ( -8.506 9.316 13.153) 18.225 4.517 ( -2.193 10.806 9.633) 14.641 4.541 ( -6.850 2.595 10.848) 13.089 4.759 ( -1.689 -1.835 -1.471) 2.896 5.000 ( -3.230 -2.062 -6.529) 7.570 5.066 ( -5.793 -8.960 -0.848) 10.704 5.493 ( 3.046 4.357 3.721) 6.489 5.609 ( -1.606 2.032 -2.772) 3.793 5.692 ( 3.557 -3.831 0.705) 5.275 5.769 ( 0.238 -3.747 -1.047) 3.898 6.451 ( -0.624 2.919 -0.278) 2.998 6.481 ( -0.396 0.471 2.679) 2.749 6.703 ( 2.607 5.468 8.176) 10.175 6.884 ( 3.235 -10.288 4.275) 11.601 7.022 ( -4.895 7.555 -5.466) 10.532 7.171 ( -2.812 0.029 -9.226) 9.645 7.344 ( 2.610 -4.499 -0.141) 5.203 7.426 ( 4.221 -7.693 -4.395) 9.813 7.730 ( 3.949 6.299 0.712) 7.469 7.806 ( 1.018 0.446 -0.450) 1.199 8.168 ( -8.822 3.705 -2.650) 9.929 8.286 ( -9.937 -4.914 -4.331) 11.901 8.449 ( 1.469 4.364 -4.617) 6.521 8.525 ( 1.400 -2.742 -2.713) 4.103 8.656 ( 0.770 2.100 2.012) 3.008 8.730 ( 4.369 -3.659 0.839) 5.760 9.126 ( 1.191 10.530 2.889) 10.984 9.349 ( -0.112 -8.986 7.158) 11.489 9.587 ( 1.731 1.209 -2.563) 3.321 9.598 ( 3.905 0.087 -8.405) 9.268 10.353 ( -4.635 3.830 8.537) 10.442 10.447 ( -4.248 -4.793 10.580) 12.368 10.928 ( 0.550 5.136 1.539) 5.390 11.031 ( 1.301 -4.103 0.445) 4.327 11.436 ( 6.027 6.534 -8.868) 12.556 11.515 ( -2.825 1.942 -7.367) 8.125 11.588 ( -1.192 2.020 -9.685) 9.965 11.752 ( -5.586 -11.380 -6.210) 14.116 11.935 ( 9.702 -0.095 3.186) 10.212 12.011 ( 4.554 -5.844 0.983) 7.474 12.573 ( 1.489 5.331 2.669) 6.145 12.742 ( 2.208 -9.627 1.769) 10.034 13.178 ( 3.756 6.685 4.292) 8.788 13.280 ( 2.305 -0.211 3.634) 4.308 13.555 ( -3.357 -1.182 -0.963) 3.687 13.648 ( -2.592 -7.719 -0.916) 8.193 13.916 ( 2.722 5.358 3.553) 6.981 14.031 ( 2.555 -5.777 4.688) 7.866 14.465 ( -3.082 9.632 -0.937) 10.157 14.649 ( -5.990 -4.457 -8.895) 11.613 14.659 ( -2.083 0.978 -6.318) 6.724 14.729 ( 0.628 -8.218 -1.844) 8.446 15.290 ( 1.947 4.066 6.149) 7.624 15.371 ( 1.459 -3.208 6.836) 7.691 16.284 ( -6.669 2.760 -1.036) 7.292 16.341 ( -6.768 -2.484 -2.540) 7.644 16.546 ( 1.588 7.180 0.500) 7.371 16.651 ( 0.348 -2.700 -0.818) 2.842 17.018 ( 4.973 8.133 -3.832) 10.274 17.156 ( 3.497 -3.539 -3.818) 6.271 17.263 ( -1.289 2.594 -1.784) 3.402 17.353 ( 1.136 -4.588 -0.719) 4.781 24.721 ( 0.569 1.156 4.388) 4.573 24.751 ( 2.832 -1.578 4.880) 5.859 24.983 ( -3.752 5.082 0.023) 6.317 25.101 ( -5.008 -6.067 -0.014) 7.867 25.561 ( -0.838 1.244 5.475) 5.677 25.609 ( -0.944 -3.175 4.685) 5.738 25.895 ( -0.148 2.676 0.653) 2.759 25.957 ( -1.115 -2.903 -0.189) 3.116 27.321 ( 1.150 6.697 4.417) 8.105 27.501 ( 1.107 -9.864 5.280) 11.243 27.728 ( -1.134 2.201 -1.364) 2.827 27.796 ( 1.381 -4.517 -3.316) 5.771 29.623 ( -0.160 4.277 2.136) 4.784 29.724 ( -0.509 -5.226 0.642) 5.290 31.268 ( 1.995 9.552 -8.774) 13.123 31.361 ( 2.408 0.605 -9.441) 9.762 ======================= Grid point 113 (63/104) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.939 11.040 9.686) 14.717 1.889 ( 7.791 -3.281 12.759) 15.306 2.117 ( -5.675 6.645 11.005) 14.052 2.251 ( -4.684 -2.791 8.911) 10.446 2.577 ( 8.448 1.214 -3.967) 9.411 2.659 ( 5.401 -6.465 -2.114) 8.686 3.013 ( 5.438 9.632 6.701) 12.933 3.085 ( 0.676 6.587 3.350) 7.421 3.157 ( -2.610 -3.549 -0.696) 4.460 3.196 ( 2.749 -1.986 6.068) 6.951 3.357 ( 0.866 -1.275 0.824) 1.748 3.358 ( 3.759 -1.042 0.753) 3.972 3.568 ( 2.199 14.107 -5.249) 15.211 3.695 ( 5.519 6.692 0.453) 8.686 3.784 ( -2.217 4.661 1.768) 5.456 3.847 ( -8.385 -4.663 -1.559) 9.720 4.025 ( -6.274 2.084 -3.538) 7.499 4.137 ( 7.903 -3.908 -5.387) 10.332 4.372 ( -7.039 14.983 11.446) 20.126 4.509 ( -1.105 4.502 8.295) 9.503 4.563 ( 0.699 -2.976 10.511) 10.947 4.707 ( -4.109 -5.497 2.256) 7.224 4.883 ( -5.602 -4.309 -2.591) 7.528 4.977 ( -3.929 -6.766 2.272) 8.147 5.501 ( -2.891 4.663 0.113) 5.488 5.597 ( 0.205 -0.825 0.165) 0.866 5.777 ( 5.782 -1.016 -1.750) 6.126 5.830 ( 5.491 -2.725 0.658) 6.165 6.460 ( 1.319 4.349 1.377) 4.749 6.520 ( 2.951 -0.280 3.329) 4.458 6.733 ( -4.836 4.290 5.141) 8.260 6.792 ( -9.092 0.836 -3.775) 9.880 6.963 ( -4.021 -0.614 -3.742) 5.527 7.071 ( 1.483 -11.085 -0.988) 11.227 7.416 ( 4.009 0.458 -0.781) 4.110 7.467 ( 1.946 -3.873 -4.351) 6.142 7.784 ( -2.979 7.228 -5.330) 9.462 7.849 ( 5.449 3.239 -0.253) 6.344 8.064 ( -4.046 -3.092 -2.263) 5.572 8.104 ( 1.082 -4.525 -1.029) 4.765 8.440 ( -0.063 4.592 -3.653) 5.868 8.519 ( -2.373 -3.111 -0.143) 3.916 8.673 ( 1.191 5.486 -1.613) 5.841 8.803 ( 1.673 -5.714 1.206) 6.075 9.177 ( 1.085 9.140 5.609) 10.778 9.364 ( -2.206 -7.003 7.105) 10.217 9.611 ( 2.802 2.032 -5.399) 6.413 9.646 ( 5.392 -2.103 -8.474) 10.262 10.316 ( -3.296 4.913 7.646) 9.668 10.438 ( -2.104 -6.066 9.162) 11.187 10.923 ( -1.985 5.441 1.854) 6.081 11.023 ( -2.177 -3.819 0.160) 4.399 11.349 ( -7.475 1.958 -4.756) 9.074 11.395 ( -8.234 -2.120 -5.760) 10.269 11.516 ( 4.420 9.589 -8.338) 13.454 11.775 ( 7.476 -12.510 -5.980) 15.753 12.137 ( 6.249 0.463 0.370) 6.277 12.176 ( 11.708 -3.434 0.050) 12.201 12.628 ( 3.421 5.469 0.945) 6.520 12.779 ( 1.781 -8.104 -2.701) 8.726 13.296 ( -1.046 5.864 -1.382) 6.114 13.302 ( 6.724 5.806 2.224) 9.158 13.545 ( 0.839 -5.116 3.173) 6.078 13.644 ( 3.021 -10.731 3.741) 11.759 13.973 ( 0.865 4.574 3.232) 5.667 14.074 ( -0.642 -5.226 3.588) 6.372 14.396 ( -3.597 6.402 -2.675) 7.816 14.486 ( -6.586 -1.450 -8.157) 10.584 14.570 ( -3.193 2.775 -2.152) 4.746 14.723 ( 0.040 -10.220 -2.063) 10.426 15.382 ( 3.749 5.014 6.613) 9.107 15.463 ( 5.114 -2.158 5.827) 8.048 16.134 ( -8.754 2.571 -0.368) 9.131 16.205 ( -6.389 -4.006 0.255) 7.545 16.593 ( 2.333 7.016 0.774) 7.435 16.675 ( 3.230 -0.951 -1.265) 3.597 17.054 ( 2.152 7.786 -7.335) 10.912 17.166 ( 0.152 -1.217 -5.600) 5.733 17.210 ( -4.007 1.754 0.962) 4.479 17.326 ( -3.893 -7.009 0.322) 8.024 24.698 ( -5.004 3.849 3.553) 7.244 24.792 ( -2.590 -4.647 4.825) 7.182 24.948 ( 0.094 2.394 1.605) 2.883 25.008 ( -2.883 -3.721 -0.179) 4.710 25.583 ( -0.119 0.451 6.054) 6.072 25.618 ( -0.552 -2.593 4.282) 5.037 25.898 ( -0.053 1.503 1.014) 1.814 25.936 ( -0.829 -1.933 -0.043) 2.104 27.352 ( -0.473 6.473 4.013) 7.631 27.513 ( -2.095 -8.321 3.284) 9.188 27.706 ( 0.312 5.557 -2.146) 5.965 27.837 ( 3.541 -6.805 -1.467) 7.810 29.644 ( 1.129 3.209 2.104) 4.000 29.729 ( 0.596 -4.601 0.709) 4.693 31.279 ( 3.765 8.909 -8.850) 13.110 31.364 ( 3.021 0.720 -10.015) 10.485 ======================= Grid point 114 (64/104) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 6.088 15.791 6.841) 18.254 2.043 ( -5.392 14.214 15.190) 21.490 2.109 ( 5.604 -9.738 2.411) 11.491 2.255 ( -0.986 -3.600 12.135) 12.696 2.679 ( 4.185 -2.273 -4.747) 6.724 2.705 ( 1.419 -4.492 -5.130) 6.965 3.013 ( -5.604 2.435 -4.500) 7.588 3.058 ( -4.546 -2.060 -1.507) 5.213 3.130 ( 1.987 7.775 5.207) 9.566 3.279 ( 3.216 -3.409 2.769) 5.444 3.387 ( 1.154 4.612 -0.484) 4.779 3.445 ( 1.976 -0.586 1.826) 2.754 3.556 ( -12.777 4.999 5.860) 14.919 3.610 ( -13.094 0.763 -0.792) 13.140 3.654 ( 3.958 11.137 -0.601) 11.834 3.854 ( 8.136 5.565 -3.412) 10.431 3.977 ( 2.239 6.023 -3.820) 7.475 4.255 ( -0.488 7.847 3.969) 8.807 4.388 ( 3.857 -5.224 6.464) 9.162 4.488 ( -5.585 2.584 7.145) 9.429 4.629 ( 1.362 -4.929 3.695) 6.309 4.718 ( 3.220 -8.830 13.206) 16.209 4.849 ( 2.151 0.538 5.761) 6.173 4.948 ( 0.821 -3.207 3.003) 4.470 5.423 ( -4.953 4.949 -0.318) 7.009 5.597 ( 0.017 -6.880 -0.687) 6.914 5.871 ( 5.072 1.339 -4.155) 6.692 5.923 ( 3.836 -1.495 -1.947) 4.554 6.436 ( -7.700 5.437 0.748) 9.455 6.498 ( -9.679 -0.135 0.461) 9.691 6.672 ( 2.000 0.089 -2.669) 3.337 6.693 ( 3.791 -1.197 3.233) 5.124 6.922 ( -0.646 5.936 1.275) 6.106 7.108 ( 0.187 -11.501 1.813) 11.644 7.420 ( -1.514 2.275 -8.734) 9.152 7.453 ( -1.240 -1.018 -4.955) 5.208 7.754 ( 3.360 4.680 -0.387) 5.774 7.851 ( -0.104 -3.974 -2.269) 4.577 8.118 ( 7.132 3.905 1.725) 8.312 8.208 ( 6.322 -4.847 0.535) 7.984 8.441 ( 1.727 3.895 0.466) 4.286 8.483 ( -0.718 1.336 2.590) 3.002 8.664 ( -0.155 2.748 -4.385) 5.178 8.783 ( -3.967 -6.688 -0.560) 7.797 9.198 ( -1.808 7.051 4.846) 8.745 9.341 ( -3.452 -5.180 5.484) 8.296 9.627 ( 2.289 2.780 -8.295) 9.043 9.684 ( 2.717 -3.307 -9.190) 10.138 10.312 ( -1.375 5.531 8.262) 10.037 10.454 ( -0.439 -7.143 7.185) 10.142 10.870 ( -4.906 4.768 2.164) 7.175 10.966 ( -3.336 -3.844 0.319) 5.099 11.226 ( -3.644 -0.573 -4.543) 5.852 11.245 ( -4.474 -2.181 -3.166) 5.899 11.591 ( 6.790 13.754 -5.481) 16.289 11.910 ( 8.992 -14.267 -4.823) 17.540 12.212 ( 3.315 4.213 -4.307) 6.877 12.325 ( 5.460 -5.837 -4.744) 9.295 12.672 ( -0.283 3.437 -0.572) 3.495 12.773 ( -0.674 -5.735 -3.884) 6.959 13.244 ( -2.892 8.316 -3.357) 9.423 13.377 ( -0.051 -2.777 -4.702) 5.461 13.602 ( 3.738 0.529 2.969) 4.803 13.766 ( 4.037 -11.874 5.403) 13.656 13.967 ( -2.660 3.339 2.751) 5.078 14.042 ( -3.501 -3.433 2.862) 5.678 14.318 ( -2.384 4.424 -1.265) 5.182 14.393 ( 0.970 -1.036 0.131) 1.426 14.567 ( 3.200 4.959 2.152) 6.282 14.739 ( 2.837 -9.527 -1.237) 10.017 15.427 ( -2.921 7.559 1.819) 8.305 15.576 ( 1.414 -6.046 3.318) 7.041 16.017 ( -1.510 6.439 4.927) 8.246 16.154 ( 0.594 -6.580 6.202) 9.061 16.636 ( 2.620 8.668 -0.573) 9.073 16.748 ( 4.733 -1.830 -2.056) 5.475 17.023 ( -4.119 6.063 -5.039) 8.895 17.092 ( -3.454 4.153 -2.295) 5.869 17.162 ( -0.713 -3.205 -6.034) 6.869 17.226 ( -5.699 -7.638 0.909) 9.573 24.611 ( -4.701 3.865 1.948) 6.390 24.701 ( -6.703 -4.537 1.574) 8.245 24.988 ( 1.822 1.040 4.479) 4.946 25.015 ( 1.367 -1.417 4.377) 4.800 25.608 ( -0.512 -0.592 5.531) 5.586 25.626 ( -0.801 -2.058 3.828) 4.419 25.898 ( -0.386 1.330 0.748) 1.574 25.934 ( 0.460 -2.034 0.958) 2.294 27.342 ( -2.057 4.672 2.597) 5.728 27.467 ( -3.477 -6.871 0.617) 7.725 27.717 ( 1.337 7.742 -0.874) 7.905 27.888 ( 2.329 -8.033 -1.530) 8.502 29.675 ( 0.765 2.638 1.910) 3.345 29.749 ( 0.914 -4.158 0.967) 4.365 31.315 ( 4.644 7.110 -8.954) 12.341 31.369 ( 2.806 2.058 -10.547) 11.106 ======================= Grid point 133 (65/104) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -2.348 0.000 21.507) 21.635 1.708 ( 1.210 0.000 25.950) 25.978 2.085 ( 1.863 0.000 -9.450) 9.632 2.353 ( -5.420 0.000 12.256) 13.401 2.570 ( -0.333 0.000 -4.496) 4.508 2.787 ( -2.038 0.000 7.309) 7.588 2.895 ( -2.789 0.000 -1.330) 3.090 2.918 ( 3.502 0.000 3.185) 4.734 2.977 ( 1.377 0.000 -4.021) 4.250 3.003 ( -3.123 0.000 -4.134) 5.181 3.206 ( 2.284 0.000 0.844) 2.436 3.324 ( 0.401 0.000 1.947) 1.988 3.528 ( -4.815 0.000 4.339) 6.482 3.579 ( -7.512 0.000 12.283) 14.398 3.653 ( 5.034 0.000 18.527) 19.199 3.785 ( 3.157 0.000 -3.544) 4.746 3.801 ( -0.388 0.000 8.622) 8.631 3.993 ( -2.116 0.000 -1.100) 2.385 4.189 ( 11.432 0.000 3.258) 11.887 4.385 ( -2.177 0.000 3.925) 4.488 4.589 ( -5.265 0.000 -1.933) 5.608 4.920 ( 5.571 0.000 -3.673) 6.673 5.055 ( 2.781 0.000 8.012) 8.481 5.464 ( -4.583 0.000 -6.676) 8.098 5.482 ( 7.962 0.000 -13.541) 15.708 5.608 ( -7.097 0.000 -11.681) 13.668 6.040 ( 0.273 0.000 -0.125) 0.300 6.045 ( -1.672 0.000 -0.438) 1.728 6.299 ( -6.661 0.000 3.032) 7.319 6.336 ( -0.794 0.000 -2.738) 2.851 6.529 ( -1.945 0.000 2.386) 3.079 6.616 ( 3.546 0.000 1.370) 3.802 6.687 ( -1.842 0.000 -1.719) 2.519 6.811 ( -2.651 0.000 -11.691) 11.988 7.418 ( 10.657 0.000 4.137) 11.431 7.575 ( -7.019 0.000 -3.974) 8.066 7.673 ( 2.195 0.000 8.169) 8.459 7.856 ( 1.947 0.000 0.320) 1.973 8.097 ( 3.985 0.000 7.153) 8.188 8.209 ( -5.187 0.000 -0.142) 5.189 8.401 ( -6.387 0.000 -6.462) 9.086 8.520 ( 4.301 0.000 -5.727) 7.162 8.796 ( -3.041 0.000 2.190) 3.748 8.855 ( 2.523 0.000 -7.522) 7.934 9.030 ( -0.577 0.000 0.439) 0.725 9.185 ( 6.434 0.000 -4.535) 7.871 9.271 ( -2.218 0.000 9.408) 9.666 9.694 ( -5.320 0.000 -10.982) 12.203 10.527 ( -5.580 0.000 12.904) 14.059 10.586 ( -0.839 0.000 7.541) 7.587 10.939 ( 2.698 0.000 -9.047) 9.441 10.955 ( 7.365 0.000 -5.560) 9.228 11.133 ( -1.432 0.000 -0.332) 1.470 11.228 ( -4.963 0.000 -2.323) 5.480 11.916 ( 3.488 0.000 6.165) 7.083 11.966 ( 0.635 0.000 5.533) 5.569 12.372 ( 8.111 0.000 7.771) 11.233 12.500 ( -5.556 0.000 1.308) 5.708 12.748 ( 3.127 0.000 -2.619) 4.079 12.795 ( -0.158 0.000 -9.241) 9.243 12.919 ( 5.400 0.000 -5.471) 7.688 13.072 ( -9.337 0.000 -17.072) 19.458 13.651 ( 8.771 0.000 -1.229) 8.857 13.720 ( -2.753 0.000 -2.204) 3.527 14.126 ( -5.936 0.000 8.944) 10.735 14.263 ( -9.701 0.000 5.288) 11.048 14.270 ( 5.013 0.000 -1.296) 5.177 14.682 ( -6.631 0.000 -9.799) 11.832 14.863 ( 4.314 0.000 8.968) 9.952 15.044 ( -0.719 0.000 -2.163) 2.280 15.322 ( 11.187 0.000 2.365) 11.434 15.494 ( -6.904 0.000 -4.258) 8.112 16.073 ( 18.019 0.000 2.090) 18.140 16.168 ( -16.144 0.000 -2.596) 16.351 16.560 ( 10.191 0.000 2.671) 10.535 16.612 ( -0.740 0.000 0.844) 1.122 16.687 ( 2.470 0.000 5.309) 5.855 16.850 ( -0.926 0.000 -2.264) 2.446 17.166 ( -4.532 0.000 7.165) 8.478 17.423 ( -1.583 0.000 -5.249) 5.483 24.500 ( 0.509 0.000 3.227) 3.267 24.628 ( -3.785 0.000 -3.178) 4.943 25.108 ( -2.328 0.000 6.358) 6.771 25.278 ( 2.190 0.000 2.300) 3.176 25.698 ( -0.668 0.000 2.245) 2.343 25.771 ( -3.393 0.000 1.602) 3.752 26.029 ( 1.555 0.000 5.064) 5.297 26.246 ( -7.865 0.000 -5.911) 9.839 27.566 ( -0.309 0.000 11.222) 11.226 27.733 ( -5.403 0.000 6.809) 8.692 28.009 ( 2.321 0.000 -10.894) 11.139 28.092 ( 17.761 0.000 -10.396) 20.580 29.535 ( -0.190 0.000 2.234) 2.242 29.674 ( -0.127 0.000 -4.064) 4.066 30.513 ( -1.623 0.000 2.359) 2.863 30.630 ( 0.449 0.000 -2.995) 3.029 ======================= Grid point 134 (66/104) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 9.689 0.000 17.484) 19.989 1.891 ( 3.357 0.000 23.772) 24.007 2.104 ( 4.675 0.000 -7.140) 8.534 2.252 ( -9.144 0.000 6.538) 11.241 2.518 ( -4.084 0.000 -0.487) 4.113 2.639 ( -12.049 0.000 -2.311) 12.269 2.769 ( -10.121 0.000 1.083) 10.179 2.914 ( -3.737 0.000 -1.892) 4.189 2.989 ( 1.048 0.000 2.085) 2.334 3.048 ( 5.890 0.000 1.869) 6.179 3.217 ( -1.276 0.000 -2.535) 2.838 3.299 ( -2.806 0.000 -2.450) 3.725 3.456 ( -5.047 0.000 6.537) 8.259 3.472 ( -9.980 0.000 12.106) 15.689 3.752 ( -5.351 0.000 6.542) 8.451 3.817 ( 4.104 0.000 1.078) 4.243 3.893 ( 6.293 0.000 13.267) 14.684 4.027 ( 3.245 0.000 1.005) 3.397 4.277 ( -8.023 0.000 -9.134) 12.157 4.395 ( 8.279 0.000 -2.771) 8.731 4.454 ( -8.325 0.000 8.433) 11.850 4.943 ( -1.226 0.000 -5.035) 5.182 5.103 ( -4.655 0.000 8.547) 9.733 5.408 ( -7.986 0.000 -8.926) 11.977 5.420 ( 5.084 0.000 -3.399) 6.115 5.537 ( 5.938 0.000 -13.029) 14.319 6.032 ( 0.537 0.000 -0.876) 1.027 6.084 ( 3.967 0.000 0.557) 4.005 6.211 ( -4.437 0.000 2.700) 5.194 6.379 ( 4.565 0.000 3.028) 5.478 6.521 ( -1.125 0.000 5.478) 5.592 6.712 ( 5.441 0.000 0.539) 5.468 6.721 ( 6.644 0.000 0.641) 6.675 6.741 ( 0.396 0.000 -8.994) 9.003 7.483 ( 1.513 0.000 -5.734) 5.930 7.667 ( 11.145 0.000 4.047) 11.856 7.739 ( 0.623 0.000 4.424) 4.468 7.874 ( -0.715 0.000 -2.669) 2.763 8.099 ( -5.527 0.000 4.939) 7.412 8.158 ( -0.519 0.000 4.928) 4.955 8.233 ( -6.242 0.000 -7.493) 9.752 8.590 ( 4.901 0.000 -8.140) 9.501 8.770 ( -0.841 0.000 0.302) 0.894 8.877 ( 2.745 0.000 1.406) 3.084 8.927 ( -8.507 0.000 2.130) 8.770 9.178 ( -2.278 0.000 -10.776) 11.014 9.367 ( 4.971 0.000 8.819) 10.123 9.639 ( 2.789 0.000 -3.272) 4.299 10.475 ( -4.255 0.000 9.432) 10.347 10.512 ( -8.331 0.000 4.522) 9.479 10.972 ( 4.129 0.000 -6.611) 7.795 11.107 ( 2.646 0.000 -3.994) 4.791 11.169 ( -0.835 0.000 -1.960) 2.130 11.194 ( 13.675 0.000 2.437) 13.890 11.960 ( -3.740 0.000 0.716) 3.808 12.012 ( 4.007 0.000 4.342) 5.909 12.403 ( -4.083 0.000 0.687) 4.141 12.456 ( -6.043 0.000 7.834) 9.894 12.731 ( -4.497 0.000 -8.082) 9.249 12.743 ( 0.638 0.000 -8.637) 8.661 12.852 ( -4.758 0.000 -5.864) 7.551 12.956 ( 2.049 0.000 -6.006) 6.346 13.672 ( -1.575 0.000 -4.626) 4.887 13.749 ( 4.195 0.000 -2.623) 4.947 13.987 ( -5.464 0.000 8.278) 9.919 14.311 ( 3.364 0.000 15.429) 15.792 14.404 ( 5.228 0.000 -0.794) 5.288 14.530 ( -2.904 0.000 -5.944) 6.616 15.016 ( 0.548 0.000 -3.349) 3.394 15.019 ( 7.330 0.000 5.342) 9.070 15.308 ( -9.138 0.000 -8.778) 12.671 15.536 ( 9.185 0.000 4.492) 10.225 15.837 ( -15.882 0.000 -4.526) 16.515 16.360 ( 9.936 0.000 1.398) 10.034 16.528 ( -4.685 0.000 -5.461) 7.195 16.716 ( 0.878 0.000 0.793) 1.183 16.740 ( -1.672 0.000 4.940) 5.215 16.792 ( 1.376 0.000 -5.836) 5.996 17.189 ( 2.293 0.000 10.223) 10.477 17.404 ( 1.847 0.000 -2.993) 3.517 24.572 ( 4.997 0.000 4.199) 6.527 24.607 ( 2.477 0.000 -1.181) 2.744 25.075 ( -4.667 0.000 6.439) 7.952 25.316 ( 1.303 0.000 -1.261) 1.813 25.722 ( -2.309 0.000 1.445) 2.724 25.728 ( 1.547 0.000 7.327) 7.489 26.087 ( 1.219 0.000 6.400) 6.516 26.107 ( -4.882 0.000 -1.970) 5.264 27.493 ( -10.212 0.000 7.316) 12.562 27.747 ( 1.400 0.000 7.579) 7.707 27.926 ( -3.010 0.000 -13.669) 13.997 28.271 ( 6.918 0.000 -15.318) 16.807 29.556 ( 0.916 0.000 2.691) 2.842 29.697 ( 4.421 0.000 -4.627) 6.399 30.510 ( -0.090 0.000 3.072) 3.073 30.621 ( 0.198 0.000 -2.821) 2.828 ======================= Grid point 135 (67/104) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 12.533 0.000 8.194) 14.974 1.961 ( -3.763 0.000 5.651) 6.790 2.135 ( -6.816 0.000 15.216) 16.673 2.237 ( 8.950 0.000 9.623) 13.142 2.424 ( -3.994 0.000 -5.211) 6.566 2.447 ( -6.292 0.000 0.114) 6.293 2.539 ( -14.779 0.000 1.278) 14.835 2.816 ( -5.603 0.000 -1.585) 5.823 3.015 ( -0.945 0.000 3.289) 3.422 3.113 ( -1.302 0.000 -6.659) 6.785 3.150 ( -1.859 0.000 -6.209) 6.481 3.221 ( -1.864 0.000 -1.845) 2.623 3.339 ( -10.177 0.000 15.502) 18.544 3.415 ( -3.419 0.000 7.774) 8.492 3.703 ( -3.099 0.000 5.328) 6.164 3.836 ( 0.014 0.000 -6.921) 6.921 3.975 ( -5.379 0.000 6.328) 8.306 4.069 ( -0.190 0.000 2.036) 2.045 4.173 ( 3.072 0.000 -0.079) 3.073 4.384 ( -4.910 0.000 12.620) 13.542 4.478 ( 5.226 0.000 -10.445) 11.679 4.849 ( -5.241 0.000 -4.473) 6.890 5.001 ( -7.377 0.000 5.336) 9.104 5.259 ( -3.082 0.000 -6.478) 7.174 5.564 ( 7.473 0.000 2.575) 7.904 5.609 ( 6.917 0.000 -5.378) 8.762 6.048 ( 1.415 0.000 -0.433) 1.479 6.123 ( -2.228 0.000 0.574) 2.301 6.202 ( 3.960 0.000 3.353) 5.189 6.474 ( 2.587 0.000 2.384) 3.517 6.545 ( -0.158 0.000 7.445) 7.447 6.700 ( -0.115 0.000 -4.185) 4.186 6.856 ( 9.774 0.000 -1.946) 9.966 6.894 ( 9.049 0.000 1.373) 9.152 7.560 ( 7.836 0.000 -6.679) 10.296 7.670 ( -6.385 0.000 -3.760) 7.410 7.798 ( -0.809 0.000 6.856) 6.904 7.801 ( -3.844 0.000 -5.284) 6.534 8.089 ( -4.221 0.000 -2.374) 4.843 8.162 ( -0.780 0.000 3.824) 3.903 8.198 ( 9.779 0.000 5.038) 11.000 8.590 ( 0.096 0.000 -7.178) 7.178 8.762 ( 0.358 0.000 -1.871) 1.905 8.818 ( -3.680 0.000 5.370) 6.510 8.901 ( -3.509 0.000 2.961) 4.591 9.127 ( 3.613 0.000 -11.290) 11.854 9.471 ( 0.958 0.000 7.224) 7.287 9.675 ( 1.713 0.000 -1.949) 2.595 10.376 ( -7.286 0.000 3.459) 8.065 10.497 ( 3.328 0.000 2.176) 3.976 10.984 ( -2.074 0.000 1.414) 2.510 11.131 ( 1.456 0.000 0.763) 1.644 11.196 ( 5.460 0.000 -2.227) 5.897 11.456 ( 10.185 0.000 -0.870) 10.222 11.855 ( -4.947 0.000 -1.357) 5.130 12.107 ( 4.423 0.000 0.051) 4.424 12.267 ( -14.288 0.000 6.779) 15.815 12.371 ( 0.447 0.000 -1.744) 1.801 12.581 ( -3.437 0.000 -7.442) 8.197 12.723 ( 0.442 0.000 -5.897) 5.914 12.799 ( -1.981 0.000 -0.294) 2.003 12.937 ( -2.110 0.000 -5.417) 5.813 13.607 ( -0.312 0.000 -7.169) 7.176 13.812 ( 3.725 0.000 -2.633) 4.562 14.061 ( 4.997 0.000 13.367) 14.271 14.353 ( -2.712 0.000 -5.250) 5.909 14.459 ( 3.040 0.000 15.001) 15.306 14.584 ( 3.289 0.000 2.907) 4.389 15.055 ( 5.363 0.000 -1.951) 5.707 15.085 ( -8.847 0.000 -10.948) 14.076 15.097 ( -1.072 0.000 -5.589) 5.691 15.542 ( -8.683 0.000 3.936) 9.533 15.768 ( 9.092 0.000 0.599) 9.112 16.345 ( -7.573 0.000 -6.036) 9.685 16.519 ( 2.237 0.000 3.986) 4.571 16.608 ( -5.492 0.000 -3.639) 6.588 16.687 ( -4.430 0.000 1.005) 4.542 16.858 ( 3.760 0.000 -5.233) 6.444 17.304 ( 3.357 0.000 9.386) 9.969 17.453 ( 3.821 0.000 -0.515) 3.855 24.689 ( 6.020 0.000 0.066) 6.020 24.701 ( 5.423 0.000 4.501) 7.048 25.003 ( -5.993 0.000 6.764) 9.037 25.311 ( -0.049 0.000 -4.975) 4.976 25.706 ( -0.382 0.000 2.334) 2.365 25.806 ( 1.418 0.000 7.132) 7.272 26.065 ( 1.607 0.000 2.716) 3.156 26.125 ( -1.006 0.000 7.242) 7.311 27.343 ( -7.668 0.000 4.036) 8.665 27.759 ( -6.996 0.000 -16.265) 17.706 27.806 ( 0.653 0.000 7.686) 7.713 28.256 ( 0.389 0.000 -12.493) 12.499 29.584 ( 0.251 0.000 3.256) 3.265 29.759 ( 4.264 0.000 -5.481) 6.944 30.535 ( 1.292 0.000 1.564) 2.029 30.614 ( 0.470 0.000 -2.447) 2.492 ======================= Grid point 136 (68/104) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -5.606 0.000 8.948) 10.559 1.935 ( -13.323 0.000 13.186) 18.745 2.253 ( -12.419 0.000 -0.390) 12.425 2.277 ( 8.371 0.000 6.458) 10.572 2.356 ( 1.970 0.000 -7.405) 7.662 2.424 ( 1.637 0.000 5.134) 5.389 2.476 ( 9.616 0.000 8.519) 12.847 2.724 ( -3.490 0.000 6.274) 7.180 2.954 ( -4.446 0.000 0.842) 4.525 2.978 ( -4.164 0.000 -9.951) 10.787 3.150 ( 3.889 0.000 -5.356) 6.619 3.194 ( -0.454 0.000 -3.072) 3.105 3.322 ( -1.201 0.000 16.129) 16.174 3.393 ( -2.923 0.000 6.446) 7.078 3.681 ( -2.252 0.000 4.667) 5.182 3.777 ( -5.048 0.000 3.012) 5.878 3.895 ( -4.281 0.000 3.102) 5.287 4.047 ( -2.428 0.000 1.766) 3.002 4.239 ( 4.184 0.000 -5.460) 6.879 4.401 ( -0.794 0.000 15.273) 15.294 4.487 ( 0.830 0.000 -12.449) 12.477 4.752 ( -1.844 0.000 -3.361) 3.833 4.925 ( -3.734 0.000 6.304) 7.327 5.233 ( 2.850 0.000 -5.422) 6.125 5.662 ( 1.377 0.000 2.557) 2.904 5.731 ( 7.498 0.000 -2.116) 7.791 6.075 ( 1.345 0.000 0.511) 1.439 6.089 ( -1.089 0.000 0.304) 1.131 6.317 ( 5.941 0.000 3.436) 6.863 6.468 ( -2.061 0.000 -4.192) 4.672 6.563 ( -2.297 0.000 7.404) 7.752 6.706 ( 0.732 0.000 0.993) 1.234 6.996 ( 0.683 0.000 -0.668) 0.955 7.032 ( 9.302 0.000 -4.523) 10.343 7.540 ( -5.521 0.000 -2.616) 6.110 7.595 ( -1.450 0.000 -5.731) 5.912 7.691 ( -9.975 0.000 -0.027) 9.975 7.765 ( 3.235 0.000 -3.983) 5.131 8.115 ( 4.528 0.000 9.576) 10.592 8.179 ( 0.950 0.000 2.422) 2.602 8.363 ( 5.002 0.000 -2.978) 5.821 8.542 ( -1.981 0.000 -5.304) 5.662 8.784 ( 1.838 0.000 2.629) 3.207 8.835 ( -3.613 0.000 1.947) 4.104 8.857 ( 4.876 0.000 3.677) 6.107 9.110 ( 0.232 0.000 -12.797) 12.799 9.470 ( -3.664 0.000 5.193) 6.356 9.704 ( 3.245 0.000 -2.763) 4.262 10.308 ( -1.950 0.000 5.054) 5.417 10.585 ( 5.685 0.000 -5.985) 8.254 10.930 ( -5.399 0.000 9.082) 10.565 11.154 ( -0.633 0.000 2.778) 2.849 11.327 ( 8.215 0.000 -0.722) 8.246 11.447 ( -6.364 0.000 -9.026) 11.044 11.853 ( 1.254 0.000 6.141) 6.268 12.034 ( -9.597 0.000 6.850) 11.791 12.200 ( 1.631 0.000 -4.473) 4.761 12.389 ( 3.831 0.000 -5.111) 6.388 12.600 ( 7.603 0.000 -3.002) 8.174 12.707 ( 0.874 0.000 -4.832) 4.910 12.768 ( -0.105 0.000 -0.204) 0.230 12.829 ( -3.989 0.000 -7.256) 8.280 13.624 ( 3.709 0.000 -0.711) 3.776 13.822 ( -0.986 0.000 -8.010) 8.070 14.245 ( 6.885 0.000 14.235) 15.813 14.353 ( 4.069 0.000 2.481) 4.766 14.503 ( -4.207 0.000 6.277) 7.556 14.592 ( -3.626 0.000 0.722) 3.697 14.898 ( -5.401 0.000 -9.183) 10.653 14.987 ( -3.430 0.000 -8.712) 9.363 15.215 ( 10.641 0.000 3.982) 11.362 15.419 ( -7.751 0.000 -0.887) 7.801 15.954 ( 9.411 0.000 3.392) 10.004 16.152 ( -9.227 0.000 -6.375) 11.215 16.529 ( -4.740 0.000 6.868) 8.345 16.543 ( -0.514 0.000 0.232) 0.564 16.636 ( 0.084 0.000 -0.596) 0.602 16.858 ( -0.089 0.000 -6.970) 6.971 17.372 ( -0.669 0.000 7.078) 7.110 17.517 ( 2.745 0.000 -0.404) 2.774 24.745 ( -4.153 0.000 2.893) 5.061 24.803 ( 5.115 0.000 0.872) 5.189 24.975 ( 0.468 0.000 7.825) 7.838 25.272 ( -0.900 0.000 -6.784) 6.844 25.729 ( 1.208 0.000 3.436) 3.642 25.808 ( -2.444 0.000 0.738) 2.553 26.114 ( -3.835 0.000 6.464) 7.516 26.226 ( 11.843 0.000 6.677) 13.595 27.278 ( -1.199 0.000 4.261) 4.426 27.524 ( -9.233 0.000 -13.642) 16.473 27.843 ( -0.835 0.000 7.739) 7.784 28.194 ( -0.724 0.000 -10.037) 10.063 29.591 ( -1.329 0.000 3.393) 3.644 29.790 ( 1.803 0.000 -5.135) 5.442 30.564 ( 1.303 0.000 -0.647) 1.455 30.616 ( 0.962 0.000 -2.261) 2.457 ======================= Grid point 137 (69/104) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -17.165 0.000 12.773) 21.396 1.770 ( -14.388 0.000 16.006) 21.522 2.150 ( -0.015 0.000 -1.776) 1.776 2.359 ( -1.708 0.000 3.881) 4.240 2.436 ( 7.477 0.000 0.921) 7.533 2.534 ( 6.618 0.000 6.026) 8.950 2.680 ( 8.572 0.000 6.236) 10.600 2.776 ( 2.814 0.000 10.479) 10.850 2.909 ( 1.351 0.000 -8.384) 8.492 2.947 ( 4.593 0.000 -2.797) 5.378 3.206 ( 2.503 0.000 1.240) 2.793 3.208 ( 3.367 0.000 -2.731) 4.335 3.385 ( 0.914 0.000 3.958) 4.062 3.397 ( 0.782 0.000 14.403) 14.425 3.659 ( -2.238 0.000 3.488) 4.144 3.697 ( -8.489 0.000 18.018) 19.918 3.846 ( -0.676 0.000 -6.448) 6.483 4.017 ( -1.800 0.000 3.109) 3.593 4.287 ( 4.071 0.000 -4.495) 6.064 4.371 ( -7.351 0.000 -7.625) 10.592 4.495 ( 3.434 0.000 11.858) 12.345 4.755 ( 3.822 0.000 -5.984) 7.101 4.923 ( -0.176 0.000 6.923) 6.925 5.286 ( 5.445 0.000 -6.016) 8.114 5.653 ( -2.595 0.000 0.302) 2.612 5.822 ( 3.231 0.000 -6.769) 7.501 6.078 ( -0.318 0.000 -1.027) 1.076 6.100 ( 0.474 0.000 1.734) 1.798 6.403 ( -1.067 0.000 -6.421) 6.509 6.435 ( 3.126 0.000 4.570) 5.537 6.538 ( -2.254 0.000 4.458) 4.995 6.694 ( -3.146 0.000 0.984) 3.296 6.913 ( -7.615 0.000 -2.902) 8.149 7.088 ( -0.076 0.000 -11.612) 11.612 7.408 ( -8.107 0.000 -0.227) 8.110 7.562 ( 1.187 0.000 0.506) 1.290 7.567 ( -2.524 0.000 3.329) 4.177 7.823 ( 3.508 0.000 1.469) 3.804 8.171 ( -3.800 0.000 -3.702) 5.305 8.277 ( 5.913 0.000 9.414) 11.117 8.372 ( 0.561 0.000 -6.800) 6.823 8.485 ( -1.125 0.000 -0.849) 1.409 8.787 ( -0.670 0.000 -4.095) 4.149 8.836 ( 1.845 0.000 3.616) 4.059 8.966 ( 3.372 0.000 0.967) 3.508 9.065 ( 2.115 0.000 -9.749) 9.976 9.412 ( -5.213 0.000 5.985) 7.937 9.775 ( 6.101 0.000 -5.121) 7.965 10.348 ( 3.092 0.000 5.924) 6.682 10.598 ( -1.277 0.000 -5.551) 5.696 10.914 ( -0.104 0.000 5.910) 5.911 11.109 ( -6.079 0.000 2.245) 6.480 11.272 ( -5.277 0.000 -9.113) 10.530 11.450 ( 2.853 0.000 3.744) 4.707 11.885 ( -0.961 0.000 7.588) 7.648 11.937 ( -5.589 0.000 1.240) 5.725 12.125 ( -3.392 0.000 -4.590) 5.707 12.474 ( 6.489 0.000 -2.084) 6.816 12.672 ( 0.816 0.000 -3.146) 3.250 12.722 ( 4.393 0.000 -6.724) 8.032 12.798 ( 2.840 0.000 -3.083) 4.191 12.922 ( 16.689 0.000 -1.577) 16.763 13.694 ( -6.611 0.000 -12.440) 14.087 13.707 ( 3.682 0.000 3.160) 4.852 14.290 ( -7.621 0.000 0.663) 7.649 14.411 ( -4.289 0.000 -2.086) 4.769 14.578 ( 5.991 0.000 7.265) 9.416 14.598 ( 12.467 0.000 11.452) 16.928 14.761 ( -6.562 0.000 -2.127) 6.898 14.920 ( -1.204 0.000 -4.259) 4.426 15.237 ( -8.217 0.000 -6.682) 10.591 15.429 ( 7.792 0.000 6.178) 9.944 15.963 ( -7.142 0.000 -6.419) 9.603 16.148 ( 9.559 0.000 3.951) 10.343 16.467 ( -2.883 0.000 4.639) 5.462 16.546 ( -2.155 0.000 2.571) 3.355 16.658 ( 0.700 0.000 3.244) 3.319 16.818 ( 0.378 0.000 -5.809) 5.821 17.347 ( -5.058 0.000 5.330) 7.348 17.536 ( -0.157 0.000 -2.283) 2.288 24.632 ( -7.656 0.000 2.611) 8.089 24.852 ( -0.739 0.000 -1.408) 1.590 25.047 ( 1.979 0.000 7.009) 7.283 25.225 ( -0.522 0.000 -4.313) 4.344 25.759 ( -2.383 0.000 -0.867) 2.536 25.777 ( 1.579 0.000 4.109) 4.402 26.055 ( -4.877 0.000 4.346) 6.533 26.471 ( 9.959 0.000 -5.983) 11.618 27.334 ( 3.646 0.000 7.184) 8.057 27.373 ( 1.037 0.000 0.083) 1.041 27.848 ( -2.877 0.000 8.144) 8.637 28.134 ( -0.650 0.000 -9.046) 9.069 29.571 ( -2.326 0.000 3.063) 3.846 29.777 ( -0.531 0.000 -4.851) 4.879 30.569 ( -0.236 0.000 -1.683) 1.699 30.625 ( 1.175 0.000 -2.464) 2.730 ======================= Grid point 138 (70/104) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -11.797 0.000 18.529) 21.965 1.643 ( -7.569 0.000 21.446) 22.742 2.122 ( -0.910 0.000 -6.510) 6.573 2.347 ( -2.710 0.000 13.040) 13.319 2.560 ( 4.302 0.000 -1.929) 4.715 2.693 ( 5.459 0.000 9.744) 11.168 2.855 ( 2.468 0.000 0.725) 2.572 2.861 ( 7.088 0.000 0.953) 7.152 2.939 ( 4.188 0.000 -3.034) 5.171 3.024 ( 4.362 0.000 -5.414) 6.952 3.204 ( -3.468 0.000 3.766) 5.120 3.273 ( 3.407 0.000 1.652) 3.786 3.496 ( 2.411 0.000 15.111) 15.302 3.529 ( 6.715 0.000 6.478) 9.330 3.642 ( -7.757 0.000 19.864) 21.325 3.656 ( 3.468 0.000 4.036) 5.321 3.797 ( -0.342 0.000 -8.614) 8.621 4.021 ( 0.551 0.000 4.429) 4.463 4.173 ( -9.518 0.000 -3.771) 10.238 4.352 ( 3.217 0.000 1.659) 3.619 4.607 ( 2.771 0.000 3.770) 4.678 4.821 ( 6.334 0.000 -5.506) 8.392 4.975 ( 1.843 0.000 6.813) 7.057 5.375 ( 7.874 0.000 -7.758) 11.054 5.579 ( -4.388 0.000 -3.495) 5.609 5.769 ( -3.294 0.000 -12.033) 12.476 6.058 ( -1.083 0.000 -1.457) 1.816 6.089 ( -2.446 0.000 0.834) 2.584 6.379 ( 0.735 0.000 -6.511) 6.552 6.410 ( -6.812 0.000 6.347) 9.311 6.558 ( 0.255 0.000 -0.841) 0.879 6.613 ( -4.219 0.000 0.706) 4.277 6.760 ( -5.405 0.000 -2.304) 5.876 6.955 ( -5.336 0.000 -13.848) 14.841 7.306 ( -1.432 0.000 2.851) 3.191 7.595 ( 1.732 0.000 6.869) 7.085 7.629 ( 2.784 0.000 2.999) 4.092 7.881 ( -1.293 0.000 1.100) 1.697 8.030 ( -3.885 0.000 -0.548) 3.923 8.291 ( -2.905 0.000 -3.177) 4.305 8.440 ( 3.861 0.000 0.928) 3.971 8.493 ( 1.587 0.000 -2.398) 2.876 8.809 ( 5.915 0.000 -8.086) 10.018 8.858 ( -2.875 0.000 3.193) 4.297 8.989 ( 1.715 0.000 -1.152) 2.066 9.089 ( 4.534 0.000 -5.303) 6.977 9.335 ( -6.776 0.000 8.079) 10.544 9.820 ( 0.757 0.000 -11.131) 11.157 10.473 ( 6.507 0.000 6.411) 9.135 10.544 ( -2.919 0.000 5.828) 6.519 10.943 ( 1.718 0.000 -4.348) 4.675 10.981 ( -5.636 0.000 -2.689) 6.244 11.178 ( -2.390 0.000 -3.573) 4.299 11.392 ( -10.271 0.000 1.070) 10.327 11.848 ( 0.287 0.000 0.057) 0.292 11.917 ( 0.568 0.000 7.395) 7.417 12.181 ( 6.967 0.000 6.217) 9.338 12.551 ( 0.027 0.000 2.307) 2.307 12.688 ( 4.000 0.000 -4.474) 6.001 12.793 ( 6.044 0.000 -8.995) 10.837 12.844 ( 3.263 0.000 -2.505) 4.114 13.205 ( 10.458 0.000 -11.514) 15.554 13.523 ( -1.720 0.000 -5.587) 5.846 13.760 ( 0.197 0.000 0.689) 0.717 14.160 ( -5.371 0.000 3.534) 6.430 14.289 ( -4.362 0.000 -4.583) 6.327 14.523 ( -13.681 0.000 -1.910) 13.814 14.738 ( 4.011 0.000 7.927) 8.884 14.855 ( -4.700 0.000 -4.488) 6.499 14.958 ( 11.474 0.000 7.732) 13.836 15.152 ( 4.455 0.000 -3.074) 5.413 15.545 ( 2.098 0.000 5.387) 5.782 15.856 ( 1.431 0.000 -5.162) 5.356 16.349 ( 9.696 0.000 3.754) 10.397 16.432 ( -10.062 0.000 -0.592) 10.080 16.513 ( 4.396 0.000 7.030) 8.291 16.677 ( -0.518 0.000 2.526) 2.579 16.836 ( 2.604 0.000 -1.755) 3.140 17.254 ( -7.089 0.000 5.044) 8.700 17.492 ( -2.426 0.000 -4.591) 5.193 24.525 ( -4.646 0.000 2.669) 5.358 24.757 ( -6.512 0.000 -4.859) 8.125 25.099 ( -0.071 0.000 6.445) 6.445 25.229 ( 1.556 0.000 1.475) 2.144 25.717 ( -1.635 0.000 -0.520) 1.715 25.807 ( -1.009 0.000 3.363) 3.511 26.004 ( -1.833 0.000 3.597) 4.037 26.436 ( -6.079 0.000 -12.442) 13.848 27.459 ( 4.524 0.000 9.900) 10.885 27.647 ( 23.613 0.000 2.647) 23.761 27.811 ( -5.592 0.000 8.272) 9.985 28.081 ( -0.343 0.000 -9.067) 9.073 29.544 ( -1.853 0.000 2.475) 3.092 29.725 ( -2.172 0.000 -4.772) 5.242 30.542 ( -1.828 0.000 -0.201) 1.839 30.632 ( 0.934 0.000 -2.824) 2.975 ======================= Grid point 139 (71/104) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -3.201 7.242 19.010) 20.593 1.753 ( 1.715 4.932 22.547) 23.144 2.114 ( 1.475 2.817 -8.258) 8.849 2.495 ( -5.123 8.194 -1.673) 9.807 2.568 ( -3.629 0.668 6.352) 7.346 2.818 ( 6.143 5.725 5.295) 9.927 2.843 ( -0.369 -2.543 -0.286) 2.585 2.953 ( 2.738 -3.160 -0.433) 4.203 2.989 ( -4.396 4.355 0.557) 6.212 3.104 ( -2.540 6.873 -7.907) 10.780 3.196 ( -2.416 0.103 0.856) 2.566 3.301 ( 0.918 -1.246 1.068) 1.881 3.478 ( -0.818 -4.893 5.263) 7.233 3.571 ( -6.515 -0.301 4.507) 7.928 3.702 ( -0.385 4.130 14.541) 15.121 3.811 ( 3.501 6.567 13.561) 15.468 3.867 ( 3.380 -3.098 -1.473) 4.815 4.057 ( -3.096 9.779 0.090) 10.258 4.241 ( 5.153 5.515 2.440) 7.932 4.399 ( 2.330 0.417 -3.597) 4.306 4.586 ( -2.811 2.173 7.404) 8.212 4.932 ( 2.203 -0.012 -0.985) 2.413 5.056 ( 5.212 -0.620 2.390) 5.768 5.342 ( -5.107 -7.525 -5.366) 10.559 5.495 ( 3.733 1.509 -7.432) 8.453 5.667 ( -2.794 2.497 -9.010) 9.758 5.980 ( -1.629 -5.697 1.688) 6.161 6.064 ( 2.112 -0.529 -2.056) 2.994 6.265 ( -6.666 -1.899 3.356) 7.701 6.345 ( -1.033 0.569 -2.512) 2.775 6.570 ( -1.554 3.770 1.611) 4.385 6.657 ( -0.114 4.222 0.840) 4.306 6.691 ( 1.445 2.698 -0.918) 3.195 6.886 ( -2.125 4.879 -10.651) 11.907 7.385 ( 7.427 -3.577 0.738) 8.276 7.427 ( -6.861 -7.027 0.571) 9.838 7.827 ( 2.290 6.839 4.496) 8.499 7.866 ( 1.671 1.539 1.912) 2.969 8.148 ( 5.556 5.211 6.189) 9.815 8.215 ( -3.911 0.473 -0.792) 4.018 8.420 ( -6.263 1.723 -4.125) 7.695 8.540 ( 6.082 0.090 -1.172) 6.195 8.769 ( -3.756 -2.252 -0.351) 4.393 8.822 ( 2.591 -2.367 -11.479) 12.003 9.069 ( -2.799 2.182 2.002) 4.075 9.148 ( 5.270 -0.221 2.336) 5.768 9.329 ( -0.104 3.456 0.608) 3.511 9.691 ( -5.121 -0.688 -10.650) 11.837 10.497 ( -3.567 -1.405 13.025) 13.578 10.640 ( -2.349 3.291 6.723) 7.845 10.884 ( 5.996 -5.160 -3.426) 8.621 10.970 ( 4.570 2.259 -9.031) 10.371 11.131 ( -1.210 -0.153 -1.768) 2.148 11.214 ( -4.775 -0.933 -2.863) 5.646 11.660 ( -0.869 -13.940 12.068) 18.458 12.032 ( 6.680 -1.901 -3.100) 7.605 12.352 ( -3.913 -1.050 4.261) 5.879 12.505 ( 2.762 -4.183 -4.184) 6.530 12.739 ( 4.415 0.013 -0.575) 4.453 12.771 ( -5.794 1.778 -3.203) 6.855 12.901 ( 6.690 -0.448 -3.434) 7.533 13.224 ( -5.922 7.946 -15.387) 18.303 13.509 ( 3.364 -6.654 2.217) 7.778 13.758 ( -2.552 0.231 -7.385) 7.817 14.149 ( -1.384 -0.121 9.546) 9.646 14.197 ( -2.614 -1.266 5.446) 6.172 14.321 ( -1.447 0.307 0.470) 1.552 14.638 ( -6.690 -2.211 -9.806) 12.074 14.818 ( 4.782 -3.672 8.616) 10.515 14.996 ( 4.066 -4.061 0.086) 5.747 15.269 ( 5.601 -4.166 3.807) 7.951 15.521 ( -10.048 1.972 -6.548) 12.154 16.073 ( 12.408 4.103 6.455) 14.576 16.296 ( -5.879 5.753 -4.944) 9.597 16.570 ( 4.807 2.103 3.932) 6.556 16.666 ( 0.940 3.490 -0.130) 3.617 16.723 ( 3.858 3.510 1.872) 5.541 16.827 ( -1.740 -1.792 -1.011) 2.695 17.167 ( -3.035 -0.196 4.823) 5.702 17.380 ( -1.908 -4.061 -4.861) 6.615 24.514 ( 0.572 1.318 2.987) 3.315 24.630 ( -3.601 0.193 -2.713) 4.512 25.109 ( -2.306 0.098 6.139) 6.558 25.262 ( 2.667 -1.446 2.517) 3.942 25.691 ( -1.312 -0.528 2.403) 2.788 25.776 ( -2.297 0.383 1.045) 2.552 25.995 ( 0.629 -3.165 4.879) 5.850 26.187 ( -5.053 -5.179 -3.826) 8.185 27.537 ( -3.791 -3.917 9.474) 10.930 27.655 ( 4.104 -4.920 4.189) 7.655 27.862 ( 7.786 -14.528 -1.711) 16.571 28.007 ( 0.322 -0.998 -8.866) 8.928 29.594 ( -2.967 2.719 0.402) 4.045 29.756 ( 4.199 4.775 -7.674) 9.966 30.638 ( -1.732 13.282 1.756) 13.509 30.796 ( 1.729 11.933 -4.952) 13.035 ======================= Grid point 140 (72/104) ======================= q-point: ( 0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 6.195 2.574 18.637) 19.807 1.937 ( 4.998 4.795 20.364) 21.510 2.126 ( 3.448 2.432 -8.426) 9.423 2.371 ( -5.978 7.574 -0.969) 9.698 2.471 ( -9.163 0.384 2.538) 9.515 2.713 ( -10.429 -1.567 -0.153) 10.547 2.816 ( -9.420 8.791 0.008) 12.885 2.975 ( 0.659 -3.627 -2.672) 4.553 3.002 ( 4.345 4.794 10.247) 12.119 3.049 ( -0.216 4.217 -4.559) 6.214 3.126 ( -4.665 -3.726 -3.842) 7.100 3.326 ( -1.159 -1.877 6.663) 7.019 3.399 ( -6.085 -0.765 -2.476) 6.614 3.535 ( -1.837 2.391 9.004) 9.495 3.726 ( -4.420 -0.881 5.726) 7.287 3.896 ( 2.253 -2.436 4.086) 5.263 3.938 ( 1.478 6.189 8.250) 10.419 4.056 ( 2.773 10.343 3.695) 11.328 4.316 ( 0.196 4.110 -4.941) 6.430 4.387 ( 1.030 0.554 -2.506) 2.765 4.594 ( -1.519 8.854 7.068) 11.431 4.927 ( -2.309 -2.175 -3.270) 4.556 5.101 ( -3.826 -0.895 4.645) 6.084 5.231 ( -2.448 -6.993 -6.554) 9.892 5.487 ( 2.323 -1.643 -7.803) 8.306 5.572 ( -2.680 4.963 -3.732) 6.763 5.988 ( 0.923 -4.406 1.066) 4.626 6.087 ( 0.307 -3.825 -2.113) 4.380 6.236 ( 1.098 4.038 2.483) 4.866 6.381 ( 4.308 0.317 2.789) 5.142 6.556 ( -1.323 3.059 4.698) 5.761 6.670 ( 3.525 1.914 -1.481) 4.276 6.764 ( 5.412 3.697 0.182) 6.557 6.865 ( 4.238 7.015 -6.315) 10.346 7.316 ( -0.657 -11.112 -0.837) 11.163 7.580 ( 8.362 -5.633 0.853) 10.118 7.815 ( -3.304 3.386 0.053) 4.731 7.966 ( 4.089 4.590 2.367) 6.587 8.146 ( -4.703 3.205 4.929) 7.529 8.217 ( 0.811 6.312 3.582) 7.303 8.231 ( -7.859 0.454 -6.853) 10.438 8.626 ( 2.633 2.781 -8.155) 9.010 8.744 ( 0.483 -2.805 -2.396) 3.720 8.785 ( -1.023 -4.829 -1.924) 5.298 8.982 ( -5.742 1.514 3.806) 7.053 9.216 ( 1.492 4.034 -5.216) 6.761 9.381 ( 3.928 1.047 4.859) 6.336 9.627 ( 2.166 -1.282 -3.830) 4.583 10.471 ( -3.279 0.117 9.136) 9.707 10.553 ( -8.085 3.071 4.164) 9.599 11.021 ( 4.643 4.740 -6.907) 9.578 11.081 ( 9.974 -5.973 -4.395) 12.429 11.105 ( -0.472 -0.935 0.532) 1.175 11.187 ( 5.353 -1.298 0.706) 5.554 11.696 ( -1.116 -15.075 8.663) 17.423 12.098 ( 1.833 -0.887 -8.548) 8.787 12.249 ( -5.299 -8.377 2.382) 10.195 12.501 ( -7.464 -0.945 2.405) 7.898 12.606 ( -5.328 -4.292 -6.403) 9.371 12.792 ( 1.247 1.155 0.552) 1.788 12.996 ( 1.881 7.500 -2.055) 8.000 13.049 ( -2.344 7.992 -10.680) 13.544 13.607 ( 3.664 -5.441 2.488) 7.016 13.693 ( 1.656 -3.258 -7.018) 7.913 14.029 ( -7.465 2.641 6.457) 10.218 14.273 ( 2.027 -3.140 13.170) 13.690 14.410 ( 2.014 -0.123 -2.224) 3.003 14.504 ( 0.397 -0.532 -2.853) 2.930 14.949 ( 4.680 -4.233 3.607) 7.269 15.001 ( -0.352 -4.438 -5.160) 6.815 15.262 ( -7.388 -2.559 -3.523) 8.575 15.511 ( 8.901 -1.376 5.799) 10.713 15.964 ( -12.930 10.219 -5.178) 17.275 16.417 ( 9.210 4.227 -0.058) 10.134 16.510 ( -5.957 -0.352 -2.160) 6.347 16.747 ( -3.121 -0.057 0.505) 3.162 16.760 ( -2.699 -0.531 -0.972) 2.918 16.807 ( 7.902 5.282 -1.716) 9.659 17.192 ( 2.246 0.156 7.584) 7.911 17.366 ( 2.607 -3.583 -2.745) 5.213 24.583 ( 4.599 0.932 3.617) 5.925 24.615 ( 2.847 0.755 -0.635) 3.013 25.073 ( -4.721 -0.021 5.805) 7.482 25.309 ( 1.552 -0.841 -0.813) 1.943 25.687 ( -1.222 -1.554 5.095) 5.465 25.757 ( -0.120 1.110 2.394) 2.642 26.016 ( -1.674 -5.146 4.503) 7.040 26.109 ( -1.500 -1.157 -0.204) 1.905 27.436 ( -8.736 -4.544 4.938) 11.016 27.739 ( 2.311 -0.758 6.452) 6.895 27.904 ( -2.852 -2.753 -8.872) 9.717 28.035 ( 7.157 -16.520 -8.089) 19.737 29.549 ( -1.932 1.534 2.097) 3.238 29.796 ( 3.878 3.424 -8.304) 9.783 30.612 ( -2.009 12.368 3.234) 12.941 30.812 ( 2.473 12.924 -5.433) 14.236 ======================= Grid point 141 (73/104) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 9.797 -1.216 14.774) 17.768 2.069 ( -7.748 -1.770 14.192) 16.266 2.082 ( -0.124 7.609 2.103) 7.895 2.303 ( -4.271 -0.946 -7.631) 8.796 2.347 ( 0.245 2.948 3.098) 4.284 2.521 ( -7.700 5.968 5.829) 11.353 2.689 ( -4.318 11.328 0.622) 12.139 2.946 ( -5.943 -0.771 -0.418) 6.007 2.977 ( -1.747 -4.335 -8.577) 9.768 3.022 ( -1.176 4.024 -2.937) 5.119 3.121 ( 1.871 0.592 4.678) 5.072 3.268 ( -5.515 0.376 6.768) 8.738 3.339 ( -1.630 4.071 0.759) 4.451 3.534 ( -5.027 4.878 8.052) 10.672 3.647 ( -2.126 -1.643 1.749) 3.206 3.944 ( 0.830 -0.831 -0.265) 1.204 3.997 ( 1.485 7.122 6.949) 10.060 4.113 ( -1.541 7.240 0.712) 7.437 4.231 ( -2.491 5.343 -0.286) 5.902 4.455 ( 1.573 5.125 5.098) 7.398 4.535 ( -3.865 4.751 -5.671) 8.347 4.832 ( -5.010 -1.758 -3.034) 6.115 5.009 ( -6.065 0.031 5.894) 8.457 5.186 ( 0.475 -4.338 -5.221) 6.805 5.529 ( 3.833 -4.814 -2.784) 6.754 5.582 ( 3.811 0.040 1.395) 4.059 6.009 ( 0.820 -4.299 0.829) 4.454 6.063 ( -1.724 -5.415 0.356) 5.694 6.267 ( 1.322 5.223 0.736) 5.438 6.471 ( 1.678 0.525 2.489) 3.048 6.575 ( 1.080 2.448 6.489) 7.019 6.739 ( 3.782 4.024 -3.405) 6.488 6.875 ( 4.274 1.522 3.305) 5.613 7.002 ( 13.204 8.160 -4.131) 16.062 7.389 ( 7.808 -12.339 -1.853) 14.719 7.655 ( -0.662 -3.681 -0.326) 3.754 7.701 ( -6.953 0.013 -3.407) 7.743 7.921 ( -9.041 -0.187 -3.337) 9.639 8.107 ( 0.797 4.250 -1.236) 4.497 8.146 ( -1.457 0.971 4.503) 4.832 8.314 ( 7.171 6.872 3.614) 10.569 8.557 ( -3.864 -2.778 -9.211) 10.368 8.731 ( 1.511 -3.020 -0.766) 3.463 8.787 ( 0.169 -0.018 2.562) 2.568 8.907 ( -4.583 -0.150 2.512) 5.228 9.231 ( 3.229 7.181 -8.413) 11.522 9.472 ( 1.874 0.381 6.568) 6.840 9.661 ( 2.092 -1.461 -1.599) 3.011 10.411 ( -7.572 3.187 4.468) 9.352 10.508 ( 3.214 1.021 1.843) 3.843 11.007 ( -3.630 1.904 0.806) 4.177 11.116 ( 1.146 -1.123 0.527) 1.689 11.186 ( 7.274 -0.410 -3.269) 7.986 11.408 ( 10.375 -4.238 0.314) 11.211 11.691 ( -3.016 -12.837 3.979) 13.774 12.023 ( -1.083 -5.932 -9.230) 11.025 12.240 ( 0.619 -7.654 1.639) 7.852 12.274 ( -11.852 -3.268 1.551) 12.392 12.552 ( -1.053 -0.881 -1.207) 1.828 12.790 ( -1.249 1.066 -2.024) 2.607 12.907 ( -1.268 11.030 -9.152) 14.389 13.058 ( -1.566 8.089 -0.339) 8.246 13.597 ( 0.556 -0.323 -4.540) 4.586 13.793 ( 6.529 -2.578 0.206) 7.023 14.037 ( 2.452 -2.361 10.097) 10.655 14.277 ( -2.625 -6.100 -1.692) 6.853 14.427 ( 0.759 -0.472 10.420) 10.458 14.589 ( 3.149 -0.321 1.282) 3.415 14.870 ( -7.660 -10.383 -10.081) 16.374 15.030 ( 5.301 -3.291 -1.855) 6.510 15.209 ( -0.483 1.848 -0.788) 2.066 15.572 ( -8.123 1.131 3.664) 8.982 15.849 ( 6.791 8.927 -2.500) 11.492 16.344 ( -7.849 0.370 -4.087) 8.857 16.544 ( 1.314 2.429 3.408) 4.387 16.656 ( -3.931 2.361 -4.172) 6.199 16.694 ( -2.959 0.994 0.449) 3.154 16.902 ( 3.542 3.954 -5.841) 7.893 17.292 ( 3.206 -1.082 8.056) 8.738 17.432 ( 4.473 -1.992 -0.351) 4.909 24.687 ( 5.524 0.127 1.424) 5.706 24.723 ( 6.193 1.511 3.356) 7.204 24.995 ( -6.272 -0.514 5.649) 8.457 25.304 ( -0.558 -0.903 -4.812) 4.928 25.695 ( -0.160 -1.041 4.251) 4.379 25.789 ( 0.483 -1.211 4.913) 5.083 26.009 ( 0.616 -4.798 3.752) 6.122 26.105 ( -1.219 -2.022 3.949) 4.601 27.314 ( -5.693 -1.993 3.254) 6.853 27.743 ( -6.374 -0.890 -9.601) 11.558 27.816 ( 0.844 0.173 3.395) 3.503 28.090 ( 2.547 -13.520 -6.164) 15.076 29.550 ( 0.386 -0.308 3.197) 3.235 29.810 ( 2.080 0.916 -8.451) 8.751 30.600 ( -1.201 10.819 4.129) 11.642 30.828 ( 2.395 13.222 -6.423) 14.893 ======================= Grid point 142 (74/104) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -13.777 -1.135 10.396) 17.296 2.053 ( -9.807 6.737 15.362) 19.430 2.174 ( 3.747 -2.257 6.374) 7.730 2.244 ( 1.658 -2.157 2.843) 3.935 2.311 ( 4.091 0.588 -4.021) 5.767 2.585 ( 4.464 8.533 4.884) 10.798 2.646 ( 0.271 15.093 -2.235) 15.260 2.818 ( -2.875 -2.156 -0.471) 3.625 2.962 ( 1.287 10.115 -4.054) 10.973 3.015 ( 1.269 -1.722 1.763) 2.772 3.116 ( -0.287 0.086 -3.804) 3.816 3.268 ( 0.697 4.506 -0.899) 4.647 3.297 ( -2.975 4.003 7.596) 9.087 3.457 ( -3.678 -0.214 1.830) 4.113 3.683 ( 0.538 4.614 10.225) 11.230 3.894 ( -5.785 4.445 0.970) 7.360 3.976 ( -6.848 7.818 6.822) 12.432 4.135 ( 3.158 6.671 1.586) 7.550 4.206 ( 1.302 -1.353 -5.800) 6.096 4.403 ( -5.167 0.351 4.191) 6.662 4.508 ( -0.342 3.190 -1.319) 3.469 4.757 ( -0.893 0.485 -3.128) 3.289 4.964 ( -2.728 2.594 7.247) 8.167 5.202 ( 3.964 -1.968 -4.866) 6.577 5.579 ( 0.583 -7.241 1.978) 7.528 5.672 ( 5.655 -4.385 -1.103) 7.240 6.022 ( -0.267 -5.045 1.464) 5.260 6.047 ( 0.074 -4.773 0.513) 4.801 6.314 ( 3.303 1.988 1.753) 4.235 6.462 ( -1.395 0.685 -1.793) 2.373 6.629 ( -0.237 4.146 6.212) 7.472 6.776 ( 1.308 5.646 -1.551) 6.000 6.934 ( -0.469 -2.129 3.427) 4.061 7.204 ( 8.644 9.980 -7.214) 15.046 7.514 ( 2.556 -5.428 -1.605) 6.210 7.561 ( -3.042 -1.690 -3.819) 5.166 7.608 ( -3.088 -3.530 -0.246) 4.697 7.714 ( -7.642 -4.490 -4.452) 9.919 8.158 ( 3.906 0.852 2.573) 4.754 8.180 ( 1.562 2.667 7.475) 8.089 8.382 ( -1.490 -0.683 -7.814) 7.984 8.468 ( -0.409 -3.551 -2.384) 4.296 8.775 ( -4.440 -0.508 3.265) 5.535 8.828 ( 7.135 -0.882 1.158) 7.282 8.891 ( 3.282 3.006 3.657) 5.760 9.199 ( -1.131 6.293 -12.369) 13.924 9.495 ( -2.590 2.115 5.454) 6.397 9.705 ( 4.174 -0.240 -2.231) 4.739 10.330 ( -3.357 2.131 5.230) 6.570 10.590 ( 5.029 0.493 -4.186) 6.562 10.932 ( -5.825 0.441 7.578) 9.568 11.136 ( -0.238 -1.413 1.680) 2.208 11.320 ( 7.817 -0.369 -1.597) 7.987 11.417 ( -6.293 -2.395 -7.133) 9.809 11.665 ( -2.384 -13.076 6.151) 14.646 11.992 ( -2.425 -5.998 -2.514) 6.941 12.176 ( 4.785 -1.805 -0.660) 5.156 12.294 ( 2.842 -7.441 -0.918) 8.018 12.540 ( 0.424 -1.784 0.279) 1.855 12.746 ( 0.311 2.922 -8.087) 8.605 12.907 ( 4.087 9.371 -2.492) 10.523 12.965 ( -5.060 9.032 -4.285) 11.204 13.640 ( 4.074 2.100 1.841) 4.940 13.875 ( 1.345 3.128 -6.157) 7.035 14.111 ( 3.236 -8.274 8.273) 12.140 14.310 ( 0.630 -11.723 4.897) 12.720 14.442 ( 0.033 2.861 4.630) 5.443 14.568 ( -4.428 -3.788 -2.866) 6.494 14.748 ( -2.011 -7.965 -1.372) 8.329 15.062 ( -2.539 -1.797 -9.234) 9.743 15.237 ( 6.626 2.737 4.681) 8.562 15.421 ( -7.383 1.778 -0.818) 7.638 16.020 ( 9.450 6.108 1.934) 11.417 16.175 ( -8.092 2.152 -4.689) 9.597 16.529 ( -6.255 0.571 6.699) 9.183 16.574 ( -0.314 1.854 0.031) 1.881 16.694 ( 1.551 4.208 -1.938) 4.885 16.897 ( 0.268 3.727 -8.177) 8.990 17.357 ( -0.599 -1.374 6.681) 6.847 17.501 ( 2.653 -1.617 -0.587) 3.162 24.755 ( -3.238 0.855 3.160) 4.605 24.823 ( 4.231 1.788 0.681) 4.644 24.958 ( 0.956 -1.507 7.222) 7.439 25.248 ( -2.155 -2.403 -6.814) 7.540 25.725 ( 1.140 -0.510 3.966) 4.158 25.788 ( -2.048 -1.644 1.534) 3.042 26.081 ( -3.338 -2.850 3.764) 5.782 26.111 ( 6.933 -9.010 6.227) 12.962 27.276 ( -0.358 0.341 4.660) 4.686 27.545 ( -7.770 1.837 -10.643) 13.305 27.854 ( -0.156 0.094 6.252) 6.255 28.083 ( 0.252 -9.178 -5.583) 10.746 29.582 ( 1.044 -0.120 2.986) 3.166 29.795 ( 0.848 -0.757 -8.166) 8.244 30.607 ( -0.238 9.840 4.063) 10.649 30.836 ( 1.960 12.792 -7.349) 14.882 ======================= Grid point 143 (75/104) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -13.452 0.480 15.709) 20.687 1.880 ( -14.509 8.761 14.249) 22.143 2.166 ( -0.367 2.294 -1.101) 2.571 2.391 ( 7.119 -5.927 4.639) 10.360 2.481 ( 10.930 4.747 1.143) 11.971 2.606 ( -2.049 11.985 5.430) 13.316 2.711 ( 5.926 6.439 -3.594) 9.460 2.807 ( 1.609 -2.286 -3.218) 4.263 2.984 ( 0.591 11.637 4.292) 12.417 3.095 ( 5.432 7.855 -4.563) 10.584 3.148 ( 5.804 -2.476 1.885) 6.585 3.273 ( 4.559 -2.015 -2.869) 5.751 3.324 ( -1.072 4.387 8.792) 9.884 3.427 ( -0.958 0.314 4.678) 4.785 3.711 ( -3.176 3.981 8.270) 9.712 3.805 ( -7.535 8.888 15.312) 19.242 3.865 ( -5.129 2.797 -1.949) 6.159 4.151 ( 0.898 -2.693 -1.011) 3.013 4.235 ( -0.064 10.116 -3.195) 10.608 4.370 ( 0.742 -1.834 -3.755) 4.244 4.505 ( -0.144 2.903 10.154) 10.562 4.762 ( 3.876 -0.483 -5.527) 6.768 4.959 ( -1.989 2.666 7.353) 8.070 5.273 ( 6.073 -1.009 -5.413) 8.198 5.560 ( -3.093 -8.152 1.077) 8.785 5.754 ( 3.697 -4.885 -5.099) 7.971 6.023 ( -0.391 -6.806 2.104) 7.135 6.054 ( 0.103 -2.991 -0.282) 3.005 6.381 ( 1.515 0.614 0.116) 1.639 6.451 ( 2.847 0.616 -1.921) 3.490 6.612 ( -4.408 5.405 4.976) 8.567 6.750 ( -3.685 4.341 -1.136) 5.806 6.873 ( -6.771 -1.741 0.322) 6.999 7.180 ( -4.285 4.697 -12.302) 13.848 7.399 ( -7.353 -0.311 -3.235) 8.039 7.559 ( -0.363 1.400 2.335) 2.747 7.597 ( 2.555 0.441 1.217) 2.864 7.738 ( 7.528 -6.154 3.100) 10.205 8.173 ( -4.911 -0.187 -4.766) 6.845 8.284 ( 3.161 0.010 7.416) 8.062 8.328 ( 3.331 -3.560 -1.484) 5.096 8.453 ( -0.235 -0.983 -3.893) 4.022 8.707 ( -2.531 -2.975 2.814) 4.814 8.934 ( 4.635 -0.053 -1.716) 4.943 9.002 ( 2.646 5.569 3.976) 7.336 9.105 ( -0.494 4.407 -13.112) 13.841 9.449 ( -4.490 2.878 4.213) 6.796 9.787 ( 5.555 0.428 -4.271) 7.020 10.340 ( 1.350 -0.107 6.286) 6.431 10.616 ( -0.017 1.377 -4.102) 4.327 10.895 ( -1.748 -1.105 6.449) 6.772 11.102 ( -4.940 -0.845 1.289) 5.175 11.241 ( -5.589 -2.178 -7.783) 9.827 11.434 ( 2.513 -1.685 2.167) 3.722 11.636 ( -3.507 -14.183 5.458) 15.597 11.930 ( -2.582 -1.091 -1.243) 3.066 12.258 ( 0.645 4.085 0.205) 4.140 12.371 ( 9.729 -9.472 -5.828) 14.776 12.598 ( 5.219 -4.585 -0.941) 7.010 12.714 ( -0.062 2.850 -6.591) 7.181 12.885 ( -0.052 7.687 -2.871) 8.206 13.057 ( 11.551 7.385 -0.949) 13.743 13.690 ( -2.804 1.838 -3.798) 5.066 13.808 ( -0.153 5.839 -4.257) 7.227 14.213 ( -6.049 -5.712 -2.350) 8.645 14.324 ( 12.377 -9.500 12.366) 19.909 14.395 ( -8.982 -7.702 -3.984) 12.485 14.570 ( 1.202 -7.010 2.393) 7.504 14.758 ( 2.209 -0.885 9.454) 9.748 14.947 ( -3.861 -0.936 -9.968) 10.730 15.240 ( -4.834 2.968 -0.807) 5.730 15.471 ( 9.094 2.936 5.002) 10.786 15.989 ( -8.893 2.474 -5.708) 10.853 16.206 ( 9.038 4.797 2.598) 10.557 16.444 ( -4.402 0.846 6.411) 7.823 16.625 ( 2.358 -1.132 5.067) 5.703 16.689 ( -0.758 7.092 -3.539) 7.962 16.860 ( 0.136 3.938 -6.142) 7.297 17.331 ( -4.989 -1.508 4.878) 7.138 17.513 ( -0.677 -2.226 -2.313) 3.281 24.644 ( -7.640 1.184 2.545) 8.139 24.865 ( -1.282 1.110 -1.491) 2.258 25.040 ( 2.467 -0.663 6.935) 7.391 25.183 ( -0.694 -3.801 -3.877) 5.473 25.745 ( -1.912 -1.169 0.445) 2.285 25.775 ( 1.186 -0.242 3.541) 3.743 26.024 ( -4.099 -2.742 2.607) 5.578 26.271 ( 6.339 -14.759 0.548) 16.072 27.332 ( 2.605 0.105 7.065) 7.531 27.415 ( -0.636 3.642 -2.313) 4.361 27.862 ( -2.345 -1.206 5.833) 6.402 28.057 ( 0.100 -5.382 -5.408) 7.630 29.611 ( 0.881 2.084 1.487) 2.707 29.766 ( 0.316 -0.796 -7.447) 7.496 30.628 ( 0.434 10.028 3.058) 10.493 30.827 ( 1.004 12.411 -7.472) 14.521 ======================= Grid point 144 (76/104) ======================= q-point: (-0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -7.833 5.835 18.652) 21.055 1.719 ( -9.641 7.781 18.179) 21.999 2.143 ( -0.370 2.069 -5.437) 5.829 2.537 ( 2.932 0.109 8.709) 9.190 2.557 ( -1.860 8.176 3.650) 9.144 2.672 ( 7.113 8.670 -2.291) 11.445 2.805 ( 5.301 -3.715 -3.262) 7.249 2.868 ( 5.719 -2.334 -0.218) 6.181 3.010 ( 0.127 6.469 2.244) 6.848 3.145 ( 2.827 7.777 -6.144) 10.307 3.218 ( 0.021 1.024 1.099) 1.502 3.309 ( -1.551 3.060 -0.259) 3.440 3.411 ( 2.452 -5.805 11.244) 12.889 3.554 ( 11.209 1.983 9.378) 14.749 3.675 ( -3.813 2.786 5.697) 7.400 3.725 ( -8.329 5.639 17.465) 20.154 3.823 ( 1.816 1.750 -3.516) 4.327 4.135 ( -4.348 -1.227 1.670) 4.817 4.195 ( -1.149 13.391 0.415) 13.447 4.368 ( 2.267 1.817 -4.322) 5.208 4.577 ( 0.758 -0.309 7.247) 7.293 4.861 ( 8.144 1.306 -4.868) 9.578 4.963 ( -0.279 -0.965 6.884) 6.957 5.369 ( 6.555 -1.249 -5.429) 8.603 5.488 ( -3.813 -6.547 -1.668) 7.758 5.745 ( -0.438 -1.848 -9.211) 9.404 6.016 ( -2.014 -6.651 2.111) 7.263 6.050 ( 0.338 -1.626 -1.178) 2.036 6.380 ( -1.618 0.325 -0.847) 1.854 6.429 ( -7.094 0.558 -1.472) 7.266 6.579 ( 0.278 2.030 1.144) 2.346 6.663 ( -3.281 4.753 1.070) 5.874 6.741 ( -5.240 1.117 -2.087) 5.750 7.023 ( -5.390 3.728 -12.237) 13.881 7.298 ( -0.604 -0.671 -1.091) 1.416 7.545 ( -4.077 -2.273 4.169) 6.258 7.700 ( 6.288 2.480 3.897) 7.803 7.894 ( 2.701 1.320 2.714) 4.050 8.027 ( -2.116 0.687 -0.186) 2.232 8.290 ( -2.622 0.595 -2.135) 3.433 8.438 ( 4.279 -0.693 1.083) 4.468 8.460 ( 2.642 -1.973 0.525) 3.339 8.746 ( 5.443 -4.357 -1.014) 7.045 8.907 ( -6.119 0.112 -5.193) 8.027 9.032 ( 4.071 6.503 -2.910) 8.206 9.101 ( 1.511 0.597 -2.035) 2.605 9.377 ( -4.976 3.233 3.247) 6.765 9.815 ( -0.246 -0.955 -9.927) 9.976 10.431 ( 3.672 -1.947 8.491) 9.454 10.605 ( 0.079 3.539 4.566) 5.777 10.892 ( -1.371 -3.041 -0.637) 3.396 10.989 ( -3.724 0.057 -4.384) 5.752 11.161 ( -1.007 -1.175 -4.075) 4.359 11.371 ( -9.017 -2.258 -1.072) 9.357 11.622 ( -1.413 -12.623 10.153) 16.261 11.929 ( 4.411 -0.575 -2.603) 5.154 12.306 ( 3.265 5.320 5.208) 8.129 12.498 ( 4.391 -8.306 -6.451) 11.397 12.651 ( 3.861 -2.423 -3.472) 5.730 12.760 ( 6.333 1.333 -1.508) 6.645 12.874 ( -0.519 3.522 -4.003) 5.357 13.271 ( 9.705 2.727 -4.931) 11.222 13.531 ( -6.351 2.302 -8.481) 10.843 13.817 ( -0.423 4.467 -2.043) 4.930 14.132 ( -2.352 -2.022 3.332) 4.553 14.225 ( -4.989 -5.791 -3.384) 8.359 14.479 ( -9.522 -5.474 1.451) 11.079 14.639 ( 11.657 -7.803 11.546) 18.169 14.804 ( -5.493 -5.213 -6.796) 10.175 14.864 ( 3.607 -2.048 3.841) 5.653 15.226 ( 1.227 2.930 -0.226) 3.185 15.668 ( 5.478 10.271 5.790) 13.001 15.813 ( -1.367 -3.121 -4.401) 5.566 16.379 ( 6.234 1.009 2.789) 6.904 16.436 ( -0.489 2.954 5.768) 6.499 16.631 ( 0.615 5.554 -2.190) 6.001 16.698 ( 0.469 3.873 2.668) 4.726 16.844 ( 0.186 1.083 -2.399) 2.639 17.240 ( -6.326 -1.405 3.848) 7.536 17.458 ( -3.149 -3.246 -4.249) 6.205 24.538 ( -4.533 1.264 2.507) 5.332 24.757 ( -6.940 -0.067 -4.504) 8.274 25.098 ( 0.147 -0.098 6.453) 6.455 25.201 ( 2.314 -2.493 1.928) 3.910 25.712 ( -1.603 -0.499 0.235) 1.695 25.802 ( -0.735 -0.478 2.806) 2.940 25.978 ( -1.558 -2.300 2.877) 3.999 26.293 ( -2.451 -11.706 -5.111) 13.006 27.463 ( 5.832 -4.119 10.029) 12.311 27.494 ( 7.831 -2.191 2.918) 8.639 27.828 ( -3.041 -4.449 3.261) 6.299 28.036 ( 0.375 -1.865 -5.699) 6.008 29.626 ( -0.079 3.512 0.008) 3.513 29.740 ( 1.130 1.794 -7.084) 7.395 30.646 ( -0.002 11.775 1.691) 11.895 30.804 ( 0.437 11.996 -6.130) 13.479 ======================= Grid point 145 (77/104) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -7.318 12.669 13.447) 19.871 1.924 ( 3.358 10.582 14.725) 18.441 2.203 ( 1.669 5.209 -5.046) 7.441 2.532 ( 1.461 0.557 -0.804) 1.758 2.609 ( -8.189 -3.628 -1.860) 9.147 2.793 ( -0.594 -0.962 -0.611) 1.285 2.805 ( 2.098 -8.370 0.299) 8.634 3.013 ( 3.485 3.536 1.115) 5.088 3.086 ( 0.400 5.091 -4.853) 7.044 3.213 ( -5.838 5.419 -0.343) 7.973 3.219 ( -5.283 1.886 -2.510) 6.146 3.363 ( 0.236 3.076 0.579) 3.139 3.389 ( -2.607 2.058 5.474) 6.403 3.547 ( -5.159 -3.432 1.404) 6.354 3.717 ( 0.126 -0.245 5.063) 5.070 3.857 ( 1.857 0.145 -2.139) 2.836 3.992 ( 5.733 9.688 14.696) 18.512 4.249 ( 0.909 9.042 7.767) 11.954 4.398 ( -1.186 7.789 3.299) 8.542 4.507 ( -0.569 8.620 -4.138) 9.579 4.687 ( 2.088 7.363 6.024) 9.739 4.904 ( -0.695 -1.293 0.411) 1.524 5.038 ( 5.167 -0.465 1.593) 5.427 5.199 ( -1.744 -5.592 0.552) 5.883 5.513 ( 1.671 -2.746 -0.315) 3.230 5.671 ( 0.769 -2.783 -7.949) 8.457 5.823 ( -1.262 -6.285 1.377) 6.557 5.959 ( -0.842 -8.256 -3.231) 8.906 6.280 ( -3.626 2.800 3.645) 5.854 6.357 ( -1.202 0.794 -0.844) 1.669 6.682 ( 2.170 5.903 0.974) 6.364 6.753 ( -2.022 4.931 -0.392) 5.344 6.827 ( 1.109 7.801 2.898) 8.395 6.985 ( -0.293 4.217 -9.008) 9.951 7.262 ( -9.357 -6.075 0.103) 11.157 7.332 ( 5.199 -3.261 -3.915) 7.279 7.858 ( 6.843 0.338 4.068) 7.968 7.964 ( -3.162 3.447 5.199) 6.993 8.238 ( -1.914 2.116 -2.442) 3.756 8.310 ( 7.389 8.363 5.113) 12.275 8.429 ( -2.358 -0.873 -1.888) 3.144 8.505 ( 5.461 -2.326 4.777) 7.619 8.677 ( -1.688 -5.773 -4.235) 7.356 8.802 ( 0.234 -0.666 -8.784) 8.813 9.065 ( -3.614 0.137 2.590) 4.448 9.255 ( 3.937 7.977 -0.716) 8.924 9.380 ( -0.771 0.561 -4.255) 4.360 9.644 ( -4.109 -3.897 -7.845) 9.675 10.477 ( -1.927 -0.513 10.808) 10.990 10.689 ( 5.645 -1.213 1.890) 6.076 10.766 ( -5.291 -2.109 2.242) 6.122 11.037 ( 6.262 2.149 -6.003) 8.937 11.133 ( -1.170 0.293 -2.045) 2.374 11.216 ( -3.315 0.931 -1.623) 3.806 11.409 ( -1.938 -7.301 7.990) 10.996 11.925 ( 3.195 -7.058 -10.639) 13.161 12.320 ( -0.506 -2.934 1.047) 3.156 12.390 ( 0.815 -2.756 -3.273) 4.356 12.657 ( 6.303 -7.147 -0.912) 9.573 12.751 ( -7.025 -6.616 -5.318) 11.019 13.002 ( 2.035 9.184 4.390) 10.380 13.270 ( -3.084 -0.572 -4.610) 5.576 13.511 ( 0.361 4.134 -3.556) 5.465 13.750 ( -4.125 -0.050 -10.171) 10.976 14.107 ( 0.508 -1.956 11.155) 11.337 14.194 ( -8.516 -2.470 7.416) 11.559 14.290 ( 7.747 -0.469 0.905) 7.814 14.584 ( -0.976 -4.835 -8.172) 9.545 14.766 ( 3.612 -0.046 5.219) 6.347 14.906 ( 5.478 -4.081 0.920) 6.893 15.221 ( -1.013 1.425 5.893) 6.147 15.537 ( -10.222 -1.198 -6.930) 12.407 16.221 ( 15.435 8.237 7.494) 19.032 16.375 ( -3.590 2.688 -0.503) 4.513 16.617 ( 2.952 1.609 5.696) 6.614 16.737 ( -6.332 3.043 -2.922) 7.608 16.791 ( -1.294 -1.215 0.093) 1.777 16.831 ( 5.437 5.869 -4.197) 9.035 17.143 ( 0.002 -2.434 0.636) 2.515 17.259 ( -2.828 -6.926 -3.764) 8.375 24.552 ( 0.417 2.187 2.380) 3.259 24.635 ( -2.955 0.105 -1.448) 3.292 25.114 ( -1.701 0.421 5.390) 5.667 25.222 ( 3.149 -2.218 2.754) 4.735 25.681 ( -1.772 -0.246 3.053) 3.539 25.776 ( -1.161 -0.899 1.654) 2.211 25.911 ( -0.932 -3.689 3.377) 5.087 26.061 ( 0.063 -5.908 -1.663) 6.138 27.413 ( -1.867 -5.282 5.295) 7.709 27.531 ( 2.310 -7.619 -1.256) 8.060 27.703 ( 1.510 -0.211 5.119) 5.342 27.951 ( -1.244 -4.094 -6.421) 7.716 29.655 ( -2.285 3.294 2.160) 4.554 29.802 ( 2.280 0.212 -4.045) 4.648 30.965 ( 0.333 14.295 -4.567) 15.011 31.044 ( 2.553 10.243 -6.046) 12.165 ======================= Grid point 146 (78/104) ======================= q-point: ( 0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -1.065 5.521 17.791) 18.659 2.092 ( 5.046 9.167 12.543) 16.335 2.203 ( -0.226 3.757 -6.212) 7.263 2.418 ( -9.323 -5.270 3.762) 11.351 2.512 ( -1.213 5.968 -8.083) 10.121 2.747 ( -4.019 0.981 1.781) 4.504 2.832 ( -0.266 -8.118 0.619) 8.146 2.999 ( -7.734 9.518 -1.848) 12.403 3.040 ( -7.182 1.827 5.446) 9.196 3.118 ( 0.592 1.933 -3.943) 4.431 3.184 ( 4.982 1.795 -0.239) 5.301 3.318 ( -5.668 -0.549 7.570) 9.473 3.381 ( 0.384 3.843 -1.976) 4.338 3.537 ( 0.812 -3.809 5.861) 7.037 3.709 ( -2.414 0.580 0.268) 2.497 3.855 ( -0.555 -0.822 0.095) 0.996 4.134 ( 2.031 10.634 11.060) 15.477 4.331 ( 3.175 12.928 7.391) 15.226 4.436 ( -3.518 5.168 -1.876) 6.528 4.452 ( 4.831 7.216 -0.509) 8.699 4.746 ( -0.926 4.750 3.891) 6.210 4.857 ( -4.423 -2.400 -0.246) 5.038 5.071 ( -1.989 -0.624 -0.206) 2.094 5.158 ( -1.818 -0.451 -3.178) 3.689 5.464 ( -1.817 -2.986 -3.854) 5.203 5.643 ( -3.216 2.373 -0.885) 4.093 5.833 ( 1.830 -9.793 -0.576) 9.979 5.932 ( -0.704 -8.811 -0.471) 8.851 6.323 ( 4.151 3.270 2.089) 5.682 6.402 ( 5.022 1.655 2.667) 5.923 6.659 ( -2.647 6.188 1.554) 6.907 6.785 ( 4.068 6.635 -1.101) 7.860 6.862 ( 3.033 5.189 1.458) 6.185 6.999 ( 3.522 3.856 -6.217) 8.120 7.123 ( -2.560 -4.371 2.190) 5.518 7.460 ( 8.000 -5.863 -1.963) 10.111 7.832 ( -9.305 -1.206 -1.465) 9.496 8.000 ( 2.735 -1.102 4.299) 5.213 8.212 ( -1.251 3.267 2.314) 4.195 8.284 ( -7.990 4.707 -2.386) 9.576 8.402 ( 0.870 9.771 1.894) 9.990 8.638 ( 0.543 -6.000 -2.062) 6.367 8.672 ( 5.910 -1.458 2.320) 6.515 8.706 ( -3.268 -1.829 -14.467) 14.944 8.995 ( -5.660 1.068 3.612) 6.799 9.335 ( 4.141 5.963 -3.537) 8.076 9.390 ( 2.957 -0.864 1.748) 3.542 9.585 ( 1.285 -2.309 -3.329) 4.250 10.486 ( -0.168 1.515 6.294) 6.476 10.631 ( -8.131 4.170 5.174) 10.501 10.917 ( 12.706 -8.042 -0.310) 15.041 11.103 ( -0.377 0.440 -1.762) 1.855 11.140 ( 8.609 2.124 -7.329) 11.504 11.163 ( -3.026 0.619 3.667) 4.795 11.416 ( -0.653 -8.034 4.769) 9.365 11.935 ( 3.726 -11.202 -9.521) 15.166 12.164 ( -11.245 -1.036 -3.867) 11.937 12.434 ( -8.072 -4.618 1.952) 9.502 12.504 ( -2.085 -5.255 -4.004) 6.928 12.804 ( 3.923 -2.728 0.895) 4.861 13.099 ( 4.024 3.178 4.539) 6.848 13.184 ( -2.458 4.572 -4.892) 7.132 13.557 ( 4.379 2.173 2.629) 5.550 13.657 ( -0.784 -0.036 -8.746) 8.781 14.047 ( -8.027 -1.140 5.719) 9.922 14.181 ( -0.474 -5.384 10.504) 11.813 14.418 ( 2.683 1.070 -0.853) 3.012 14.520 ( 1.753 0.873 -5.762) 6.086 14.840 ( 1.701 -5.260 2.416) 6.033 14.882 ( -4.783 -4.708 -5.834) 8.892 15.250 ( -2.516 1.494 2.753) 4.018 15.479 ( 5.618 -2.173 5.048) 7.859 16.203 ( -7.912 11.306 -5.778) 14.961 16.500 ( 1.633 2.321 -0.242) 2.848 16.546 ( -0.579 4.841 2.470) 5.465 16.708 ( -2.074 -2.098 -1.798) 3.455 16.758 ( -0.795 -0.726 1.907) 2.190 16.921 ( 5.783 3.967 -4.554) 8.362 17.188 ( 2.774 -0.592 2.431) 3.735 17.258 ( 4.930 -6.106 -1.565) 8.002 24.607 ( 3.391 1.193 2.332) 4.285 24.636 ( 3.525 0.987 0.785) 3.744 25.082 ( -4.194 1.125 4.106) 5.976 25.274 ( 1.359 -2.538 0.068) 2.880 25.666 ( -1.818 -0.342 4.960) 5.294 25.766 ( -0.766 -0.679 1.785) 2.058 25.906 ( -1.346 -3.963 3.502) 5.457 26.053 ( -0.033 -3.959 -1.564) 4.257 27.347 ( -5.010 -2.862 2.845) 6.433 27.636 ( 7.053 -11.752 0.895) 13.735 27.760 ( 1.155 -1.700 6.304) 6.631 27.871 ( -3.290 -3.210 -8.802) 9.930 29.617 ( -2.808 4.237 2.790) 5.798 29.811 ( 0.808 -0.876 -4.098) 4.268 30.930 ( -1.307 14.492 -3.201) 14.899 31.068 ( 2.879 9.996 -6.901) 12.484 ======================= Grid point 147 (79/104) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 5.309 -0.745 18.835) 19.583 2.062 ( -11.330 -0.992 5.966) 12.843 2.202 ( 0.056 4.536 6.020) 7.538 2.326 ( -3.918 1.900 -3.305) 5.466 2.476 ( 1.864 12.098 -4.503) 13.043 2.673 ( -4.323 0.061 4.076) 5.942 2.799 ( -2.956 -8.790 -0.957) 9.323 2.912 ( 0.241 10.496 1.551) 10.612 2.951 ( -2.853 7.308 5.025) 9.316 3.128 ( 1.354 4.332 -1.303) 4.722 3.248 ( -1.122 3.976 0.955) 4.241 3.319 ( 3.359 1.513 1.560) 4.001 3.363 ( -0.270 1.089 1.010) 1.510 3.565 ( -3.999 -0.538 2.370) 4.680 3.675 ( 2.343 2.301 0.420) 3.311 3.868 ( 1.284 -3.579 2.801) 4.722 4.198 ( 1.267 9.278 5.730) 10.978 4.321 ( -6.106 6.721 -2.451) 9.406 4.365 ( -5.068 9.822 4.150) 11.806 4.582 ( 5.966 6.225 1.757) 8.799 4.638 ( -9.544 5.120 -2.582) 11.134 4.780 ( -2.578 -2.295 2.430) 4.221 4.996 ( -4.580 0.308 2.429) 5.193 5.145 ( 2.208 -1.063 -4.340) 4.984 5.459 ( 2.091 -1.682 -3.720) 4.587 5.576 ( -3.733 0.163 3.684) 5.247 5.858 ( 1.512 -9.568 -0.128) 9.687 5.918 ( -1.500 -7.443 1.255) 7.696 6.374 ( 0.607 4.407 0.269) 4.457 6.503 ( 2.250 1.962 3.648) 4.714 6.654 ( 1.307 4.844 3.417) 6.070 6.863 ( 4.502 6.746 -2.912) 8.617 6.924 ( -0.026 4.022 1.367) 4.248 7.063 ( 9.947 -8.339 -4.006) 13.584 7.222 ( 9.147 2.018 2.254) 9.635 7.558 ( 2.404 -7.814 -2.076) 8.435 7.663 ( -6.490 -1.706 -2.280) 7.087 7.893 ( -11.621 -0.466 -2.198) 11.836 8.202 ( 0.171 4.519 2.060) 4.970 8.219 ( -2.139 4.588 -1.365) 5.243 8.433 ( 2.145 3.607 2.085) 4.686 8.502 ( -7.654 -1.644 -12.832) 15.032 8.670 ( 3.971 -3.211 -1.475) 5.316 8.781 ( 1.005 -2.545 4.849) 5.567 8.929 ( -1.247 4.496 2.434) 5.263 9.361 ( 2.231 4.501 -8.183) 9.602 9.484 ( 3.624 0.126 5.500) 6.587 9.613 ( 1.659 -2.824 -0.041) 3.275 10.500 ( -7.896 4.881 7.259) 11.784 10.544 ( 3.106 2.651 0.346) 4.097 11.022 ( -2.572 -1.420 0.891) 3.071 11.102 ( 0.208 -0.255 2.040) 2.066 11.197 ( 6.296 -1.023 -1.176) 6.486 11.313 ( 10.638 -2.247 -2.896) 11.252 11.434 ( 1.358 -8.208 0.032) 8.320 11.892 ( -5.576 -6.962 -14.848) 17.321 12.023 ( 1.165 -8.760 3.349) 9.450 12.205 ( -9.496 -5.095 1.937) 10.949 12.547 ( 0.793 0.682 2.156) 2.396 12.827 ( -0.375 0.575 -2.191) 2.296 13.080 ( -2.113 5.508 -2.831) 6.543 13.204 ( 0.242 5.307 1.016) 5.409 13.603 ( 1.701 -0.220 -1.942) 2.591 13.715 ( 7.318 -2.675 3.153) 8.405 13.970 ( -3.274 -3.160 6.004) 7.533 14.181 ( -2.190 -3.906 0.036) 4.478 14.419 ( -0.534 0.657 6.232) 6.289 14.586 ( 3.502 -0.814 -2.193) 4.211 14.688 ( -8.616 -5.404 -10.984) 14.969 14.891 ( 2.789 -8.737 -1.246) 9.255 15.255 ( 0.931 3.350 3.438) 4.890 15.552 ( -3.066 -2.771 5.738) 7.072 16.109 ( 2.458 13.591 -5.555) 14.887 16.371 ( -7.381 1.977 -1.441) 7.776 16.582 ( -3.699 0.494 2.622) 4.561 16.677 ( -0.361 0.448 -2.094) 2.171 16.751 ( 1.204 3.894 -0.529) 4.110 16.981 ( 3.452 2.140 -8.450) 9.375 17.264 ( 3.240 -1.194 5.021) 6.094 17.371 ( 5.749 -3.502 0.459) 6.748 24.696 ( 5.181 0.682 1.998) 5.594 24.748 ( 6.276 0.525 3.661) 7.285 25.000 ( -6.240 1.460 2.636) 6.930 25.261 ( -1.976 -3.369 -3.793) 5.444 25.670 ( -0.600 -0.868 6.394) 6.481 25.762 ( -1.060 -1.722 2.780) 3.438 25.906 ( 0.007 -3.540 2.947) 4.606 26.039 ( -0.981 -3.959 -0.734) 4.145 27.295 ( -1.899 0.820 3.462) 4.033 27.731 ( -4.296 -0.317 -4.297) 6.084 27.776 ( 5.311 -13.075 -3.024) 14.433 27.804 ( -0.317 -2.479 4.729) 5.349 29.592 ( -1.216 3.708 3.252) 5.079 29.794 ( -0.192 -1.511 -4.352) 4.611 30.898 ( -0.772 14.228 -1.638) 14.343 31.077 ( 2.128 9.208 -7.994) 12.378 ======================= Grid point 148 (80/104) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -12.490 2.295 11.495) 17.129 2.074 ( 5.364 -3.882 17.297) 18.521 2.209 ( -3.078 6.568 8.895) 11.477 2.278 ( 2.007 3.093 -5.400) 6.539 2.410 ( -4.126 5.426 -1.676) 7.020 2.690 ( 2.823 -0.293 -4.551) 5.364 2.807 ( 4.052 2.645 8.203) 9.524 2.969 ( 2.554 5.573 4.211) 7.437 2.996 ( 5.777 13.619 -0.778) 14.814 3.159 ( 2.537 3.900 0.049) 4.653 3.196 ( -2.616 8.676 -2.519) 9.405 3.339 ( -2.354 2.198 -6.226) 7.009 3.406 ( 2.492 -1.394 3.681) 4.659 3.463 ( -2.851 5.567 -1.655) 6.470 3.778 ( 3.463 2.941 7.358) 8.648 3.910 ( 2.949 -1.825 -1.694) 3.860 4.158 ( -10.176 0.529 2.436) 10.477 4.199 ( -10.741 3.744 -1.659) 11.495 4.275 ( 1.018 9.695 10.083) 14.024 4.478 ( -2.019 7.095 -4.575) 8.680 4.646 ( -2.052 8.244 6.865) 10.923 4.784 ( 0.743 1.758 -1.423) 2.381 4.958 ( -1.555 -2.908 5.034) 6.018 5.174 ( 2.918 -3.654 -3.949) 6.121 5.451 ( -2.721 -0.240 1.931) 3.346 5.585 ( 4.050 -3.796 -0.500) 5.573 5.880 ( -2.675 -7.401 1.388) 7.991 5.904 ( 2.619 -8.018 0.891) 8.482 6.386 ( 1.027 3.928 1.586) 4.359 6.511 ( -1.379 3.288 0.871) 3.670 6.718 ( 1.762 4.429 4.341) 6.447 6.889 ( -1.219 0.272 -0.445) 1.326 6.908 ( -1.633 4.046 -0.645) 4.411 7.234 ( 8.398 -11.406 -5.450) 15.177 7.378 ( 3.383 -1.260 -1.539) 3.924 7.537 ( -2.023 -9.623 -4.013) 10.620 7.602 ( 1.429 5.964 1.071) 6.225 7.681 ( -7.182 6.337 -1.915) 9.767 8.164 ( -1.036 -1.166 -0.037) 1.560 8.239 ( 0.093 0.858 2.740) 2.873 8.301 ( -5.583 -1.994 -6.429) 8.745 8.482 ( 2.322 2.663 -3.623) 5.061 8.726 ( -4.851 -3.915 2.629) 6.765 8.799 ( 6.412 -2.350 0.063) 6.829 9.001 ( 5.002 7.765 5.579) 10.791 9.330 ( -0.726 5.990 -10.713) 12.296 9.534 ( -1.163 0.782 3.951) 4.192 9.662 ( 4.239 -4.563 -0.141) 6.230 10.403 ( -5.395 4.713 6.317) 9.551 10.610 ( 3.122 1.391 -0.384) 3.440 10.950 ( -5.494 0.956 5.676) 7.957 11.111 ( -0.505 -0.656 0.898) 1.222 11.300 ( 4.589 -3.483 -2.611) 6.325 11.370 ( -3.200 -0.904 -3.624) 4.918 11.438 ( -1.064 -5.637 -1.299) 5.881 11.794 ( 3.872 -11.397 -11.691) 16.780 12.112 ( 5.036 -4.748 4.346) 8.173 12.153 ( 1.325 -4.274 2.640) 5.196 12.546 ( -0.739 1.886 2.306) 3.070 12.793 ( -0.326 0.095 -7.802) 7.809 13.077 ( 2.827 7.288 0.262) 7.821 13.151 ( -3.430 8.242 -3.008) 9.420 13.682 ( 4.930 -0.999 4.060) 6.464 13.842 ( 2.854 -7.459 0.039) 7.987 13.962 ( 0.348 -3.625 6.195) 7.186 14.155 ( 0.447 -1.641 -1.443) 2.230 14.419 ( -4.129 -2.888 3.241) 5.991 14.500 ( -5.142 -3.257 -8.965) 10.836 14.618 ( 1.203 -3.198 2.694) 4.351 14.910 ( -0.309 -10.278 -5.020) 11.443 15.316 ( 3.658 4.501 6.067) 8.393 15.479 ( -4.044 2.057 0.518) 4.567 16.182 ( 3.701 7.589 -0.927) 8.494 16.236 ( -5.036 3.403 -2.457) 6.556 16.534 ( -2.784 0.508 6.126) 6.748 16.624 ( -3.235 2.383 -1.040) 4.150 16.789 ( 2.554 4.926 -2.468) 6.073 16.979 ( 1.964 2.631 -10.627) 11.122 17.323 ( -0.558 -1.491 5.680) 5.899 17.447 ( 2.164 -3.350 -0.509) 4.020 24.779 ( -1.026 1.339 3.874) 4.225 24.870 ( 3.438 1.938 1.613) 4.264 24.922 ( 0.330 -1.165 4.209) 4.379 25.169 ( -4.853 -4.881 -5.888) 9.058 25.701 ( 0.298 -1.505 5.968) 6.162 25.751 ( -1.376 -1.828 2.722) 3.556 25.940 ( 1.667 -5.437 3.447) 6.650 26.008 ( -1.848 -3.794 -0.628) 4.266 27.311 ( 0.898 3.161 5.464) 6.376 27.593 ( -5.019 2.388 -7.972) 9.719 27.802 ( -2.584 -6.374 4.767) 8.368 27.879 ( 5.038 -7.638 -0.401) 9.159 29.605 ( 0.795 2.429 3.162) 4.066 29.769 ( 0.058 -1.244 -4.609) 4.775 30.889 ( 0.472 13.744 -0.796) 13.776 31.073 ( 1.947 8.678 -8.791) 12.506 ======================= Grid point 149 (81/104) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -7.816 6.799 14.127) 17.518 2.118 ( -9.493 12.344 14.604) 21.349 2.214 ( -1.181 -1.993 0.353) 2.344 2.297 ( 5.323 1.530 4.514) 7.145 2.505 ( 11.500 -0.860 -0.900) 11.568 2.701 ( 2.293 -3.838 -8.594) 9.688 2.898 ( -0.027 12.670 2.114) 12.846 3.018 ( 0.092 13.608 -2.257) 13.794 3.111 ( 4.470 2.298 8.332) 9.730 3.178 ( 1.475 -0.055 -3.246) 3.566 3.225 ( -0.395 3.319 -5.484) 6.422 3.271 ( 8.372 9.275 0.746) 12.517 3.437 ( -0.763 4.994 -2.385) 5.586 3.468 ( 2.420 1.930 3.338) 4.552 3.776 ( -4.507 2.262 4.377) 6.677 3.900 ( -8.282 -0.006 -3.595) 9.029 3.990 ( -8.717 -0.629 4.538) 9.848 4.100 ( 2.801 8.423 10.547) 13.785 4.372 ( 3.728 3.935 8.045) 9.701 4.534 ( 5.708 11.155 -3.023) 12.890 4.601 ( -2.730 5.141 7.067) 9.156 4.757 ( -1.475 1.976 -4.472) 5.107 4.961 ( -1.861 -3.659 5.787) 7.096 5.211 ( 2.416 -7.839 -2.087) 8.464 5.413 ( -1.809 -0.822 2.511) 3.202 5.679 ( 5.884 -1.754 -3.354) 6.997 5.830 ( -2.879 -10.275 1.576) 10.787 5.957 ( 2.113 -5.670 0.074) 6.051 6.427 ( 0.828 3.411 2.924) 4.568 6.497 ( 0.878 3.345 -1.760) 3.881 6.709 ( -5.808 3.584 2.215) 7.176 6.829 ( -5.895 -0.091 3.096) 6.659 6.850 ( -1.942 1.727 -1.195) 2.860 7.220 ( -3.435 -0.996 -13.355) 13.826 7.382 ( -4.187 -4.400 -1.668) 6.299 7.469 ( 0.854 -5.589 0.410) 5.669 7.610 ( 2.840 1.946 0.312) 3.456 7.763 ( 8.499 6.416 2.773) 11.004 8.113 ( -5.588 -4.406 -3.618) 7.983 8.235 ( 5.962 -5.397 3.037) 8.597 8.327 ( 2.295 4.158 4.706) 6.685 8.484 ( -0.007 3.860 -6.004) 7.137 8.634 ( -4.123 -4.226 2.300) 6.336 8.896 ( 2.886 -3.368 -1.643) 4.730 9.109 ( 2.586 5.713 4.732) 7.856 9.250 ( -0.843 8.045 -11.814) 14.318 9.502 ( -2.965 1.422 0.636) 3.349 9.743 ( 3.787 -5.467 -1.856) 6.905 10.370 ( -1.613 3.119 7.152) 7.968 10.643 ( 0.283 0.515 1.007) 1.166 10.898 ( -2.722 1.803 4.752) 5.766 11.077 ( -4.259 -1.263 0.825) 4.518 11.216 ( -5.028 0.580 -5.545) 7.508 11.359 ( 0.432 -5.575 -3.072) 6.380 11.422 ( -1.659 -4.916 4.940) 7.164 11.852 ( 6.104 -7.914 -8.974) 13.432 12.158 ( 2.754 -6.933 -3.777) 8.362 12.258 ( 5.493 -2.677 1.063) 6.203 12.595 ( 3.803 2.697 3.458) 5.805 12.742 ( -0.151 -0.497 -8.296) 8.312 13.082 ( -1.879 9.911 -1.273) 10.168 13.194 ( 7.583 5.881 0.003) 9.597 13.692 ( -4.745 -4.261 -4.541) 7.829 13.894 ( 4.648 0.382 1.634) 4.941 14.055 ( 3.546 -9.356 5.753) 11.541 14.144 ( -1.658 -0.769 -5.075) 5.394 14.333 ( -1.282 -0.362 3.097) 3.372 14.403 ( -4.111 -6.486 0.548) 7.698 14.676 ( 0.440 -5.558 7.257) 9.152 14.850 ( -1.044 -7.567 -7.452) 10.672 15.349 ( -2.607 6.083 1.288) 6.742 15.538 ( 9.383 2.591 4.180) 10.594 16.062 ( -9.356 4.304 -1.874) 10.468 16.294 ( 4.716 1.742 2.395) 5.569 16.509 ( -3.030 4.866 4.710) 7.419 16.613 ( 2.213 1.324 2.193) 3.385 16.812 ( 1.770 4.401 -4.087) 6.261 16.959 ( 0.837 3.948 -8.740) 9.627 17.289 ( -5.339 -2.053 3.931) 6.941 17.442 ( -2.154 -4.376 -1.782) 5.192 24.683 ( -7.424 2.503 2.280) 8.160 24.887 ( -3.744 0.455 -1.646) 4.115 25.017 ( 3.644 -1.641 6.501) 7.631 25.082 ( 0.334 -4.743 -1.785) 5.079 25.715 ( -1.345 -1.431 2.819) 3.436 25.758 ( 0.421 -1.569 4.176) 4.481 25.950 ( -2.144 -3.934 0.469) 4.505 26.012 ( 2.319 -7.594 2.022) 8.194 27.355 ( -0.085 2.199 5.627) 6.043 27.506 ( -0.146 4.398 -4.065) 5.990 27.755 ( -4.253 -7.003 3.027) 8.735 27.952 ( 3.177 -5.325 -1.424) 6.362 29.643 ( 1.426 1.666 2.551) 3.364 29.758 ( 1.304 -0.169 -4.547) 4.733 30.907 ( 2.054 13.435 -1.344) 13.657 31.064 ( 1.710 8.972 -8.656) 12.583 ======================= Grid point 150 (82/104) ======================= q-point: (-0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -0.871 11.168 14.528) 18.346 1.964 ( -12.486 14.476 12.435) 22.805 2.200 ( 0.670 2.350 -2.657) 3.610 2.448 ( 6.499 -1.934 4.743) 8.275 2.663 ( 3.343 -4.474 -5.759) 8.022 2.727 ( 6.760 -4.129 -5.074) 9.407 2.850 ( -5.112 5.532 2.622) 7.976 2.996 ( -0.720 12.111 -1.765) 12.260 3.113 ( -0.731 1.053 -6.358) 6.486 3.218 ( 2.496 -1.698 3.346) 4.507 3.281 ( 2.508 4.243 -1.538) 5.163 3.370 ( -0.516 7.543 0.950) 7.620 3.401 ( -1.782 5.177 -0.552) 5.503 3.602 ( 6.591 2.321 4.386) 8.250 3.720 ( -6.597 -3.285 0.816) 7.415 3.769 ( 1.139 3.063 8.366) 8.981 3.900 ( -2.841 3.276 6.319) 7.663 4.201 ( 0.698 9.043 10.185) 13.638 4.448 ( -2.643 9.052 1.841) 9.608 4.487 ( 0.532 6.284 1.573) 6.500 4.668 ( -0.972 10.232 0.020) 10.278 4.825 ( 11.312 -3.859 -0.149) 11.954 4.947 ( -1.673 -0.417 6.234) 6.468 5.225 ( -1.073 -10.409 1.304) 10.545 5.433 ( 3.838 -0.871 -0.368) 3.953 5.716 ( 0.293 -1.353 -7.146) 7.279 5.819 ( 0.388 -9.899 3.274) 10.433 5.976 ( 0.515 -5.130 -2.059) 5.551 6.397 ( -5.444 1.642 1.419) 5.861 6.448 ( -7.506 1.416 -2.751) 8.119 6.627 ( 0.918 2.615 1.359) 3.087 6.785 ( -0.077 4.872 3.421) 5.954 6.810 ( -2.726 4.535 0.697) 5.337 7.085 ( -3.654 2.631 -11.971) 12.790 7.293 ( -1.401 -0.096 -4.394) 4.613 7.442 ( -6.148 -7.471 1.164) 9.745 7.722 ( 6.640 0.803 1.679) 6.896 7.919 ( 4.461 -0.186 4.013) 6.003 8.088 ( 6.272 4.566 3.768) 8.625 8.353 ( -3.094 5.540 -2.075) 6.676 8.378 ( 6.316 -4.970 2.803) 8.512 8.437 ( -0.201 0.414 0.728) 0.861 8.649 ( 4.227 -4.520 0.087) 6.189 8.871 ( -3.850 -3.342 -2.815) 5.824 9.119 ( -1.728 2.416 -1.772) 3.459 9.218 ( 1.829 9.550 -5.363) 11.104 9.440 ( -3.118 1.797 -2.374) 4.311 9.747 ( -1.688 -5.911 -5.990) 8.583 10.414 ( 1.890 0.502 8.786) 9.001 10.644 ( -1.129 -0.852 4.175) 4.408 10.866 ( -4.512 1.227 2.709) 5.404 10.993 ( -0.800 0.370 -3.276) 3.393 11.156 ( -0.140 1.086 -4.181) 4.322 11.307 ( -3.901 -2.579 -4.054) 6.189 11.411 ( -2.981 -6.915 9.412) 12.053 11.902 ( 4.462 -2.902 -9.545) 10.929 12.246 ( 7.438 -11.342 -4.683) 14.349 12.346 ( 4.722 -1.784 0.323) 5.058 12.612 ( -0.857 -0.698 -3.588) 3.754 12.781 ( 4.658 -0.638 -0.376) 4.717 13.027 ( -3.974 9.481 -0.106) 10.281 13.303 ( 2.876 1.118 -2.418) 3.920 13.572 ( -3.517 -0.305 -7.737) 8.504 13.894 ( -4.443 0.707 -8.291) 9.433 14.051 ( -1.173 -2.816 5.409) 6.210 14.160 ( 4.946 -0.545 0.269) 4.983 14.315 ( -7.028 -7.106 6.841) 12.112 14.514 ( 11.495 -4.047 9.668) 15.556 14.667 ( -0.623 -5.587 -0.052) 5.622 14.833 ( 1.270 -3.558 -3.053) 4.858 15.291 ( -4.481 4.691 -0.341) 6.497 15.727 ( 0.764 -4.920 -1.489) 5.197 15.923 ( 3.120 12.211 5.133) 13.609 16.385 ( 2.022 -0.949 4.807) 5.300 16.519 ( 2.054 4.248 5.310) 7.103 16.690 ( 5.209 2.612 0.469) 5.846 16.818 ( 1.256 4.228 -5.267) 6.870 16.903 ( -4.315 4.407 -4.442) 7.600 17.191 ( -5.333 -3.152 1.235) 6.316 17.359 ( -5.031 -5.857 -2.929) 8.258 24.579 ( -4.358 2.527 2.013) 5.425 24.747 ( -7.356 -1.049 -3.092) 8.048 25.093 ( 0.927 -0.475 6.246) 6.332 25.141 ( 3.811 -2.645 2.744) 5.390 25.699 ( -1.499 -0.593 2.066) 2.620 25.781 ( -0.373 -1.805 3.355) 3.828 25.917 ( -1.386 -2.830 1.256) 3.392 26.055 ( 1.233 -8.651 0.328) 8.745 27.374 ( 0.921 -1.588 3.722) 4.151 27.528 ( 1.083 0.823 1.364) 1.926 27.691 ( -2.997 -4.780 2.310) 6.097 27.979 ( 0.962 -4.421 -3.705) 5.847 29.669 ( -0.126 1.933 1.994) 2.780 29.774 ( 2.593 0.729 -4.220) 5.007 30.947 ( 3.057 13.565 -3.191) 14.267 31.049 ( 0.963 9.902 -7.364) 12.378 ======================= Grid point 151 (83/104) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -9.803 14.670 7.690) 19.247 2.164 ( 2.951 11.218 8.309) 14.269 2.270 ( 2.380 -2.333 1.536) 3.670 2.393 ( -10.452 -11.301 5.969) 16.511 2.604 ( 3.428 0.994 -7.355) 8.175 2.631 ( 5.654 -4.457 -3.815) 8.148 2.791 ( -2.816 1.728 -2.802) 4.332 2.910 ( 0.327 -7.775 -5.683) 9.636 3.221 ( -2.687 4.471 -1.466) 5.419 3.258 ( -0.648 1.133 1.681) 2.129 3.343 ( -1.950 5.552 0.407) 5.899 3.391 ( -6.183 0.264 -0.210) 6.193 3.461 ( -8.342 -0.272 3.682) 9.122 3.478 ( -2.194 -1.063 -0.255) 2.451 3.747 ( 1.693 2.359 0.389) 2.929 3.810 ( 3.080 -3.342 -3.568) 5.779 4.226 ( 4.653 11.482 11.604) 16.974 4.388 ( -0.367 -1.251 8.364) 8.465 4.555 ( 0.694 7.888 7.330) 10.791 4.641 ( -1.154 2.659 1.338) 3.193 4.794 ( 1.408 4.275 5.391) 7.023 4.963 ( -2.118 -1.849 1.469) 3.172 5.081 ( 3.721 7.518 3.067) 8.931 5.125 ( 5.689 0.770 5.594) 8.016 5.348 ( -1.970 -6.831 0.215) 7.113 5.497 ( 2.133 -13.362 -7.632) 15.535 5.788 ( -1.522 1.193 -3.458) 3.962 5.828 ( -1.658 -2.996 -4.530) 5.678 6.342 ( -2.417 2.445 2.560) 4.287 6.370 ( -1.404 -0.122 0.758) 1.600 6.792 ( 3.843 4.481 3.312) 6.769 6.841 ( -2.527 1.402 2.974) 4.147 6.949 ( 2.695 4.052 0.381) 4.881 7.027 ( -3.883 -1.860 -3.728) 5.695 7.195 ( -2.417 1.661 -3.636) 4.671 7.268 ( 2.292 -3.324 -6.116) 7.328 7.893 ( 4.324 3.197 4.082) 6.751 7.970 ( -1.706 -2.769 4.807) 5.804 8.291 ( 5.208 2.974 0.683) 6.036 8.371 ( 4.508 -3.636 1.345) 5.946 8.438 ( -0.034 3.655 0.351) 3.672 8.547 ( -4.046 -4.032 -5.682) 8.056 8.572 ( 2.462 6.252 3.481) 7.568 8.730 ( 2.793 -6.124 0.212) 6.734 9.146 ( -3.994 7.173 -3.814) 9.053 9.313 ( -3.400 -6.810 -4.877) 9.040 9.424 ( 1.963 7.125 -2.960) 7.961 9.547 ( -0.970 -4.816 -3.486) 6.024 10.488 ( 0.746 1.970 4.550) 5.014 10.572 ( 3.408 -5.799 0.289) 6.733 10.858 ( -5.182 7.098 7.401) 11.489 11.010 ( 0.893 -5.538 3.872) 6.816 11.125 ( -1.641 -0.136 0.841) 1.849 11.155 ( -3.648 -3.069 2.754) 5.506 11.497 ( 3.651 11.172 -11.381) 16.361 11.740 ( 1.874 -10.565 -15.092) 18.517 12.289 ( 9.508 2.050 2.424) 10.024 12.380 ( 3.202 -2.288 1.080) 4.081 12.496 ( -4.285 -3.100 -4.184) 6.744 12.585 ( -12.189 -7.781 -5.177) 15.359 13.184 ( -0.299 7.032 3.488) 7.855 13.270 ( -1.084 -0.934 1.058) 1.780 13.607 ( 1.275 5.279 -3.462) 6.440 13.719 ( -1.867 -4.009 -6.400) 7.779 14.082 ( -3.080 -0.161 9.468) 9.958 14.113 ( -5.785 -3.211 7.768) 10.204 14.334 ( 6.036 4.069 -2.453) 7.682 14.451 ( 3.619 -6.557 -5.498) 9.292 14.788 ( 4.808 1.539 2.885) 5.814 14.831 ( 5.304 -2.741 1.630) 6.189 15.326 ( -4.636 6.967 2.844) 8.838 15.464 ( -7.756 -5.407 -2.435) 9.763 16.362 ( 11.158 4.453 7.527) 14.177 16.412 ( 2.176 -0.093 5.409) 5.831 16.669 ( 2.612 3.974 -0.114) 4.756 16.747 ( 0.610 -2.596 -2.636) 3.750 16.822 ( -9.950 5.062 -0.202) 11.165 16.923 ( 0.075 -0.179 -4.991) 4.995 17.067 ( 1.246 -1.994 -1.648) 2.871 17.126 ( -0.245 -4.949 -3.637) 6.146 24.599 ( -0.477 1.959 1.532) 2.533 24.629 ( -1.813 -0.808 0.201) 1.995 25.132 ( 0.140 1.416 4.120) 4.358 25.173 ( 2.264 -2.275 3.083) 4.451 25.686 ( -1.762 0.921 4.279) 4.718 25.727 ( -1.603 -2.853 4.892) 5.885 25.890 ( 0.259 1.501 -1.106) 1.882 25.952 ( 1.222 -4.190 -1.862) 4.746 27.356 ( -1.713 -0.147 2.140) 2.745 27.400 ( -1.384 -4.235 -0.328) 4.467 27.751 ( 0.844 3.837 1.528) 4.215 27.849 ( -0.635 -5.105 -2.930) 5.920 29.728 ( -1.107 3.275 2.639) 4.349 29.784 ( 0.193 -1.813 0.520) 1.895 31.178 ( 1.645 5.412 -6.810) 8.853 31.196 ( 2.474 3.512 -6.671) 7.935 ======================= Grid point 152 (84/104) ======================= q-point: ( 0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -8.023 9.917 12.674) 17.982 2.128 ( -12.614 -10.468 6.665) 17.695 2.293 ( 3.782 8.676 6.242) 11.338 2.384 ( 2.811 1.187 -0.540) 3.099 2.639 ( 3.105 0.499 -4.887) 5.812 2.677 ( -0.746 -5.176 -3.394) 6.235 2.735 ( -2.273 5.696 0.351) 6.143 2.954 ( 6.654 -11.256 -4.252) 13.750 3.149 ( -4.834 6.380 3.972) 8.936 3.195 ( -5.662 6.368 3.453) 9.194 3.287 ( -2.843 -0.770 3.680) 4.714 3.320 ( -2.725 4.969 -0.467) 5.687 3.404 ( 0.718 -4.632 5.803) 7.460 3.451 ( -0.742 -1.480 -0.852) 1.863 3.751 ( -0.640 2.937 -1.013) 3.172 3.818 ( -0.358 -2.782 -1.706) 3.283 4.341 ( 1.016 7.731 10.339) 12.950 4.439 ( -0.854 -1.291 8.085) 8.232 4.600 ( 0.714 5.743 -4.397) 7.268 4.635 ( 2.604 6.780 6.781) 9.937 4.788 ( -4.783 4.643 2.755) 7.213 4.900 ( -5.283 1.557 0.968) 5.592 5.095 ( -2.806 2.411 -0.167) 3.703 5.166 ( -2.634 -1.558 -1.776) 3.538 5.345 ( 3.449 -1.411 -0.171) 3.731 5.547 ( 4.863 -14.195 -4.010) 15.532 5.723 ( -3.410 3.148 -1.609) 4.912 5.799 ( -0.291 -4.061 -1.665) 4.399 6.385 ( 4.417 2.681 2.737) 5.847 6.423 ( 5.323 -0.370 2.201) 5.772 6.768 ( -4.462 3.630 2.475) 6.262 6.828 ( -1.952 -2.232 3.699) 4.741 6.983 ( 3.602 6.132 -2.003) 7.388 7.055 ( 5.228 1.124 -1.796) 5.641 7.150 ( 0.033 5.184 -2.787) 5.885 7.313 ( 3.797 -8.131 -3.792) 9.743 7.836 ( -9.263 2.872 -0.959) 9.746 7.932 ( -3.758 -4.842 1.857) 6.405 8.315 ( -0.046 6.555 -0.946) 6.623 8.402 ( -2.679 5.178 1.464) 6.011 8.489 ( 3.919 -6.305 -3.344) 8.142 8.559 ( 6.569 -4.830 2.018) 8.400 8.592 ( -2.817 4.545 3.225) 6.245 8.681 ( -6.558 -2.467 -8.297) 10.860 9.086 ( -0.874 7.762 -0.873) 7.859 9.276 ( 2.287 -8.357 -3.728) 9.433 9.469 ( 2.913 4.904 0.353) 5.715 9.542 ( 1.639 -2.153 -1.732) 3.213 10.547 ( 3.790 4.350 2.519) 6.296 10.656 ( 0.909 -4.341 3.133) 5.430 10.849 ( 3.018 4.682 5.905) 8.118 11.023 ( -3.832 -9.715 10.925) 15.113 11.131 ( 1.749 0.371 -2.856) 3.369 11.136 ( 3.396 -0.180 -2.815) 4.414 11.492 ( 2.370 9.689 -10.145) 14.227 11.705 ( 2.283 -10.257 -10.626) 14.944 12.177 ( -13.393 2.597 -5.508) 14.712 12.287 ( -14.613 -7.493 -4.162) 16.941 12.483 ( 8.194 3.736 4.656) 10.138 12.641 ( 8.262 -9.909 3.832) 13.458 13.200 ( -0.593 5.635 4.504) 7.238 13.261 ( -0.497 1.080 2.026) 2.349 13.619 ( 1.054 2.644 -2.103) 3.539 13.662 ( -0.798 -0.701 -6.320) 6.409 14.020 ( -6.489 -0.131 6.412) 9.123 14.068 ( -3.022 -4.434 8.853) 10.352 14.441 ( 5.637 1.568 -2.762) 6.470 14.496 ( 4.557 -2.974 -6.736) 8.659 14.788 ( -4.932 0.500 -1.756) 5.259 14.819 ( -4.936 -1.898 -3.919) 6.582 15.314 ( -0.611 4.248 5.072) 6.644 15.410 ( 1.910 -4.247 5.398) 7.129 16.410 ( -2.103 7.554 -2.747) 8.308 16.510 ( -1.209 -1.734 0.193) 2.122 16.663 ( -5.764 2.240 2.495) 6.668 16.696 ( -2.145 0.289 0.450) 2.211 16.750 ( 4.555 4.692 -1.009) 6.617 16.914 ( 3.286 -5.827 -4.595) 8.116 17.161 ( 6.940 -1.377 -1.622) 7.259 17.170 ( 5.663 -1.193 -0.394) 5.801 24.632 ( 2.759 1.072 1.879) 3.506 24.646 ( 3.120 -0.141 1.649) 3.532 25.128 ( -2.368 3.108 2.078) 4.425 25.204 ( -0.148 -3.788 0.796) 3.874 25.674 ( -1.922 1.189 5.120) 5.597 25.718 ( -1.828 -2.878 4.901) 5.971 25.889 ( 0.273 1.909 -1.140) 2.240 25.959 ( 0.601 -4.310 -2.345) 4.943 27.336 ( -0.892 1.879 2.517) 3.265 27.429 ( 3.258 -7.021 2.248) 8.060 27.764 ( -0.267 1.247 1.727) 2.147 27.807 ( -2.071 -2.657 -3.347) 4.749 29.708 ( -2.275 4.005 2.722) 5.350 29.777 ( -1.128 -2.391 0.439) 2.680 31.160 ( 0.271 6.586 -6.445) 9.219 31.204 ( 1.823 2.387 -7.218) 7.818 ======================= Grid point 153 (85/104) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -0.253 2.996 15.396) 15.687 1.986 ( -7.088 -4.980 10.185) 13.370 2.344 ( -0.112 7.533 3.290) 8.221 2.391 ( -1.147 3.194 -4.102) 5.324 2.568 ( -7.625 -3.725 -0.856) 8.530 2.612 ( -4.567 -7.960 4.872) 10.390 2.803 ( 8.211 14.414 1.252) 16.635 3.056 ( 4.453 -5.214 0.083) 6.857 3.112 ( -1.394 6.698 5.922) 9.048 3.190 ( 2.407 -0.346 5.661) 6.161 3.253 ( -0.545 3.910 -0.853) 4.039 3.306 ( 0.127 0.221 1.083) 1.112 3.456 ( 2.589 1.971 -1.486) 3.577 3.498 ( 4.570 -4.145 3.677) 7.182 3.729 ( 0.258 3.542 -2.726) 4.477 3.808 ( -0.048 -2.928 1.847) 3.463 4.314 ( -7.926 2.450 1.511) 8.432 4.352 ( -8.896 -1.087 3.389) 9.581 4.643 ( -2.195 10.195 -0.896) 10.467 4.705 ( 1.721 6.962 6.024) 9.366 4.725 ( 1.653 0.112 1.585) 2.292 4.798 ( -5.244 4.453 3.099) 7.545 4.985 ( -6.924 -1.120 -3.298) 7.751 5.094 ( -3.050 -6.034 -4.010) 7.861 5.434 ( 5.751 3.161 -0.108) 6.564 5.613 ( 1.966 -9.165 -0.523) 9.388 5.661 ( -1.408 3.523 0.502) 3.827 5.782 ( -1.417 -5.676 0.113) 5.852 6.460 ( 1.332 3.873 1.216) 4.273 6.520 ( 2.395 -1.056 2.780) 3.818 6.750 ( 1.298 3.962 4.270) 5.967 6.854 ( 3.940 -6.702 3.806) 8.656 7.036 ( -2.414 7.692 -5.524) 9.773 7.057 ( 1.558 6.392 -3.278) 7.351 7.232 ( 7.366 -2.008 -0.739) 7.671 7.326 ( -0.014 -11.508 -3.514) 12.033 7.715 ( -2.043 5.677 -0.141) 6.035 7.843 ( -3.996 -4.998 0.202) 6.402 8.309 ( -6.147 4.132 -5.288) 9.100 8.322 ( -2.586 5.221 0.643) 5.862 8.439 ( -7.694 -1.333 -8.062) 11.224 8.485 ( -3.284 -2.355 -3.180) 5.142 8.622 ( 5.696 -0.039 1.238) 5.829 8.678 ( 2.122 -5.020 2.719) 6.091 9.112 ( 3.198 11.280 2.800) 12.054 9.339 ( 5.017 -8.163 -0.161) 9.583 9.503 ( 0.299 3.084 -0.717) 3.180 9.563 ( 0.485 -2.108 -0.387) 2.197 10.603 ( -6.429 4.016 8.583) 11.451 10.615 ( 0.457 2.878 1.672) 3.360 10.972 ( 2.205 -1.690 2.825) 3.962 11.025 ( 0.503 -6.427 10.568) 12.379 11.170 ( 5.579 2.061 -6.927) 9.130 11.240 ( 9.415 -4.318 -7.744) 12.933 11.491 ( 1.530 8.884 -8.423) 12.337 11.697 ( -0.513 -10.198 -11.477) 15.362 11.960 ( -5.287 2.140 2.624) 6.278 12.068 ( -6.364 -6.940 2.101) 9.648 12.602 ( 1.885 4.930 3.843) 6.529 12.745 ( 1.118 -7.310 1.756) 7.600 13.205 ( -0.240 6.558 3.315) 7.352 13.285 ( 1.949 0.856 1.720) 2.736 13.579 ( -2.436 0.352 -3.303) 4.119 13.657 ( 0.248 -4.805 -0.018) 4.811 13.966 ( -1.702 3.541 5.384) 6.665 14.074 ( -0.035 -5.725 5.412) 7.879 14.477 ( -0.064 3.875 -3.707) 5.363 14.542 ( 1.891 -2.310 -7.292) 7.879 14.648 ( -5.792 0.390 -5.752) 8.172 14.718 ( -2.335 -6.463 -1.703) 7.080 15.350 ( 1.173 5.331 5.571) 7.799 15.465 ( -0.255 -5.110 6.388) 8.184 16.354 ( -1.539 7.733 -4.508) 9.082 16.410 ( -6.569 0.971 -0.948) 6.707 16.591 ( -3.213 1.583 2.240) 4.225 16.656 ( -1.496 -2.863 1.198) 3.446 16.853 ( 5.373 5.464 -3.778) 8.544 16.961 ( 4.083 -3.882 -8.321) 10.049 17.258 ( 4.177 0.873 2.259) 4.829 17.300 ( 5.672 -2.886 1.186) 6.474 24.716 ( 4.826 1.139 2.765) 5.678 24.741 ( 5.125 -1.029 3.589) 6.340 25.064 ( -4.906 4.287 -0.279) 6.521 25.167 ( -3.619 -5.073 -2.136) 6.588 25.670 ( -1.327 0.957 6.067) 6.284 25.710 ( -1.663 -2.617 5.018) 5.899 25.889 ( 0.385 1.585 -1.087) 1.960 25.952 ( -0.139 -3.909 -2.406) 4.593 27.359 ( 1.498 5.220 3.939) 6.709 27.518 ( 4.203 -9.910 3.245) 11.243 27.738 ( -2.722 0.837 -2.477) 3.774 27.766 ( -0.791 -1.710 0.464) 1.940 29.681 ( -1.872 4.118 2.798) 5.319 29.753 ( -1.401 -2.592 0.281) 2.960 31.133 ( 0.310 7.233 -5.988) 9.395 31.194 ( 1.256 1.472 -7.759) 7.997 ======================= Grid point 154 (86/104) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -5.549 2.738 11.912) 13.424 1.995 ( 1.878 -3.352 13.638) 14.169 2.349 ( 2.468 3.525 -5.805) 7.226 2.375 ( 1.306 6.545 3.118) 7.367 2.438 ( -5.587 0.304 4.133) 6.956 2.584 ( -0.837 -7.827 3.192) 8.494 2.994 ( 8.757 12.088 7.823) 16.853 3.123 ( -0.056 6.803 3.110) 7.480 3.147 ( 3.738 0.181 0.147) 3.745 3.222 ( -0.091 -0.385 1.483) 1.535 3.306 ( 2.105 -0.853 0.329) 2.295 3.327 ( 3.817 -3.226 1.990) 5.380 3.467 ( -1.396 9.731 -5.452) 11.241 3.554 ( 2.674 1.824 -3.735) 4.942 3.798 ( 5.996 0.150 0.556) 6.023 3.851 ( 4.232 -3.446 1.511) 5.663 4.149 ( -10.156 -0.686 3.559) 10.784 4.166 ( -9.881 -2.326 0.439) 10.161 4.560 ( -4.029 11.929 0.880) 12.622 4.680 ( -4.398 8.846 4.733) 10.954 4.769 ( -0.723 0.552 4.119) 4.218 4.809 ( 1.934 2.135 1.039) 3.062 4.847 ( -5.897 -4.263 0.213) 7.280 5.036 ( -1.167 -8.939 -1.852) 9.203 5.547 ( 3.089 2.158 1.649) 4.113 5.567 ( -1.277 6.657 -0.843) 6.830 5.714 ( 1.190 -6.952 0.847) 7.104 5.756 ( 1.515 -6.011 -0.895) 6.263 6.476 ( 0.416 4.503 3.221) 5.552 6.547 ( -0.055 -1.037 3.360) 3.517 6.824 ( 2.627 5.763 3.445) 7.210 6.913 ( -6.813 3.448 -1.939) 7.878 6.964 ( 1.238 -3.523 -0.303) 3.747 7.003 ( -0.917 -6.389 -5.325) 8.367 7.320 ( 3.289 -2.364 -2.408) 4.713 7.355 ( 3.316 -5.702 -3.007) 7.249 7.755 ( 4.843 6.342 1.450) 8.110 7.802 ( -2.164 2.874 -0.332) 3.613 8.116 ( -6.456 -1.588 -2.988) 7.289 8.155 ( -9.795 -4.519 -7.076) 12.901 8.393 ( 1.588 5.973 0.605) 6.210 8.497 ( 2.390 -2.740 -1.272) 3.852 8.674 ( -1.944 0.695 0.593) 2.148 8.731 ( 4.983 -3.572 -0.929) 6.201 9.210 ( 4.089 11.488 5.422) 13.345 9.437 ( 4.756 -2.725 -3.456) 6.480 9.474 ( -2.254 -1.444 0.944) 2.839 9.554 ( -0.284 -3.635 -1.359) 3.891 10.519 ( -5.845 5.852 7.858) 11.408 10.616 ( -2.197 -2.144 5.482) 6.283 10.981 ( -1.429 2.775 4.021) 5.090 11.068 ( -0.853 -4.443 3.881) 5.961 11.253 ( 6.767 2.795 -8.931) 11.548 11.350 ( 4.090 -3.662 -8.626) 10.225 11.432 ( -3.497 3.911 -5.263) 7.431 11.564 ( -2.685 -8.979 -10.327) 13.945 12.043 ( 7.804 -0.524 5.848) 9.766 12.080 ( 3.187 -3.110 4.198) 6.120 12.613 ( -0.343 4.518 1.517) 4.778 12.728 ( -1.272 -5.454 -3.056) 6.380 13.247 ( 3.122 8.323 2.714) 9.294 13.309 ( -0.793 5.263 -0.409) 5.338 13.568 ( 1.966 -5.676 2.185) 6.392 13.635 ( -1.352 -9.726 -0.419) 9.829 14.006 ( 2.003 5.212 5.393) 7.763 14.113 ( 1.448 -4.010 2.926) 5.170 14.415 ( -3.785 2.250 -4.107) 6.022 14.451 ( -4.286 -1.232 -9.038) 10.078 14.591 ( -0.536 0.901 -0.366) 1.110 14.697 ( -0.463 -8.635 -2.418) 8.979 15.414 ( 2.866 4.315 6.010) 7.934 15.482 ( 0.162 -1.769 3.801) 4.196 16.280 ( -6.662 2.356 0.221) 7.070 16.299 ( -3.068 1.068 -1.584) 3.614 16.587 ( 0.943 4.099 3.592) 5.531 16.647 ( -0.429 -0.770 0.887) 1.251 16.897 ( 2.581 4.864 -6.719) 8.687 16.979 ( 3.066 -2.445 -10.284) 11.006 17.314 ( -0.277 1.071 3.623) 3.788 17.368 ( 0.951 -3.662 0.901) 3.889 24.812 ( 1.708 1.802 4.717) 5.330 24.854 ( 4.070 -2.079 5.513) 7.161 24.962 ( -3.643 3.812 -2.165) 5.700 25.058 ( -5.718 -5.105 -3.889) 8.596 25.683 ( -0.690 0.130 6.184) 6.223 25.707 ( -1.223 -1.952 4.972) 5.479 25.894 ( 0.596 0.446 -0.871) 1.146 25.933 ( -0.458 -2.952 -2.230) 3.728 27.413 ( 1.320 6.431 4.854) 8.164 27.573 ( -0.377 -7.404 -0.134) 7.415 27.692 ( -0.999 1.579 0.416) 1.914 27.767 ( 1.621 -4.376 -0.627) 4.708 29.673 ( -0.337 3.493 2.808) 4.494 29.736 ( -0.410 -2.195 0.207) 2.242 31.118 ( 1.301 7.160 -5.584) 9.173 31.181 ( 1.715 1.234 -8.046) 8.318 ======================= Grid point 155 (87/104) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -1.842 8.186 10.348) 13.323 2.076 ( 2.088 -7.437 7.025) 10.441 2.377 ( -1.920 7.093 8.058) 10.905 2.404 ( -1.334 7.088 7.608) 10.483 2.476 ( 8.560 -0.775 -5.301) 10.098 2.599 ( 1.594 -6.242 -2.149) 6.791 3.063 ( -5.431 2.422 -2.632) 6.503 3.107 ( -5.372 -2.577 -4.498) 7.465 3.164 ( 3.276 7.206 5.609) 9.702 3.264 ( 2.074 -1.073 0.803) 2.469 3.330 ( -0.305 6.663 -3.715) 7.634 3.400 ( 4.489 -0.301 -0.044) 4.499 3.493 ( 7.275 5.637 1.082) 9.267 3.594 ( 5.380 3.820 -7.868) 10.269 3.798 ( -5.184 2.290 -5.638) 7.994 3.877 ( -6.903 -2.241 -1.209) 7.357 3.993 ( -4.181 5.161 9.890) 11.913 4.173 ( 7.317 -6.395 8.610) 12.983 4.541 ( -0.936 9.861 6.750) 11.987 4.651 ( -0.886 2.383 3.286) 4.155 4.735 ( -5.597 4.927 8.813) 11.544 4.801 ( 3.043 -0.737 -2.727) 4.152 4.858 ( 2.296 -1.540 5.955) 6.565 5.017 ( -1.506 -8.880 1.731) 9.171 5.474 ( -4.279 4.499 -1.993) 6.521 5.608 ( -2.277 -7.237 0.202) 7.589 5.724 ( 4.437 3.415 -2.599) 6.173 5.834 ( 4.274 -5.663 -1.039) 7.170 6.517 ( 0.801 4.475 3.833) 5.946 6.559 ( -0.353 1.346 -0.432) 1.457 6.757 ( -7.783 0.752 0.144) 7.820 6.781 ( -7.532 -2.173 1.494) 7.981 6.927 ( 2.197 5.061 1.278) 5.663 7.090 ( 3.965 -9.648 0.573) 10.446 7.321 ( -1.267 1.385 -6.989) 7.237 7.384 ( 1.389 -3.805 -4.608) 6.136 7.722 ( -1.874 6.742 -1.049) 7.076 7.827 ( 0.292 -1.757 -1.090) 2.088 8.058 ( 2.313 0.248 2.291) 3.265 8.118 ( 4.872 -4.830 2.426) 7.276 8.423 ( 1.352 4.419 1.456) 4.845 8.517 ( 0.769 -4.308 -1.124) 4.518 8.629 ( -2.579 7.163 -1.986) 7.868 8.787 ( 1.188 -6.728 -2.265) 7.198 9.276 ( -0.086 9.729 2.844) 10.137 9.414 ( -0.831 6.221 -3.271) 7.078 9.474 ( -0.430 -4.412 -4.195) 6.103 9.577 ( 2.414 -8.236 -0.447) 8.594 10.469 ( -3.636 5.967 7.419) 10.192 10.597 ( -3.054 -5.018 6.440) 8.717 10.968 ( -1.626 3.986 2.652) 5.056 11.039 ( -3.567 -2.591 1.855) 4.783 11.267 ( -5.834 2.179 -2.944) 6.888 11.310 ( 0.881 -0.017 -5.725) 5.792 11.371 ( 1.148 3.526 -2.393) 4.413 11.598 ( 9.556 -13.680 -11.127) 20.057 12.122 ( 0.927 1.944 -2.432) 3.249 12.188 ( 4.724 -3.625 -0.428) 5.970 12.660 ( 3.419 2.839 2.775) 5.239 12.710 ( 1.305 -2.028 -3.113) 3.938 13.265 ( -2.416 6.301 -1.512) 6.915 13.312 ( 1.428 3.921 -0.767) 4.243 13.571 ( 0.264 -2.038 -0.569) 2.132 13.718 ( 6.769 -11.867 2.469) 13.883 14.049 ( -0.319 3.864 4.363) 5.837 14.124 ( -1.551 -2.529 0.508) 3.010 14.349 ( -3.255 0.934 -3.249) 4.693 14.358 ( 0.806 1.292 -0.497) 1.602 14.588 ( -0.733 -0.971 2.482) 2.764 14.673 ( 0.641 -7.751 -2.744) 8.247 15.471 ( 0.040 5.065 1.668) 5.332 15.548 ( 5.007 -1.795 2.715) 5.972 16.164 ( -5.937 5.001 3.216) 8.403 16.262 ( -1.307 -3.835 5.083) 6.500 16.621 ( -0.016 4.497 1.778) 4.836 16.659 ( 2.438 1.175 0.186) 2.712 16.901 ( 1.878 4.337 -7.152) 8.573 16.980 ( 2.344 -2.108 -9.542) 10.049 17.273 ( -5.789 1.186 2.564) 6.441 17.341 ( -4.178 -4.632 0.148) 6.240 24.752 ( -7.092 4.041 1.634) 8.324 24.847 ( -7.214 -4.258 -0.036) 8.377 24.993 ( 4.491 0.339 3.299) 5.583 25.019 ( 3.080 -1.759 1.819) 3.986 25.696 ( -1.025 -0.108 4.810) 4.919 25.716 ( -0.689 -1.865 5.422) 5.775 25.898 ( 0.168 -0.395 -1.107) 1.187 25.921 ( 0.516 -2.358 -1.522) 2.854 27.426 ( -2.282 4.470 3.144) 5.922 27.531 ( -2.779 -4.082 -1.303) 5.107 27.691 ( 0.561 3.556 0.918) 3.715 27.818 ( 3.249 -6.888 -0.969) 7.677 29.693 ( 0.823 2.748 2.724) 3.956 29.742 ( 0.911 -1.574 0.302) 1.843 31.128 ( 2.655 6.685 -5.581) 9.104 31.181 ( 2.413 1.673 -7.804) 8.339 ======================= Grid point 156 (88/104) ======================= q-point: (-0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 4.081 10.889 8.680) 14.511 2.168 ( 5.214 -5.947 2.954) 8.443 2.287 ( -11.433 14.390 8.835) 20.392 2.458 ( 1.257 1.226 6.826) 7.048 2.574 ( 3.887 -4.054 -5.686) 7.992 2.603 ( 0.398 -6.147 -4.254) 7.486 2.902 ( -7.403 1.399 -5.304) 9.214 2.982 ( -4.405 -5.878 -5.947) 9.451 3.226 ( 1.424 3.226 3.216) 4.772 3.271 ( -1.161 3.350 -1.656) 3.913 3.331 ( 2.945 5.533 -3.764) 7.311 3.451 ( 1.117 -1.303 -2.012) 2.645 3.561 ( -3.380 4.113 -3.067) 6.144 3.629 ( -7.167 -2.373 -6.388) 9.890 3.691 ( 2.982 3.220 4.388) 6.206 3.759 ( 0.000 -2.411 -0.051) 2.411 4.070 ( 4.696 14.144 12.638) 19.540 4.339 ( 3.697 -4.951 6.761) 9.160 4.546 ( -2.736 4.855 8.053) 9.793 4.647 ( -2.255 1.430 4.663) 5.374 4.719 ( 2.001 6.115 6.136) 8.891 4.928 ( 8.989 6.406 0.534) 11.051 4.971 ( 5.685 1.784 7.306) 9.428 4.994 ( -2.165 -10.932 6.096) 12.703 5.392 ( -2.882 0.361 -2.620) 3.911 5.542 ( -2.686 -10.992 -3.876) 11.961 5.791 ( 2.960 3.310 -3.139) 5.437 5.871 ( 0.570 -4.202 -3.682) 5.616 6.445 ( -7.286 2.252 -0.234) 7.630 6.470 ( -8.336 0.083 -1.830) 8.535 6.700 ( 2.795 4.317 4.246) 6.669 6.788 ( 3.005 -2.973 5.438) 6.888 6.953 ( -0.744 7.541 1.386) 7.703 7.107 ( -1.545 -4.210 -3.399) 5.627 7.253 ( -1.787 0.211 -4.819) 5.144 7.323 ( -3.339 -3.662 -7.880) 9.309 7.775 ( 5.599 4.404 1.658) 7.314 7.876 ( 5.442 -3.915 4.590) 8.125 8.160 ( 5.952 2.828 3.279) 7.361 8.253 ( 6.404 -5.860 4.030) 9.570 8.470 ( 2.560 4.121 1.598) 5.108 8.539 ( -3.711 6.852 1.042) 7.861 8.563 ( 3.186 -1.329 -3.883) 5.195 8.745 ( -3.754 -8.305 -2.474) 9.444 9.238 ( -3.251 8.233 -3.051) 9.362 9.389 ( -2.788 0.036 2.058) 3.465 9.433 ( 0.449 3.079 -9.740) 10.225 9.587 ( -0.782 -7.993 -2.354) 8.370 10.459 ( -0.892 3.871 6.096) 7.276 10.567 ( -2.758 -5.458 4.242) 7.442 10.932 ( -5.100 3.945 4.543) 7.887 10.989 ( -0.799 -1.122 1.062) 1.739 11.171 ( -3.541 0.704 -0.429) 3.636 11.233 ( -5.800 -4.886 2.752) 8.067 11.446 ( 6.861 10.587 -8.452) 15.186 11.723 ( 8.454 -13.318 -13.694) 20.890 12.148 ( 4.790 2.204 -2.249) 5.733 12.253 ( 5.076 -6.067 -2.298) 8.238 12.647 ( -4.881 3.739 -2.474) 6.628 12.736 ( -1.349 -3.655 -0.232) 3.903 13.205 ( -3.066 6.378 -0.169) 7.079 13.294 ( -1.085 -2.385 -2.724) 3.780 13.598 ( 1.849 5.335 -2.435) 6.149 13.781 ( -0.609 -9.712 -3.785) 10.441 14.067 ( -0.137 2.511 6.798) 7.248 14.123 ( 0.859 -2.545 4.068) 4.875 14.296 ( -1.523 4.206 0.299) 4.483 14.413 ( 2.762 -5.842 -0.103) 6.463 14.629 ( 6.044 2.093 3.918) 7.500 14.721 ( 4.599 -5.767 0.347) 7.384 15.431 ( -4.667 7.797 -1.253) 9.173 15.596 ( -2.496 -7.300 -1.408) 7.842 16.155 ( 3.903 9.265 8.390) 13.094 16.313 ( 2.904 -5.617 8.948) 10.957 16.631 ( 1.223 5.840 0.277) 5.973 16.716 ( 3.230 -1.299 -0.897) 3.595 16.901 ( 1.637 4.155 -6.279) 7.705 16.967 ( -0.103 -0.237 -7.232) 7.237 17.141 ( -7.898 0.440 0.362) 7.918 17.226 ( -7.199 -6.071 -0.901) 9.460 24.642 ( -4.789 3.257 1.093) 5.894 24.708 ( -6.281 -2.686 -0.712) 6.868 25.085 ( 2.542 0.039 5.030) 5.636 25.099 ( 3.560 -1.306 3.629) 5.249 25.695 ( -1.365 0.475 4.061) 4.311 25.727 ( -1.044 -2.539 5.234) 5.910 25.892 ( 0.043 0.597 -1.277) 1.410 25.935 ( 1.349 -3.447 -1.235) 3.902 27.384 ( -2.596 2.239 1.272) 3.656 27.462 ( -3.946 -4.820 -0.550) 6.253 27.720 ( 1.634 5.411 1.012) 5.742 27.855 ( 1.361 -6.670 -2.016) 7.099 29.721 ( 0.448 2.643 2.628) 3.754 29.766 ( 1.250 -1.393 0.459) 1.927 31.157 ( 3.384 5.829 -6.106) 9.094 31.189 ( 2.262 2.793 -7.215) 8.060 ======================= Grid point 175 (89/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 2.530 0.000 -14.085) 14.311 1.804 ( -2.530 0.000 14.085) 14.311 2.213 ( -3.515 0.000 -18.898) 19.223 2.213 ( 3.515 0.000 18.898) 19.223 2.689 ( -2.236 0.000 -11.198) 11.419 2.689 ( 2.236 0.000 11.198) 11.419 2.911 ( -6.142 0.000 1.511) 6.325 2.911 ( 6.142 0.000 -1.511) 6.325 2.980 ( 1.477 0.000 -1.113) 1.849 2.980 ( -1.477 0.000 1.113) 1.849 3.258 ( 0.209 0.000 -4.771) 4.776 3.258 ( -0.209 0.000 4.771) 4.776 3.611 ( 2.243 0.000 -3.846) 4.452 3.611 ( -2.243 0.000 3.846) 4.452 3.889 ( 3.947 0.000 -4.570) 6.038 3.889 ( -3.947 0.000 4.570) 6.038 3.919 ( -5.631 0.000 -6.370) 8.502 3.919 ( 5.631 0.000 6.370) 8.502 4.289 ( -7.003 0.000 -7.288) 10.107 4.289 ( 7.003 0.000 7.288) 10.107 4.741 ( 6.465 0.000 -11.264) 12.988 4.741 ( -6.465 0.000 11.264) 12.988 5.317 ( -4.210 0.000 -11.710) 12.444 5.317 ( 4.210 0.000 11.710) 12.444 5.359 ( 4.727 0.000 -2.642) 5.415 5.359 ( -4.727 0.000 2.642) 5.415 6.042 ( -1.603 0.000 -0.182) 1.613 6.042 ( 1.603 0.000 0.182) 1.613 6.311 ( -4.540 0.000 -0.054) 4.540 6.311 ( 4.540 0.000 0.054) 4.540 6.623 ( 2.225 0.000 -5.040) 5.509 6.623 ( -2.225 0.000 5.040) 5.509 6.659 ( -0.586 0.000 -0.184) 0.614 6.659 ( 0.586 0.000 0.184) 0.614 7.496 ( -9.912 0.000 -3.953) 10.671 7.496 ( 9.912 0.000 3.953) 10.671 7.818 ( 0.300 0.000 -4.995) 5.004 7.818 ( -0.300 0.000 4.995) 5.004 8.215 ( -1.270 0.000 -3.300) 3.535 8.215 ( 1.270 0.000 3.300) 3.535 8.346 ( 9.684 0.000 -5.472) 11.123 8.346 ( -9.684 0.000 5.472) 11.123 8.816 ( -3.449 0.000 0.117) 3.451 8.816 ( 3.449 0.000 -0.117) 3.451 9.086 ( 2.145 0.000 -4.721) 5.186 9.086 ( -2.145 0.000 4.721) 5.186 9.472 ( 0.561 0.000 -11.071) 11.086 9.472 ( -0.561 0.000 11.071) 11.086 10.746 ( 8.438 0.000 -5.774) 10.224 10.746 ( -8.438 0.000 5.774) 10.224 10.785 ( 12.677 0.000 -8.157) 15.075 10.785 ( -12.677 0.000 8.157) 15.075 11.169 ( -2.418 0.000 -3.195) 4.007 11.169 ( 2.418 0.000 3.195) 4.007 12.010 ( -2.153 0.000 -1.784) 2.796 12.010 ( 2.153 0.000 1.784) 2.796 12.503 ( -7.827 0.000 -3.316) 8.500 12.503 ( 7.827 0.000 3.316) 8.500 12.695 ( 1.503 0.000 -0.599) 1.618 12.695 ( -1.503 0.000 0.599) 1.618 12.870 ( -4.277 0.000 -2.206) 4.813 12.870 ( 4.277 0.000 2.206) 4.813 13.666 ( -4.089 0.000 -2.456) 4.770 13.666 ( 4.089 0.000 2.456) 4.770 14.230 ( -10.074 0.000 2.900) 10.483 14.230 ( 10.074 0.000 -2.900) 10.483 14.456 ( -3.545 0.000 -12.373) 12.871 14.456 ( 3.545 0.000 12.373) 12.871 14.991 ( -3.271 0.000 -4.053) 5.209 14.991 ( 3.271 0.000 4.053) 5.209 15.397 ( -11.008 0.000 -5.010) 12.094 15.397 ( 11.008 0.000 5.010) 12.094 16.118 ( -17.595 0.000 -2.474) 17.768 16.118 ( 17.595 0.000 2.474) 17.768 16.599 ( -7.859 0.000 -1.346) 7.973 16.599 ( 7.859 0.000 1.346) 7.973 16.789 ( -3.513 0.000 -4.199) 5.474 16.789 ( 3.513 0.000 4.199) 5.474 17.304 ( 0.888 0.000 -6.757) 6.815 17.304 ( -0.888 0.000 6.757) 6.815 24.564 ( -1.682 0.000 -3.331) 3.732 24.564 ( 1.682 0.000 3.331) 3.732 25.230 ( 2.395 0.000 -5.503) 6.001 25.230 ( -2.395 0.000 5.503) 6.001 25.763 ( -2.542 0.000 -2.628) 3.656 25.763 ( 2.542 0.000 2.628) 3.656 26.132 ( -3.684 0.000 -5.587) 6.692 26.132 ( 3.684 0.000 5.587) 6.692 27.790 ( 0.718 0.000 -11.415) 11.437 27.790 ( -0.718 0.000 11.415) 11.437 27.893 ( 9.569 0.000 -9.497) 13.482 27.893 ( -9.569 0.000 9.497) 13.482 29.594 ( 0.317 0.000 -3.739) 3.752 29.594 ( -0.317 0.000 3.739) 3.752 30.569 ( 0.693 0.000 -3.184) 3.258 30.569 ( -0.693 0.000 3.184) 3.258 ======================= Grid point 177 (90/104) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 6.162 0.000 -14.692) 15.932 1.872 ( 4.248 0.000 5.798) 7.187 2.111 ( 1.651 0.000 -11.918) 12.032 2.380 ( 3.029 0.000 17.451) 17.712 2.532 ( -6.593 0.000 -7.484) 9.974 2.681 ( -8.586 0.000 10.331) 13.433 2.778 ( -8.521 0.000 1.855) 8.720 2.878 ( -3.895 0.000 -1.200) 4.076 2.989 ( -0.092 0.000 -2.939) 2.940 3.031 ( 0.801 0.000 -4.905) 4.970 3.226 ( 0.006 0.000 -0.836) 0.836 3.228 ( -5.177 0.000 3.322) 6.151 3.590 ( -2.729 0.000 6.116) 6.697 3.612 ( -2.938 0.000 0.179) 2.943 3.781 ( -7.338 0.000 -5.840) 9.378 3.789 ( -3.543 0.000 -4.436) 5.677 3.984 ( 8.368 0.000 -9.461) 12.631 4.078 ( 4.849 0.000 5.396) 7.255 4.113 ( -2.096 0.000 -5.081) 5.496 4.327 ( -3.890 0.000 -1.487) 4.164 4.657 ( -7.047 0.000 9.988) 12.224 4.769 ( 2.051 0.000 -9.356) 9.578 5.188 ( -2.893 0.000 -12.574) 12.903 5.253 ( -7.612 0.000 4.039) 8.618 5.468 ( 5.975 0.000 4.705) 7.606 5.500 ( 7.043 0.000 12.950) 14.741 6.036 ( 0.492 0.000 0.777) 0.919 6.095 ( 3.341 0.000 0.293) 3.353 6.272 ( -1.919 0.000 4.146) 4.569 6.435 ( 6.372 0.000 2.381) 6.802 6.603 ( 0.922 0.000 2.351) 2.525 6.608 ( 1.286 0.000 -5.254) 5.409 6.726 ( 4.584 0.000 1.079) 4.709 6.768 ( 7.482 0.000 5.182) 9.101 7.379 ( 0.539 0.000 -4.617) 4.648 7.679 ( 2.827 0.000 -1.681) 3.289 7.761 ( -2.482 0.000 -8.436) 8.794 7.839 ( 4.131 0.000 4.401) 6.036 8.091 ( -6.170 0.000 -5.142) 8.031 8.230 ( -0.041 0.000 2.734) 2.734 8.295 ( -1.974 0.000 12.514) 12.669 8.470 ( 3.603 0.000 -2.913) 4.634 8.764 ( -2.692 0.000 -0.748) 2.794 8.913 ( 6.457 0.000 -0.124) 6.458 8.997 ( -6.702 0.000 4.605) 8.132 9.006 ( -5.439 0.000 -5.240) 7.552 9.509 ( 6.135 0.000 -8.762) 10.696 9.578 ( 2.833 0.000 12.343) 12.664 10.575 ( -8.411 0.000 -1.577) 8.557 10.584 ( -9.009 0.000 2.084) 9.247 10.910 ( 8.333 0.000 2.044) 8.580 10.969 ( 8.375 0.000 -6.646) 10.691 11.147 ( 0.026 0.000 -0.090) 0.094 11.316 ( 10.766 0.000 7.143) 12.920 11.916 ( -5.742 0.000 -4.591) 7.351 12.029 ( 1.006 0.000 -3.046) 3.208 12.335 ( -5.973 0.000 -8.188) 10.135 12.587 ( -9.488 0.000 4.394) 10.456 12.621 ( 3.528 0.000 -3.364) 4.875 12.650 ( -5.251 0.000 3.455) 6.285 12.824 ( -1.394 0.000 0.231) 1.413 12.975 ( 1.336 0.000 8.418) 8.523 13.544 ( -5.092 0.000 -5.785) 7.707 13.739 ( 3.079 0.000 1.300) 3.342 14.161 ( 0.978 0.000 8.269) 8.326 14.289 ( -0.900 0.000 -8.374) 8.422 14.497 ( 9.622 0.000 0.849) 9.660 14.608 ( 4.314 0.000 13.889) 14.544 14.941 ( 0.599 0.000 -5.847) 5.878 15.052 ( 0.047 0.000 -1.822) 1.822 15.163 ( -10.696 0.000 -4.618) 11.650 15.605 ( 8.584 0.000 0.666) 8.610 15.785 ( -13.939 0.000 0.561) 13.950 16.401 ( 8.076 0.000 2.078) 8.338 16.430 ( -5.135 0.000 -4.321) 6.711 16.650 ( -6.079 0.000 -6.791) 9.114 16.720 ( 4.042 0.000 -1.767) 4.411 16.804 ( -3.262 0.000 1.992) 3.822 17.339 ( 5.037 0.000 -3.733) 6.269 17.369 ( 3.061 0.000 7.918) 8.490 24.573 ( 3.952 0.000 -2.174) 4.511 24.661 ( 5.916 0.000 4.796) 7.616 25.192 ( -4.339 0.000 4.820) 6.485 25.227 ( 0.445 0.000 -6.290) 6.306 25.727 ( -0.359 0.000 -0.764) 0.844 25.833 ( 2.814 0.000 1.806) 3.344 26.061 ( -1.009 0.000 -2.487) 2.684 26.232 ( 2.751 0.000 8.671) 9.097 27.617 ( -15.502 0.000 4.767) 16.219 27.671 ( -5.283 0.000 -11.940) 13.057 27.906 ( 1.100 0.000 8.624) 8.693 28.006 ( 6.571 0.000 -11.754) 13.466 29.609 ( 3.077 0.000 -4.095) 5.122 29.629 ( 1.326 0.000 4.618) 4.805 30.568 ( 0.723 0.000 -2.381) 2.488 30.572 ( -0.635 0.000 3.198) 3.260 ======================= Grid point 178 (91/104) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 7.642 0.000 -7.904) 10.994 2.010 ( 10.152 0.000 -2.682) 10.500 2.138 ( 2.775 0.000 -5.564) 6.217 2.380 ( -3.584 0.000 0.537) 3.624 2.472 ( -5.966 0.000 -0.639) 6.000 2.518 ( -11.650 0.000 7.539) 13.877 2.662 ( -3.274 0.000 13.482) 13.874 2.821 ( -1.989 0.000 0.717) 2.114 2.909 ( -6.781 0.000 -8.711) 11.039 2.972 ( 0.862 0.000 -8.230) 8.275 3.121 ( -6.934 0.000 4.536) 8.286 3.220 ( -3.863 0.000 -0.388) 3.882 3.479 ( -3.911 0.000 -1.717) 4.271 3.553 ( -3.632 0.000 2.483) 4.400 3.718 ( 1.619 0.000 -3.490) 3.847 3.745 ( -0.454 0.000 -0.246) 0.517 4.085 ( 1.510 0.000 -2.699) 3.093 4.088 ( 6.591 0.000 -7.857) 10.255 4.182 ( -0.767 0.000 9.620) 9.651 4.208 ( -4.137 0.000 -7.732) 8.769 4.616 ( -2.032 0.000 8.926) 9.154 4.724 ( -1.683 0.000 -8.530) 8.694 5.101 ( -0.174 0.000 -9.654) 9.655 5.144 ( -6.543 0.000 7.810) 10.189 5.603 ( 5.773 0.000 3.515) 6.759 5.661 ( 3.732 0.000 7.637) 8.500 6.057 ( 1.185 0.000 0.904) 1.490 6.123 ( -1.061 0.000 -0.562) 1.200 6.290 ( 2.441 0.000 5.357) 5.887 6.481 ( -2.485 0.000 -0.972) 2.669 6.634 ( 4.077 0.000 -4.133) 5.806 6.662 ( 1.960 0.000 4.389) 4.806 6.856 ( 8.140 0.000 2.052) 8.395 6.934 ( 6.186 0.000 3.684) 7.199 7.445 ( 6.902 0.000 -4.161) 8.060 7.600 ( -5.137 0.000 -3.045) 5.972 7.676 ( -1.300 0.000 -6.844) 6.966 7.854 ( -6.751 0.000 -0.750) 6.793 8.112 ( 7.410 0.000 3.001) 7.994 8.248 ( -0.343 0.000 5.360) 5.371 8.345 ( 0.393 0.000 10.231) 10.238 8.452 ( -1.693 0.000 -7.964) 8.142 8.734 ( 1.749 0.000 -0.267) 1.769 8.901 ( -3.191 0.000 -2.819) 4.258 8.939 ( -2.710 0.000 5.969) 6.555 8.991 ( 1.076 0.000 -2.415) 2.644 9.559 ( 3.792 0.000 -8.188) 9.023 9.630 ( -2.946 0.000 8.582) 9.073 10.466 ( -1.802 0.000 -5.008) 5.322 10.467 ( -5.261 0.000 6.185) 8.120 11.057 ( 5.725 0.000 -7.195) 9.194 11.084 ( 6.438 0.000 7.507) 9.889 11.160 ( 2.865 0.000 -1.097) 3.068 11.487 ( -1.198 0.000 1.268) 1.744 11.858 ( 4.504 0.000 3.335) 5.604 12.034 ( 1.962 0.000 -6.740) 7.019 12.227 ( -0.443 0.000 -9.857) 9.867 12.392 ( -12.121 0.000 5.782) 13.429 12.586 ( -3.143 0.000 5.369) 6.221 12.654 ( 0.993 0.000 -1.357) 1.682 12.790 ( -2.125 0.000 -0.563) 2.198 12.903 ( -10.203 0.000 0.561) 10.218 13.538 ( 5.318 0.000 2.053) 5.701 13.765 ( -0.941 0.000 -2.527) 2.696 14.286 ( 4.405 0.000 -1.057) 4.530 14.292 ( 6.700 0.000 9.544) 11.661 14.635 ( 2.298 0.000 2.150) 3.147 14.667 ( -5.349 0.000 3.316) 6.294 14.888 ( -3.142 0.000 -4.965) 5.876 14.923 ( -7.209 0.000 -11.392) 13.481 15.105 ( 6.944 0.000 5.405) 8.799 15.539 ( -7.532 0.000 -3.985) 8.521 15.841 ( 8.840 0.000 5.875) 10.614 16.235 ( -9.088 0.000 -5.023) 10.384 16.539 ( -1.489 0.000 -3.241) 3.567 16.578 ( 5.746 0.000 0.549) 5.773 16.719 ( -5.928 0.000 3.388) 6.828 16.750 ( 1.002 0.000 -5.601) 5.690 17.425 ( 5.060 0.000 -2.582) 5.680 17.456 ( 1.772 0.000 5.995) 6.251 24.674 ( 7.272 0.000 -1.575) 7.441 24.789 ( 3.928 0.000 4.298) 5.822 25.130 ( -4.291 0.000 5.780) 7.198 25.188 ( -1.061 0.000 -7.071) 7.150 25.740 ( 1.453 0.000 1.173) 1.867 25.842 ( -1.657 0.000 -1.971) 2.575 26.106 ( 6.109 0.000 -0.081) 6.109 26.291 ( -2.136 0.000 9.717) 9.949 27.392 ( -8.070 0.000 0.435) 8.082 27.499 ( -6.663 0.000 -10.283) 12.253 27.963 ( 0.453 0.000 8.363) 8.376 28.030 ( 2.365 0.000 -10.463) 10.727 29.652 ( 3.574 0.000 -5.071) 6.204 29.670 ( 0.153 0.000 5.360) 5.362 30.572 ( 0.679 0.000 -1.551) 1.693 30.576 ( -0.531 0.000 2.444) 2.501 ======================= Grid point 179 (92/104) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -9.256 0.000 -3.409) 9.864 2.044 ( 9.256 0.000 3.409) 9.864 2.228 ( -13.375 0.000 0.602) 13.388 2.228 ( 13.375 0.000 -0.602) 13.388 2.398 ( 3.395 0.000 -3.643) 4.979 2.398 ( -3.395 0.000 3.643) 4.979 2.747 ( -2.610 0.000 -13.260) 13.515 2.747 ( 2.610 0.000 13.260) 13.515 2.883 ( -3.979 0.000 -8.386) 9.282 2.883 ( 3.979 0.000 8.386) 9.282 3.114 ( -3.724 0.000 -3.601) 5.180 3.114 ( 3.724 0.000 3.601) 5.180 3.492 ( -3.074 0.000 -0.138) 3.077 3.492 ( 3.074 0.000 0.138) 3.077 3.738 ( 1.331 0.000 -1.952) 2.363 3.738 ( -1.331 0.000 1.952) 2.363 4.104 ( 2.726 0.000 -4.702) 5.436 4.104 ( -2.726 0.000 4.702) 5.436 4.176 ( 6.115 0.000 -17.579) 18.612 4.176 ( -6.115 0.000 17.579) 18.612 4.653 ( -1.023 0.000 -8.163) 8.226 4.653 ( 1.023 0.000 8.163) 8.226 5.090 ( 3.703 0.000 -8.934) 9.671 5.090 ( -3.703 0.000 8.934) 9.671 5.693 ( 2.556 0.000 -1.390) 2.910 5.693 ( -2.556 0.000 1.390) 2.910 6.086 ( -1.729 0.000 -0.423) 1.780 6.086 ( 1.729 0.000 0.423) 1.780 6.390 ( -4.930 0.000 -3.760) 6.200 6.390 ( 4.930 0.000 3.760) 6.200 6.681 ( 2.363 0.000 -4.347) 4.948 6.681 ( -2.363 0.000 4.347) 4.948 6.980 ( -2.847 0.000 0.062) 2.848 6.980 ( 2.847 0.000 -0.062) 2.848 7.523 ( 3.015 0.000 -1.277) 3.274 7.523 ( -3.015 0.000 1.277) 3.274 7.707 ( -7.177 0.000 1.847) 7.411 7.707 ( 7.177 0.000 -1.847) 7.411 8.236 ( 4.286 0.000 -1.752) 4.630 8.236 ( -4.286 0.000 1.752) 4.630 8.383 ( 0.202 0.000 -8.922) 8.925 8.383 ( -0.202 0.000 8.922) 8.925 8.829 ( -5.052 0.000 -1.960) 5.419 8.829 ( 5.052 0.000 1.960) 5.419 8.947 ( -1.177 0.000 -5.186) 5.318 8.947 ( 1.177 0.000 5.186) 5.318 9.591 ( 4.139 0.000 -6.955) 8.093 9.591 ( -4.139 0.000 6.955) 8.093 10.440 ( 2.009 0.000 -7.897) 8.149 10.440 ( -2.009 0.000 7.897) 8.149 11.114 ( 3.977 0.000 -7.717) 8.681 11.114 ( -3.977 0.000 7.717) 8.681 11.331 ( -11.155 0.000 -1.868) 11.310 11.331 ( 11.155 0.000 1.868) 11.310 12.003 ( -2.853 0.000 -8.353) 8.826 12.003 ( 2.853 0.000 8.353) 8.826 12.242 ( 6.988 0.000 -8.141) 10.729 12.242 ( -6.988 0.000 8.141) 10.729 12.618 ( -3.745 0.000 -3.556) 5.165 12.618 ( 3.745 0.000 3.556) 5.165 12.766 ( -1.249 0.000 -0.513) 1.350 12.766 ( 1.249 0.000 0.513) 1.350 13.676 ( -5.702 0.000 -5.820) 8.148 13.676 ( 5.702 0.000 5.820) 8.148 14.409 ( -3.800 0.000 -0.160) 3.803 14.409 ( 3.800 0.000 0.160) 3.803 14.563 ( -2.697 0.000 -3.173) 4.164 14.563 ( 2.697 0.000 3.173) 4.164 14.847 ( 1.810 0.000 -3.681) 4.102 14.847 ( -1.810 0.000 3.681) 4.102 15.334 ( -11.578 0.000 -6.694) 13.373 15.334 ( 11.578 0.000 6.694) 13.373 16.039 ( -9.359 0.000 -5.085) 10.651 16.039 ( 9.359 0.000 5.085) 10.651 16.570 ( -3.862 0.000 -1.819) 4.269 16.570 ( 3.862 0.000 1.819) 4.269 16.713 ( -1.024 0.000 -7.554) 7.623 16.713 ( 1.024 0.000 7.554) 7.623 17.479 ( 1.974 0.000 -3.682) 4.178 17.479 ( -1.974 0.000 3.682) 4.178 24.793 ( 5.036 0.000 -1.720) 5.322 24.793 ( -5.036 0.000 1.720) 5.322 25.129 ( -0.555 0.000 -7.732) 7.752 25.129 ( 0.555 0.000 7.732) 7.752 25.787 ( -2.499 0.000 -2.304) 3.399 25.787 ( 2.499 0.000 2.304) 3.399 26.233 ( 7.392 0.000 -4.561) 8.686 26.233 ( -7.392 0.000 4.561) 8.686 27.361 ( -2.899 0.000 -4.792) 5.600 27.361 ( 2.899 0.000 4.792) 5.600 28.006 ( 0.444 0.000 -9.015) 9.026 28.006 ( -0.444 0.000 9.015) 9.026 29.680 ( 2.026 0.000 -5.495) 5.857 29.680 ( -2.026 0.000 5.495) 5.857 30.576 ( 0.543 0.000 -1.605) 1.694 30.576 ( -0.543 0.000 1.605) 1.694 ======================= Grid point 183 (93/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 2.652 4.047 -12.619) 13.515 1.846 ( -2.652 4.047 12.619) 13.515 2.226 ( -2.028 1.691 -18.256) 18.446 2.226 ( 2.028 1.691 18.256) 18.446 2.766 ( 2.566 3.696 -7.810) 9.013 2.766 ( -2.566 3.696 7.810) 9.013 2.934 ( -5.961 0.468 -4.043) 7.218 2.934 ( 5.961 0.468 4.043) 7.218 2.977 ( -6.199 3.051 -1.998) 7.192 2.977 ( 6.199 3.051 1.998) 7.192 3.249 ( 2.357 -0.633 -4.076) 4.751 3.249 ( -2.357 -0.633 4.076) 4.751 3.561 ( -1.110 -3.550 -3.159) 4.880 3.561 ( 1.110 -3.550 3.159) 4.880 3.868 ( 3.178 -1.453 -1.374) 3.755 3.868 ( -3.178 -1.453 1.374) 3.755 4.043 ( -5.222 9.293 -5.541) 12.014 4.043 ( 5.222 9.293 5.541) 12.014 4.294 ( -2.259 2.382 -4.071) 5.230 4.294 ( 2.259 2.382 4.071) 5.230 4.784 ( 2.192 2.902 -10.512) 11.123 4.784 ( -2.192 2.902 10.512) 11.123 5.193 ( -5.176 -5.301 -8.595) 11.347 5.193 ( 5.176 -5.301 8.595) 11.347 5.488 ( -1.089 5.574 -6.836) 8.887 5.488 ( 1.089 5.574 6.836) 8.887 6.022 ( 1.512 -3.198 -2.221) 4.177 6.022 ( -1.512 -3.198 2.221) 4.177 6.307 ( 1.772 0.114 -1.187) 2.136 6.307 ( -1.772 0.114 1.187) 2.136 6.622 ( 0.173 2.203 -3.011) 3.735 6.622 ( -0.173 2.203 3.011) 3.735 6.738 ( -2.039 5.612 -4.712) 7.606 6.738 ( 2.039 5.612 4.712) 7.606 7.410 ( -9.556 -6.297 -1.416) 11.531 7.410 ( 9.556 -6.297 1.416) 11.531 7.893 ( -4.256 4.793 -0.521) 6.431 7.893 ( 4.256 4.793 0.521) 6.431 8.234 ( -0.611 2.252 -0.642) 2.421 8.234 ( 0.611 2.252 0.642) 2.421 8.397 ( 8.653 3.840 -5.710) 11.056 8.397 ( -8.653 3.840 5.710) 11.056 8.753 ( -2.869 -5.037 -1.158) 5.911 8.753 ( 2.869 -5.037 1.158) 5.911 9.124 ( 2.340 2.923 -3.280) 4.978 9.124 ( -2.340 2.923 3.280) 4.978 9.465 ( -0.407 -0.632 -11.097) 11.122 9.465 ( 0.407 -0.632 11.097) 11.122 10.746 ( 1.337 -2.880 -8.197) 8.791 10.746 ( -1.337 -2.880 8.197) 8.791 10.787 ( 5.256 2.971 -4.577) 7.577 10.787 ( -5.256 2.971 4.577) 7.577 11.149 ( -2.340 -1.352 -2.897) 3.962 11.149 ( 2.340 -1.352 2.897) 3.962 11.895 ( 3.346 -9.508 -10.631) 14.650 11.895 ( -3.346 -9.508 10.631) 14.650 12.421 ( 3.390 -4.679 -2.867) 6.450 12.421 ( -3.390 -4.679 2.867) 6.450 12.741 ( -6.973 0.446 -0.964) 7.053 12.741 ( 6.973 0.446 0.964) 7.053 12.968 ( -6.762 8.134 -9.759) 14.392 12.968 ( 6.762 8.134 9.759) 14.392 13.604 ( -4.146 -4.232 -7.118) 9.261 13.604 ( 4.146 -4.232 7.118) 9.261 14.260 ( -6.531 2.005 -0.609) 6.859 14.260 ( 6.531 2.005 0.609) 6.859 14.423 ( -3.271 -2.504 -11.274) 12.003 14.423 ( 3.271 -2.504 11.274) 12.003 14.949 ( -2.482 -3.641 -4.568) 6.347 14.949 ( 2.482 -3.641 4.568) 6.347 15.383 ( -11.296 -0.983 -6.975) 13.312 15.383 ( 11.296 -0.983 6.975) 13.312 16.189 ( -14.205 5.963 -5.165) 16.249 16.189 ( 14.205 5.963 5.165) 16.249 16.632 ( -6.803 2.817 -2.044) 7.641 16.632 ( 6.803 2.817 2.044) 7.641 16.788 ( -3.359 -0.194 -3.196) 4.640 16.788 ( 3.359 -0.194 3.196) 4.640 17.274 ( 0.120 -2.894 -5.731) 6.422 17.274 ( -0.120 -2.894 5.731) 6.422 24.573 ( -1.655 0.861 -3.041) 3.567 24.573 ( 1.655 0.861 3.041) 3.567 25.224 ( 2.686 -0.587 -4.977) 5.686 25.224 ( -2.686 -0.587 4.977) 5.686 25.758 ( -1.519 -0.346 -2.937) 3.325 25.758 ( 1.519 -0.346 2.937) 3.325 26.094 ( -2.714 -3.536 -5.115) 6.784 26.094 ( 2.714 -3.536 5.115) 6.784 27.686 ( 9.015 -9.037 -3.597) 13.262 27.686 ( -9.015 -9.037 3.597) 13.262 27.858 ( -4.987 -1.943 -4.323) 6.880 27.858 ( 4.987 -1.943 4.323) 6.880 29.639 ( 2.932 3.554 -4.138) 6.193 29.639 ( -2.932 3.554 4.138) 6.193 30.702 ( 1.733 11.043 -4.372) 12.002 30.702 ( -1.733 11.043 4.372) 12.002 ======================= Grid point 185 (94/104) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 5.131 3.893 -11.883) 13.517 1.917 ( 5.838 4.312 3.924) 8.250 2.142 ( 1.414 3.544 -11.990) 12.582 2.366 ( 2.365 -1.657 17.810) 18.043 2.619 ( -13.561 1.721 4.669) 14.446 2.678 ( -6.671 6.317 -4.307) 10.147 2.832 ( -3.420 0.136 -1.109) 3.598 2.881 ( -3.819 2.173 -1.894) 4.785 2.991 ( -0.043 1.330 -0.416) 1.395 3.085 ( -0.808 5.065 0.562) 5.160 3.171 ( -2.427 -1.001 5.006) 5.653 3.299 ( 1.165 2.061 -1.418) 2.760 3.481 ( -4.052 -4.537 3.212) 6.879 3.646 ( 3.720 -1.749 2.777) 4.961 3.748 ( -12.075 -0.842 -4.250) 12.829 3.907 ( 0.370 4.793 -6.197) 7.843 3.963 ( 4.461 1.963 -3.010) 5.728 4.184 ( 6.268 8.458 2.727) 10.875 4.217 ( -0.881 9.104 -2.942) 9.608 4.305 ( -2.155 0.740 -3.550) 4.218 4.703 ( -5.532 2.342 0.311) 6.015 4.794 ( -1.446 2.222 -3.362) 4.281 5.094 ( -0.700 -4.113 -6.417) 7.654 5.265 ( -5.734 -3.806 7.292) 10.027 5.434 ( 3.283 0.624 0.934) 3.470 5.568 ( 2.482 3.622 5.951) 7.395 6.019 ( -0.009 -2.771 1.795) 3.302 6.051 ( 1.688 -4.763 -1.594) 5.299 6.302 ( 0.074 2.679 4.230) 5.008 6.421 ( 6.875 -0.524 1.109) 6.983 6.623 ( 1.195 -0.220 -1.285) 1.769 6.641 ( 1.338 4.102 1.923) 4.724 6.741 ( 6.046 6.196 -1.819) 8.846 6.854 ( 5.928 4.087 4.635) 8.563 7.298 ( -0.693 -5.824 -0.725) 5.910 7.596 ( 7.291 -5.838 -0.183) 9.342 7.777 ( -6.584 0.956 -3.286) 7.420 7.953 ( 2.568 6.798 -3.797) 8.199 8.098 ( -8.671 1.670 -5.648) 10.482 8.231 ( 0.227 0.201 2.671) 2.688 8.358 ( -1.110 5.193 9.961) 11.289 8.477 ( 0.674 -0.180 -3.757) 3.821 8.709 ( -1.636 -4.222 -0.471) 4.552 8.826 ( 3.016 -4.035 3.087) 5.908 9.026 ( -6.129 2.254 -0.072) 6.531 9.116 ( -0.096 6.082 -2.707) 6.658 9.479 ( 4.908 -2.121 -4.997) 7.319 9.592 ( 4.175 0.662 9.835) 10.705 10.558 ( -7.208 -1.251 -1.966) 7.575 10.632 ( -8.825 3.942 2.414) 9.962 10.930 ( 8.323 1.880 -1.022) 8.594 10.944 ( 9.182 -2.262 -5.445) 10.912 11.118 ( -0.528 -2.009 0.502) 2.137 11.281 ( 9.146 -3.066 6.579) 11.676 11.847 ( -3.650 -10.833 3.925) 12.086 11.870 ( -1.441 -6.016 -11.278) 12.863 12.314 ( -5.337 -6.187 4.208) 9.191 12.488 ( -1.230 -3.770 -5.212) 6.549 12.571 ( -8.068 -2.081 4.053) 9.265 12.804 ( -4.139 1.008 -2.949) 5.181 12.836 ( 0.690 10.022 -2.478) 10.347 13.117 ( 1.972 8.344 8.592) 12.138 13.515 ( -1.075 -1.443 -5.359) 5.654 13.727 ( 4.799 -1.600 5.527) 7.493 14.143 ( -1.828 -1.075 4.932) 5.368 14.262 ( -3.152 -2.811 -8.180) 9.206 14.488 ( 8.600 -0.510 0.964) 8.669 14.568 ( 4.112 -2.934 12.384) 13.374 14.864 ( -5.280 -7.321 -8.961) 12.719 14.952 ( -2.107 -4.532 -3.034) 5.847 15.221 ( -1.869 2.088 -0.283) 2.816 15.642 ( 11.775 1.290 6.498) 13.511 15.847 ( -16.678 6.948 -6.072) 19.060 16.425 ( 1.360 1.737 -0.933) 2.395 16.479 ( 0.217 4.690 -0.144) 4.697 16.657 ( -5.866 0.535 -4.821) 7.612 16.763 ( 3.987 2.907 -2.955) 5.751 16.805 ( -2.337 0.512 1.906) 3.058 17.301 ( 4.692 -3.358 -1.630) 5.995 17.351 ( 4.037 -1.905 5.663) 7.211 24.583 ( 3.864 0.912 -1.939) 4.419 24.668 ( 6.008 0.655 4.414) 7.483 25.176 ( -4.722 -1.355 3.922) 6.287 25.226 ( 0.417 -0.246 -6.061) 6.080 25.729 ( -0.291 0.156 -0.622) 0.704 25.816 ( 2.263 -1.396 1.986) 3.319 26.028 ( -1.440 -2.910 -2.154) 3.897 26.174 ( 2.007 -5.323 6.076) 8.323 27.502 ( -10.524 -7.174 1.464) 12.820 27.687 ( -4.689 -0.268 -11.760) 12.663 27.844 ( 3.837 -6.195 2.792) 7.804 27.958 ( 3.809 -3.421 0.413) 5.137 29.612 ( -1.469 2.231 3.949) 4.768 29.676 ( 2.355 2.524 -3.418) 4.857 30.691 ( -1.277 10.068 3.642) 10.782 30.715 ( 1.304 11.694 -3.199) 12.194 ======================= Grid point 186 (95/104) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 7.405 2.736 -9.899) 12.662 2.081 ( 10.156 6.246 -1.724) 12.046 2.135 ( 0.748 1.742 -4.050) 4.472 2.374 ( -11.519 -5.407 4.432) 13.475 2.480 ( -2.169 0.028 14.447) 14.609 2.561 ( -3.845 10.436 -2.234) 11.344 2.748 ( -4.378 1.276 -1.146) 4.702 2.800 ( -3.036 2.904 -5.575) 6.981 2.953 ( -3.394 6.595 5.404) 9.177 3.052 ( 0.608 2.507 0.819) 2.706 3.127 ( -5.638 2.185 0.131) 6.048 3.273 ( -4.777 3.575 -1.236) 6.093 3.450 ( -1.680 -2.262 3.135) 4.215 3.491 ( -6.367 -1.432 -7.494) 9.937 3.740 ( 4.359 1.404 4.294) 6.278 3.896 ( 1.161 7.234 -5.693) 9.278 4.060 ( 4.485 -1.013 0.663) 4.646 4.197 ( -0.659 4.508 -3.241) 5.591 4.215 ( -3.905 7.954 -0.004) 8.861 4.270 ( 1.228 7.430 -4.924) 8.998 4.636 ( -2.225 1.191 6.500) 6.973 4.717 ( -2.297 -0.253 -8.048) 8.373 5.084 ( 1.662 -0.626 -4.600) 4.931 5.162 ( -6.392 0.104 6.146) 8.868 5.539 ( 5.168 -5.074 2.211) 7.572 5.634 ( 0.817 -1.907 5.164) 5.565 6.029 ( 0.383 -3.885 1.052) 4.043 6.058 ( -0.226 -5.367 -0.713) 5.419 6.324 ( 0.697 3.417 4.455) 5.658 6.466 ( -2.355 0.166 -2.190) 3.221 6.677 ( 4.363 1.110 2.012) 4.931 6.699 ( 3.140 4.479 0.293) 5.478 6.912 ( 11.063 5.474 -2.467) 12.587 6.983 ( 4.671 2.114 6.101) 7.969 7.369 ( 7.288 -5.251 0.103) 8.984 7.619 ( -3.792 0.879 -3.183) 5.029 7.645 ( -3.789 -1.931 -2.651) 5.011 7.824 ( -10.406 -3.084 -5.380) 12.114 8.103 ( 6.264 -0.002 1.603) 6.466 8.266 ( 0.383 1.852 5.282) 5.611 8.370 ( -2.415 0.825 3.076) 3.997 8.423 ( -1.912 -1.943 -5.460) 6.103 8.714 ( 3.371 -1.713 0.328) 3.795 8.890 ( 1.234 -1.000 6.201) 6.401 8.927 ( -3.761 2.370 0.726) 4.504 9.102 ( -1.150 6.129 -4.842) 7.895 9.546 ( 4.624 -0.670 -4.337) 6.375 9.655 ( -2.025 1.410 6.970) 7.394 10.469 ( -0.693 0.629 -5.642) 5.719 10.508 ( -6.077 3.533 5.648) 9.017 11.035 ( 5.748 -1.570 -6.794) 9.037 11.088 ( 2.714 0.009 6.894) 7.409 11.138 ( 6.234 -1.186 -2.201) 6.717 11.442 ( 0.673 -4.281 1.758) 4.676 11.788 ( 1.033 -6.961 -5.107) 8.695 11.833 ( 0.078 -11.266 1.984) 11.440 12.265 ( -2.154 -5.859 1.285) 6.373 12.320 ( -8.114 -3.150 0.554) 8.721 12.556 ( -0.046 1.623 2.369) 2.872 12.686 ( -4.965 0.687 -4.482) 6.724 12.853 ( 0.790 8.667 0.716) 8.733 13.059 ( -8.518 8.611 -0.355) 12.117 13.573 ( 6.927 2.928 3.473) 8.283 13.802 ( 0.806 2.852 0.002) 2.964 14.162 ( 0.278 -5.542 2.276) 5.998 14.291 ( 8.080 -7.780 5.194) 12.361 14.532 ( -9.335 -3.541 -6.039) 11.668 14.610 ( -0.874 -5.974 -0.295) 6.045 14.758 ( 2.205 -5.666 4.928) 7.826 14.949 ( 1.084 -3.318 -7.383) 8.167 15.207 ( 0.905 6.557 1.411) 6.768 15.567 ( -10.827 2.469 -3.785) 11.732 15.880 ( 10.591 4.269 4.823) 12.396 16.270 ( -8.603 3.044 -3.615) 9.815 16.553 ( -0.300 0.949 -4.720) 4.824 16.625 ( 5.531 4.037 3.170) 7.546 16.712 ( -5.481 -0.300 -0.583) 5.520 16.795 ( -0.539 3.434 -2.683) 4.391 17.397 ( 5.292 -2.427 -1.007) 5.908 17.440 ( 2.192 -1.554 4.324) 5.091 24.684 ( 7.291 0.902 -1.323) 7.465 24.802 ( 4.546 1.107 4.180) 6.275 25.101 ( -4.644 -2.445 4.817) 7.124 25.181 ( -1.722 -0.755 -7.055) 7.301 25.740 ( 1.341 0.063 0.952) 1.646 25.828 ( -1.319 -1.227 -1.066) 2.093 26.048 ( 4.063 -4.678 0.406) 6.209 26.205 ( -2.192 -7.441 5.342) 9.419 27.363 ( -4.076 -1.286 1.779) 4.629 27.523 ( -6.263 1.567 -10.247) 12.111 27.921 ( 2.563 -4.338 3.559) 6.169 27.995 ( 0.908 -3.263 -2.710) 4.338 29.625 ( 0.640 0.004 3.732) 3.787 29.685 ( 0.355 0.536 -3.253) 3.316 30.692 ( -0.529 9.743 3.615) 10.405 30.716 ( 0.509 11.314 -3.150) 11.755 ======================= Grid point 187 (96/104) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.185 0.999 -8.279) 8.423 2.052 ( -1.185 0.999 8.279) 8.423 2.232 ( -1.061 2.107 -3.591) 4.297 2.232 ( 1.061 2.107 3.591) 4.297 2.494 ( 1.843 3.769 -11.253) 12.010 2.494 ( -1.843 3.769 11.253) 12.010 2.726 ( 0.360 3.970 -6.767) 7.853 2.726 ( -0.360 3.970 6.767) 7.853 2.992 ( -4.404 6.742 -5.601) 9.810 2.992 ( 4.404 6.742 5.601) 9.810 3.136 ( -3.919 1.419 -7.291) 8.398 3.136 ( 3.919 1.419 7.291) 8.398 3.442 ( 0.463 -1.195 -3.640) 3.859 3.442 ( -0.463 -1.195 3.640) 3.859 3.847 ( -3.485 4.880 -4.935) 7.766 3.847 ( 3.485 4.880 4.935) 7.766 4.124 ( -3.764 2.756 -1.444) 4.883 4.124 ( 3.764 2.756 1.444) 4.883 4.230 ( 3.484 5.483 -12.922) 14.463 4.230 ( -3.484 5.483 12.922) 14.463 4.659 ( 0.014 1.127 -7.770) 7.851 4.659 ( -0.014 1.127 7.770) 7.851 5.103 ( 3.156 0.773 -5.906) 6.741 5.103 ( -3.156 0.773 5.906) 6.741 5.625 ( 0.510 -5.544 -2.710) 6.192 5.625 ( -0.510 -5.544 2.710) 6.192 6.044 ( -0.527 -4.555 -0.721) 4.642 6.044 ( 0.527 -4.555 0.721) 4.642 6.385 ( -2.942 1.448 -4.777) 5.794 6.385 ( 2.942 1.448 4.777) 5.794 6.731 ( 0.927 3.284 -3.943) 5.215 6.731 ( -0.927 3.284 3.943) 5.215 7.040 ( 3.003 3.667 -7.725) 9.063 7.040 ( -3.003 3.667 7.725) 9.063 7.516 ( -5.966 0.302 -0.941) 6.047 7.516 ( 5.966 0.302 0.941) 6.047 7.638 ( -3.613 -5.701 -2.823) 7.316 7.638 ( 3.613 -5.701 2.823) 7.316 8.226 ( -3.383 -1.046 -4.768) 5.939 8.226 ( 3.383 -1.046 4.768) 5.939 8.369 ( -0.521 -0.759 -7.373) 7.430 8.369 ( 0.521 -0.759 7.373) 7.430 8.818 ( -4.473 -1.091 -1.421) 4.818 8.818 ( 4.473 -1.091 1.421) 4.818 9.007 ( -4.697 4.979 -7.617) 10.241 9.007 ( 4.697 4.979 7.617) 10.241 9.612 ( 3.852 1.347 -6.025) 7.277 9.612 ( -3.852 1.347 6.025) 7.277 10.460 ( 2.978 2.039 -7.675) 8.482 10.460 ( -2.978 2.039 7.675) 8.482 11.090 ( 3.632 -1.711 -6.822) 7.916 11.090 ( -3.632 -1.711 6.822) 7.916 11.320 ( -9.796 -0.965 -1.907) 10.026 11.320 ( 9.796 -0.965 1.907) 10.026 11.831 ( 4.492 -12.369 -10.051) 16.558 11.831 ( -4.492 -12.369 10.051) 16.558 12.251 ( 1.044 -1.950 -4.398) 4.923 12.251 ( -1.044 -1.950 4.398) 4.923 12.588 ( -0.733 0.769 -5.533) 5.634 12.588 ( 0.733 0.769 5.533) 5.634 12.909 ( -5.377 9.264 -1.653) 10.838 12.909 ( 5.377 9.264 1.653) 10.838 13.731 ( -5.189 4.347 -6.870) 9.644 13.731 ( 5.189 4.347 6.870) 9.644 14.274 ( -8.653 -10.136 -7.590) 15.337 14.274 ( 8.653 -10.136 7.590) 15.337 14.511 ( -8.453 -4.596 -3.815) 10.351 14.511 ( 8.453 -4.596 3.815) 10.351 14.859 ( -3.279 -1.059 -10.177) 10.745 14.859 ( 3.279 -1.059 10.177) 10.745 15.351 ( -9.702 2.281 -5.570) 11.418 15.351 ( 9.702 2.281 5.570) 11.418 16.086 ( -9.289 4.198 -4.299) 11.063 16.086 ( 9.289 4.198 4.299) 11.063 16.592 ( -3.831 1.376 -0.912) 4.171 16.592 ( 3.831 1.376 0.912) 4.171 16.739 ( -1.035 2.604 -7.080) 7.614 16.739 ( 1.035 2.604 7.080) 7.614 17.460 ( 1.689 -1.707 -3.657) 4.374 17.460 ( -1.689 -1.707 3.657) 4.374 24.808 ( -1.293 1.339 -0.960) 2.094 24.808 ( 1.293 1.339 0.960) 2.094 25.105 ( -1.652 -2.217 -7.576) 8.065 25.105 ( 1.652 -2.217 7.576) 8.065 25.782 ( -2.197 -0.417 -1.789) 2.864 25.782 ( 2.197 -0.417 1.789) 2.864 26.145 ( -1.157 -7.189 -0.662) 7.312 26.145 ( 1.157 -7.189 0.662) 7.312 27.383 ( -3.371 1.925 -6.447) 7.526 27.383 ( 3.371 1.925 6.447) 7.526 27.974 ( -0.022 -3.258 -5.767) 6.623 27.974 ( 0.022 -3.258 5.767) 6.623 29.661 ( 0.105 -0.662 -5.351) 5.393 29.661 ( -0.105 -0.662 5.351) 5.393 30.705 ( 1.093 10.338 -5.884) 11.946 30.705 ( -1.093 10.338 5.884) 11.946 ======================= Grid point 191 (97/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 3.894 8.264 -9.255) 13.004 1.977 ( -3.894 8.264 9.255) 13.004 2.299 ( 0.264 5.043 -14.320) 15.184 2.299 ( -0.264 5.043 14.320) 15.184 2.716 ( 2.062 -7.205 -4.919) 8.965 2.716 ( -2.062 -7.205 4.919) 8.965 2.907 ( 2.327 -3.475 -7.771) 8.826 2.907 ( -2.327 -3.475 7.771) 8.826 3.120 ( -6.129 6.404 -4.948) 10.152 3.120 ( 6.129 6.404 4.948) 10.152 3.283 ( 4.897 5.500 -4.996) 8.899 3.283 ( -4.897 5.500 4.996) 8.899 3.503 ( -0.431 -2.114 -4.133) 4.662 3.503 ( 0.431 -2.114 4.133) 4.662 3.813 ( 2.003 -2.890 -3.348) 4.855 3.813 ( -2.003 -2.890 3.348) 4.855 4.266 ( -3.227 10.700 -10.639) 15.430 4.266 ( 3.227 10.700 10.639) 15.430 4.432 ( -0.842 9.763 -3.369) 10.362 4.432 ( 0.842 9.763 3.369) 10.362 4.827 ( -1.019 1.352 -7.108) 7.307 4.827 ( 1.019 1.352 7.108) 7.307 5.133 ( -2.308 -0.324 -6.204) 6.628 5.133 ( 2.308 -0.324 6.204) 6.628 5.540 ( -3.083 -1.819 -3.341) 4.897 5.540 ( 3.083 -1.819 3.341) 4.897 5.885 ( 0.875 -8.291 -3.871) 9.192 5.885 ( -0.875 -8.291 3.871) 9.192 6.333 ( 1.999 2.116 -1.792) 3.418 6.333 ( -1.999 2.116 1.792) 3.418 6.719 ( -1.936 6.205 -2.253) 6.880 6.719 ( 1.936 6.205 2.253) 6.880 6.879 ( -0.375 6.864 -2.803) 7.424 6.879 ( 0.375 6.864 2.803) 7.424 7.274 ( -7.694 -5.962 0.713) 9.760 7.274 ( 7.694 -5.962 -0.713) 9.760 7.962 ( -8.379 1.623 -5.235) 10.013 7.962 ( 8.379 1.623 5.235) 10.013 8.308 ( -0.568 3.458 -6.805) 7.654 8.308 ( 0.568 3.458 6.805) 7.654 8.468 ( -1.436 2.216 -7.462) 7.916 8.468 ( 1.436 2.216 7.462) 7.916 8.650 ( -3.604 -3.101 -4.309) 6.416 8.650 ( 3.604 -3.101 4.309) 6.416 9.177 ( 1.332 1.145 -6.194) 6.438 9.177 ( -1.332 1.145 6.194) 6.438 9.454 ( -1.647 0.086 -9.477) 9.620 9.454 ( 1.647 0.086 9.477) 9.620 10.647 ( 1.283 -5.696 -4.885) 7.612 10.647 ( -1.283 -5.696 4.885) 7.612 10.886 ( 6.442 5.691 -8.573) 12.141 10.886 ( -6.442 5.691 8.573) 12.141 11.142 ( -0.863 1.225 -2.862) 3.231 11.142 ( 0.863 1.225 2.862) 3.231 11.664 ( 3.675 -11.422 -14.757) 19.019 11.664 ( -3.675 -11.422 14.757) 19.019 12.345 ( -9.390 -2.124 -1.264) 9.709 12.345 ( 9.390 -2.124 1.264) 9.709 12.674 ( -11.490 -6.862 -2.409) 13.598 12.674 ( 11.490 -6.862 2.409) 13.598 13.133 ( -3.188 7.008 -8.114) 11.185 13.133 ( 3.188 7.008 8.114) 11.185 13.566 ( -2.882 1.158 -7.593) 8.204 13.566 ( 2.882 1.158 7.593) 8.204 14.267 ( 6.341 -1.670 -3.638) 7.499 14.267 ( -6.341 -1.670 3.638) 7.499 14.373 ( -0.821 -2.473 -11.598) 11.888 14.373 ( 0.821 -2.473 11.598) 11.888 14.868 ( -2.193 -3.043 -4.216) 5.643 14.868 ( 2.193 -3.043 4.216) 5.643 15.376 ( -9.392 0.571 -8.674) 12.797 15.376 ( 9.392 0.571 8.674) 12.797 16.333 ( -11.991 6.873 -3.855) 14.348 16.333 ( 11.991 6.873 3.855) 14.348 16.695 ( -6.020 2.163 -1.746) 6.631 16.695 ( 6.020 2.163 1.746) 6.631 16.787 ( -4.755 0.851 0.163) 4.833 16.787 ( 4.755 0.851 -0.163) 4.833 17.185 ( -2.077 -5.315 -3.372) 6.628 17.185 ( 2.077 -5.315 3.372) 6.628 24.598 ( -1.393 1.342 -2.182) 2.916 24.598 ( 1.393 1.342 2.182) 2.916 25.206 ( 2.748 -0.986 -3.533) 4.583 25.206 ( -2.748 -0.986 3.533) 4.583 25.754 ( 0.007 0.089 -3.325) 3.326 25.754 ( -0.007 0.089 3.325) 3.326 25.994 ( -0.015 -5.395 -4.462) 7.001 25.994 ( 0.015 -5.395 4.462) 7.001 27.494 ( -3.207 -7.577 -1.891) 8.442 27.494 ( 3.207 -7.577 1.891) 8.442 27.820 ( -2.702 -1.670 -6.668) 7.386 27.820 ( 2.702 -1.670 6.668) 7.386 29.719 ( 2.397 3.508 -4.092) 5.899 29.719 ( -2.397 3.508 4.092) 5.899 30.952 ( 1.352 10.860 -2.660) 11.262 30.952 ( -1.352 10.860 2.660) 11.262 ======================= Grid point 193 (98/104) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 1.296 5.349 -2.438) 6.020 2.051 ( 5.016 7.974 -0.124) 9.422 2.264 ( 3.367 7.329 -11.115) 13.733 2.364 ( -0.627 2.218 12.030) 12.249 2.546 ( -10.883 -5.261 4.790) 13.003 2.728 ( -3.071 -4.495 -2.957) 6.195 2.890 ( -1.027 -1.416 2.886) 3.374 2.982 ( -4.020 11.449 -0.115) 12.134 3.005 ( 4.827 -1.480 -1.469) 5.258 3.181 ( -6.004 4.490 6.807) 10.126 3.246 ( 1.589 4.645 3.746) 6.175 3.308 ( 0.762 1.370 -2.326) 2.805 3.440 ( -3.053 1.199 3.005) 4.449 3.599 ( 4.866 -2.515 0.869) 5.546 3.717 ( -8.592 -1.710 0.176) 8.762 3.862 ( 3.524 -3.698 -0.641) 5.149 4.147 ( -1.528 10.125 -12.978) 16.531 4.392 ( -1.985 7.883 2.000) 8.371 4.405 ( 7.182 10.739 -2.812) 13.222 4.476 ( 1.729 13.178 3.669) 13.788 4.737 ( -4.397 1.616 -6.910) 8.348 4.818 ( -5.489 -0.861 0.786) 5.611 5.060 ( -0.604 1.062 -5.592) 5.724 5.171 ( -2.363 -3.518 6.225) 7.530 5.422 ( -2.771 -2.844 0.106) 3.972 5.633 ( 2.004 1.551 0.943) 2.704 5.856 ( -1.400 -11.170 0.402) 11.265 5.926 ( 1.559 -6.579 1.288) 6.883 6.365 ( 2.645 2.901 2.551) 4.682 6.435 ( 7.926 1.426 0.465) 8.066 6.667 ( -1.294 4.498 -1.334) 4.867 6.776 ( 2.553 7.894 0.862) 8.341 6.872 ( 2.945 3.710 -2.112) 5.186 6.939 ( 2.415 4.475 2.122) 5.510 7.198 ( 0.180 -2.564 4.880) 5.515 7.448 ( 8.261 -8.341 0.309) 11.744 7.770 ( -8.733 -0.633 -3.569) 9.456 8.036 ( -5.477 -0.088 -3.372) 6.432 8.188 ( -6.152 4.783 -6.611) 10.219 8.269 ( 0.666 5.279 3.572) 6.409 8.427 ( -0.335 -1.799 -2.264) 2.911 8.476 ( -4.043 2.452 -2.322) 5.267 8.623 ( 0.289 -3.136 1.299) 3.407 8.777 ( 5.910 -1.303 5.501) 8.178 9.061 ( -6.398 0.869 2.225) 6.830 9.230 ( 2.396 5.013 -3.570) 6.604 9.448 ( 4.113 -0.623 -2.128) 4.672 9.586 ( 4.562 -1.381 7.729) 9.080 10.527 ( -3.445 -1.197 -1.657) 4.006 10.718 ( -3.888 1.595 -1.027) 4.326 10.889 ( 6.516 -0.448 0.926) 6.596 10.992 ( 8.711 3.290 -5.961) 11.056 11.100 ( -1.720 1.048 1.287) 2.390 11.218 ( 4.141 -1.841 3.695) 5.848 11.603 ( -2.478 -10.794 3.108) 11.502 11.714 ( 0.430 -9.666 -3.205) 10.192 12.159 ( -8.713 -5.446 2.412) 10.555 12.403 ( -9.830 -6.475 -3.356) 12.240 12.527 ( 3.683 -0.303 4.168) 5.570 12.808 ( 0.724 -1.366 -1.095) 1.895 13.063 ( -0.335 10.046 -4.158) 10.878 13.230 ( 1.951 2.417 5.733) 6.521 13.518 ( 1.125 1.225 -3.326) 3.718 13.695 ( 5.994 -0.164 9.802) 11.491 14.126 ( -6.816 -0.860 1.918) 7.133 14.212 ( -4.565 -1.573 -6.642) 8.211 14.432 ( 6.129 -3.743 -4.476) 8.462 14.499 ( 4.778 -5.289 9.455) 11.841 14.730 ( -10.060 -3.186 -8.238) 13.387 14.853 ( -1.948 -5.029 -2.089) 5.783 15.272 ( 1.221 3.719 1.109) 4.068 15.622 ( 7.733 -2.903 7.628) 11.244 16.064 ( -10.137 12.091 -7.853) 17.624 16.464 ( -1.597 1.682 -3.121) 3.889 16.598 ( 0.620 5.040 -0.420) 5.095 16.673 ( -5.357 1.490 0.854) 5.626 16.777 ( 0.089 -0.736 -0.701) 1.021 16.858 ( 2.466 2.889 -0.464) 3.827 17.209 ( 5.691 -4.788 -0.540) 7.456 17.287 ( 5.607 -3.964 3.895) 7.894 24.611 ( 3.654 1.718 -1.155) 4.199 24.683 ( 5.851 0.520 3.310) 6.743 25.147 ( -5.051 -1.073 1.965) 5.525 25.210 ( -0.051 -1.310 -5.373) 5.531 25.736 ( -0.224 0.587 -0.314) 0.702 25.787 ( 1.093 -1.072 1.842) 2.395 25.950 ( -1.583 -4.022 -0.754) 4.387 26.030 ( 0.813 -7.252 1.105) 7.380 27.389 ( -4.141 -2.915 1.286) 5.225 27.611 ( 4.928 -7.690 -4.568) 10.212 27.736 ( -1.924 -1.163 -3.523) 4.180 27.885 ( 0.868 -3.582 5.833) 6.900 29.688 ( -2.818 4.010 4.294) 6.517 29.728 ( 0.699 2.361 -3.954) 4.658 30.928 ( -1.562 10.682 1.624) 10.917 30.967 ( 0.631 10.433 -1.849) 10.614 ======================= Grid point 194 (99/104) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 5.247 3.866 -9.733) 11.713 2.156 ( 4.599 0.753 6.838) 8.275 2.254 ( -7.598 4.606 2.260) 9.168 2.338 ( 0.783 3.986 -4.050) 5.736 2.491 ( -0.473 2.928 10.243) 10.664 2.607 ( -6.005 -3.346 -7.463) 10.147 2.900 ( 0.898 4.225 5.278) 6.820 2.936 ( -0.790 11.271 3.660) 11.877 3.081 ( -1.219 3.302 1.171) 3.710 3.109 ( -0.648 8.085 6.335) 10.292 3.233 ( -1.970 5.059 -1.776) 5.712 3.344 ( -5.448 4.099 -1.666) 7.019 3.386 ( 1.413 -2.948 0.091) 3.270 3.515 ( -6.645 2.240 -2.604) 7.481 3.722 ( 6.041 -3.117 3.193) 7.510 3.921 ( 1.363 -2.813 1.369) 3.412 4.116 ( 3.925 5.113 -9.107) 11.157 4.324 ( -3.275 6.398 -6.365) 9.601 4.458 ( -7.277 12.566 3.480) 14.932 4.491 ( -0.263 12.776 -3.025) 13.132 4.657 ( 0.436 0.750 3.989) 4.082 4.720 ( -0.264 -0.103 -6.190) 6.197 5.061 ( 2.402 -2.114 -4.581) 5.588 5.129 ( -4.464 -2.713 6.730) 8.519 5.441 ( 3.420 -3.218 0.388) 4.712 5.620 ( -4.044 1.174 1.660) 4.526 5.856 ( 1.786 -11.026 -0.587) 11.185 5.937 ( -1.145 -6.470 1.234) 6.686 6.413 ( 1.059 4.425 3.529) 5.758 6.515 ( -0.638 3.682 -2.707) 4.615 6.706 ( 5.550 2.180 2.300) 6.391 6.819 ( 1.559 6.539 -1.280) 6.843 6.963 ( 7.595 -3.108 -5.525) 9.893 7.002 ( 2.496 1.109 6.956) 7.473 7.305 ( 6.868 -0.712 4.930) 8.484 7.518 ( -0.389 -10.322 -2.369) 10.598 7.629 ( -4.915 1.072 -1.346) 5.208 7.827 ( -10.725 3.083 -3.949) 11.837 8.117 ( 1.231 1.146 -4.214) 4.538 8.313 ( -6.922 -4.695 -5.192) 9.844 8.336 ( 1.142 4.654 6.869) 8.375 8.424 ( -1.415 1.359 -2.700) 3.338 8.664 ( 4.563 -2.915 -0.549) 5.442 8.858 ( -1.736 -3.710 2.576) 4.839 9.021 ( 1.541 7.102 7.730) 10.610 9.231 ( -0.737 6.584 -5.295) 8.481 9.532 ( 5.229 -1.340 -1.622) 5.636 9.653 ( -1.123 -2.130 5.636) 6.129 10.499 ( 1.736 2.545 -4.871) 5.764 10.610 ( -6.532 5.440 3.528) 9.204 11.002 ( 6.037 -1.161 -5.229) 8.071 11.085 ( -1.145 0.170 2.435) 2.696 11.149 ( 9.382 2.140 -2.127) 9.855 11.311 ( 3.248 -7.095 1.413) 7.930 11.586 ( -1.865 -9.787 -0.006) 9.963 11.636 ( -6.043 -9.087 0.828) 10.944 12.090 ( 0.274 -6.308 3.341) 7.143 12.255 ( -4.746 -4.500 2.071) 6.860 12.601 ( 1.313 2.147 3.446) 4.267 12.726 ( -4.978 2.181 -6.457) 8.440 13.063 ( 0.547 10.060 0.574) 10.091 13.203 ( -5.316 5.239 -0.797) 7.506 13.603 ( 7.598 -1.923 2.945) 8.372 13.841 ( 2.887 -0.634 7.180) 7.765 14.061 ( -3.127 -4.411 3.133) 6.249 14.123 ( -0.228 -2.736 -3.221) 4.232 14.470 ( -3.373 -5.472 -7.268) 9.703 14.475 ( -4.646 -3.724 -7.081) 9.251 14.645 ( 4.394 -4.535 9.585) 11.478 14.830 ( -0.004 -7.303 -4.920) 8.806 15.325 ( 2.576 5.341 3.083) 6.683 15.603 ( -8.764 -0.130 -1.052) 8.828 16.040 ( 7.621 10.187 -0.692) 12.741 16.344 ( -7.187 3.165 -1.996) 8.103 16.577 ( -0.094 1.461 -2.657) 3.033 16.684 ( 0.858 0.646 -0.852) 1.371 16.746 ( -0.579 3.757 1.307) 4.020 16.859 ( -1.593 1.809 -0.942) 2.587 17.335 ( 6.309 -2.990 0.139) 6.983 17.390 ( 3.046 -2.999 2.661) 5.036 24.712 ( 7.131 1.717 -0.453) 7.349 24.825 ( 6.361 0.526 3.972) 7.518 25.047 ( -6.043 -1.996 2.010) 6.674 25.151 ( -3.135 -2.140 -6.632) 7.642 25.744 ( 0.964 0.323 0.473) 1.121 25.797 ( -0.786 -1.424 0.517) 1.707 25.944 ( 1.081 -4.545 0.832) 4.745 26.028 ( -1.364 -8.023 -0.156) 8.139 27.367 ( 0.570 1.659 3.586) 3.992 27.556 ( -4.272 1.292 -8.430) 9.539 27.785 ( 5.097 -7.160 0.086) 8.789 27.904 ( -1.502 -5.092 3.905) 6.591 29.668 ( -1.436 3.256 4.376) 5.640 29.708 ( -0.527 1.667 -4.051) 4.412 30.918 ( -0.323 10.089 1.759) 10.246 30.957 ( -0.627 9.846 -1.992) 10.065 ======================= Grid point 195 (100/104) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 6.740 2.334 -9.716) 12.053 2.090 ( -6.740 2.335 9.716) 12.053 2.290 ( -4.866 1.261 -4.707) 6.886 2.290 ( 4.866 1.261 4.707) 6.886 2.516 ( 1.903 1.907 -11.536) 11.847 2.516 ( -1.903 1.907 11.536) 11.847 2.953 ( 2.161 13.573 -4.189) 14.368 2.953 ( -2.161 13.573 4.189) 14.368 3.103 ( -5.534 2.428 -7.582) 9.695 3.103 ( 5.534 2.428 7.582) 9.695 3.193 ( -0.956 5.882 -4.593) 7.524 3.193 ( 0.956 5.882 4.594) 7.524 3.448 ( -2.308 0.077 -1.089) 2.554 3.448 ( 2.308 0.077 1.089) 2.554 3.868 ( -6.292 -1.282 -2.399) 6.855 3.868 ( 6.292 -1.282 2.399) 6.855 4.194 ( -7.230 1.939 1.268) 7.593 4.194 ( 7.230 1.939 -1.268) 7.593 4.421 ( -2.712 12.025 -2.500) 12.578 4.421 ( 2.712 12.025 2.500) 12.578 4.708 ( -0.271 2.414 -4.462) 5.080 4.708 ( 0.271 2.414 4.462) 5.080 5.088 ( 3.305 -2.856 -5.918) 7.355 5.088 ( -3.305 -2.856 5.918) 7.355 5.527 ( -0.724 -1.878 -4.324) 4.770 5.527 ( 0.724 -1.878 4.324) 4.770 5.902 ( -1.229 -8.145 0.032) 8.237 5.902 ( 1.229 -8.145 -0.032) 8.237 6.459 ( -1.828 4.700 -4.803) 6.964 6.459 ( 1.828 4.700 4.803) 6.964 6.803 ( -1.463 3.430 -4.495) 5.840 6.803 ( 1.463 3.430 4.495) 5.840 7.047 ( 2.995 -2.962 -10.284) 11.113 7.047 ( -2.995 -2.962 10.284) 11.113 7.440 ( -4.583 -7.930 -5.351) 10.607 7.440 ( 4.583 -7.930 5.351) 10.607 7.643 ( -6.453 6.897 -2.186) 9.695 7.643 ( 6.453 6.897 2.186) 9.695 8.174 ( -4.797 -4.083 -2.591) 6.811 8.174 ( 4.797 -4.083 2.591) 6.811 8.384 ( -0.483 2.507 -6.413) 6.903 8.384 ( 0.483 2.507 6.413) 6.903 8.772 ( -2.891 -3.272 -0.783) 4.436 8.772 ( 2.891 -3.272 0.783) 4.436 9.142 ( -4.467 7.660 -8.373) 12.196 9.142 ( 4.467 7.660 8.373) 12.196 9.615 ( 3.162 -1.777 -3.737) 5.208 9.615 ( -3.162 -1.777 3.737) 5.208 10.531 ( 4.087 4.635 -6.302) 8.826 10.531 ( -4.087 4.635 6.302) 8.826 11.065 ( 2.995 -0.351 -5.347) 6.139 11.065 ( -2.995 -0.351 5.347) 6.139 11.294 ( -4.656 -1.692 -2.196) 5.419 11.294 ( 4.656 -1.692 2.196) 5.419 11.562 ( 4.594 -11.765 -10.893) 16.679 11.562 ( -4.594 -11.765 10.893) 16.679 12.177 ( -5.095 -3.767 -1.057) 6.424 12.177 ( 5.095 -3.767 1.057) 6.424 12.632 ( -0.695 2.060 -6.996) 7.326 12.632 ( 0.695 2.060 6.996) 7.326 13.101 ( -3.438 8.874 -1.907) 9.706 13.101 ( 3.438 8.874 1.907) 9.706 13.780 ( -6.505 -2.844 -4.948) 8.654 13.780 ( 6.505 -2.844 4.948) 8.654 14.091 ( -2.506 -3.899 -6.012) 7.591 14.091 ( 2.506 -3.899 6.012) 7.591 14.410 ( -3.089 -4.013 -0.460) 5.085 14.410 ( 3.089 -4.013 0.460) 5.085 14.766 ( -2.988 -6.810 -9.087) 11.742 14.766 ( 2.988 -6.810 9.087) 11.742 15.430 ( -6.264 4.305 -4.777) 8.977 15.430 ( 6.264 4.305 4.777) 8.977 16.196 ( -7.650 5.415 -1.817) 9.547 16.196 ( 7.650 5.415 1.817) 9.547 16.618 ( -4.006 1.449 -1.515) 4.521 16.618 ( 4.006 1.449 1.515) 4.521 16.804 ( -0.145 2.632 -5.698) 6.278 16.804 ( 0.145 2.632 5.698) 6.278 17.412 ( 1.071 -2.593 -3.172) 4.235 17.412 ( -1.071 -2.593 3.172) 4.235 24.846 ( -3.125 2.157 -2.094) 4.336 24.846 ( 3.125 2.157 2.094) 4.336 25.041 ( -3.967 -3.546 -6.738) 8.586 25.041 ( 3.967 -3.546 6.738) 8.586 25.772 ( -1.015 -0.485 -1.029) 1.525 25.772 ( 1.015 -0.485 1.029) 1.525 25.986 ( -2.131 -6.711 -1.506) 7.201 25.986 ( 2.131 -6.711 1.506) 7.201 27.437 ( -3.165 3.130 -7.351) 8.593 27.437 ( 3.165 3.130 7.351) 8.593 27.867 ( 3.769 -6.351 -1.706) 7.580 27.867 ( -3.769 -6.351 1.706) 7.580 29.679 ( -0.151 2.064 -4.357) 4.824 29.679 ( 0.151 2.064 4.357) 4.824 30.932 ( 0.753 9.679 -5.056) 10.946 30.932 ( -0.753 9.679 5.056) 10.946 ======================= Grid point 199 (101/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 3.364 10.130 -5.074) 11.818 2.182 ( -3.364 10.130 5.074) 11.818 2.387 ( -1.653 -0.345 -8.549) 8.714 2.387 ( 1.653 -0.345 8.549) 8.714 2.544 ( 5.272 -5.425 -4.247) 8.675 2.544 ( -5.272 -5.425 4.247) 8.675 2.802 ( 1.416 -4.427 -3.806) 6.007 2.802 ( -1.416 -4.427 3.806) 6.007 3.243 ( 0.369 5.436 -2.256) 5.898 3.243 ( -0.369 5.436 2.256) 5.898 3.376 ( -1.647 -0.648 -2.452) 3.024 3.376 ( 1.647 -0.648 2.452) 3.024 3.466 ( -0.363 0.281 -1.244) 1.326 3.466 ( 0.363 0.281 1.244) 1.326 3.775 ( 1.784 -0.772 -1.521) 2.469 3.775 ( -1.784 -0.772 1.521) 2.469 4.470 ( -2.251 7.931 -10.433) 13.297 4.470 ( 2.251 7.931 10.433) 13.297 4.579 ( -0.932 0.627 -6.989) 7.079 4.579 ( 0.932 0.627 6.989) 7.079 4.918 ( 0.211 7.910 -5.579) 9.682 4.918 ( -0.211 7.910 5.579) 9.682 5.160 ( -0.919 2.817 -2.949) 4.181 5.160 ( 0.919 2.817 2.949) 4.181 5.374 ( -3.700 -12.032 -2.948) 12.929 5.374 ( 3.700 -12.032 2.948) 12.929 5.767 ( -0.279 -2.183 -1.156) 2.486 5.767 ( 0.279 -2.183 1.156) 2.486 6.373 ( 0.681 1.197 -0.589) 1.498 6.373 ( -0.681 1.197 0.589) 1.498 6.851 ( -3.574 5.331 -2.223) 6.792 6.851 ( 3.574 5.331 2.223) 6.792 6.965 ( -4.007 0.094 -2.186) 4.565 6.965 ( 4.007 0.094 2.186) 4.565 7.188 ( 1.933 -1.558 -1.739) 3.031 7.188 ( -1.933 -1.558 1.739) 3.031 7.980 ( -5.215 0.417 -3.766) 6.446 7.980 ( 5.215 0.417 3.766) 6.446 8.334 ( 0.111 -0.360 -4.524) 4.539 8.334 ( -0.111 -0.360 4.524) 4.539 8.472 ( -5.204 -0.872 -2.442) 5.815 8.472 ( 5.204 -0.872 2.442) 5.815 8.668 ( -2.448 2.844 -5.802) 6.910 8.668 ( 2.448 2.844 5.802) 6.910 9.163 ( -1.249 -1.507 -6.149) 6.453 9.163 ( 1.249 -1.507 6.149) 6.453 9.471 ( -0.891 0.884 -4.205) 4.389 9.471 ( 0.891 0.884 4.205) 4.389 10.545 ( -0.178 -2.945 -1.842) 3.478 10.545 ( 0.178 -2.945 1.842) 3.478 10.990 ( 2.541 3.041 -3.871) 5.539 10.990 ( -2.541 3.041 3.871) 5.539 11.212 ( 3.327 5.061 -7.868) 9.929 11.212 ( -3.327 5.061 7.868) 9.929 11.438 ( 4.043 -8.943 -13.304) 16.533 11.438 ( -4.043 -8.943 13.304) 16.533 12.350 ( -11.296 2.882 -3.479) 12.165 12.350 ( 11.296 2.882 3.479) 12.165 12.495 ( -12.432 -8.217 -3.508) 15.309 12.495 ( 12.432 -8.217 3.508) 15.309 13.264 ( -0.396 4.331 -3.023) 5.297 13.264 ( 0.396 4.331 3.023) 5.297 13.602 ( -1.656 1.012 -3.905) 4.361 13.602 ( 1.656 1.012 3.905) 4.361 14.228 ( 3.378 -1.085 -2.551) 4.370 14.228 ( -3.378 -1.085 2.551) 4.370 14.307 ( 0.823 -2.815 -6.173) 6.835 14.307 ( -0.823 -2.815 6.173) 6.835 14.835 ( -0.928 -0.406 -1.422) 1.746 14.835 ( 0.928 -0.406 1.422) 1.746 15.397 ( -3.963 0.836 -3.950) 5.658 15.397 ( 3.963 0.836 3.950) 5.658 16.456 ( -5.447 3.920 -1.423) 6.860 16.456 ( 5.447 3.920 1.423) 6.860 16.693 ( -1.746 -1.318 -2.340) 3.203 16.693 ( 1.746 -1.318 2.340) 3.203 16.846 ( 3.562 3.390 -2.278) 5.419 16.846 ( -3.562 3.390 2.278) 5.419 17.069 ( -2.126 -4.577 -1.709) 5.328 17.069 ( 2.126 -4.577 1.709) 5.328 24.622 ( -0.578 0.713 -0.814) 1.227 24.622 ( 0.578 0.713 0.814) 1.227 25.188 ( 1.255 -0.553 -1.319) 1.903 25.188 ( -1.255 -0.553 1.319) 1.903 25.764 ( 0.441 0.628 -2.343) 2.466 25.764 ( -0.441 0.628 2.343) 2.466 25.895 ( 0.802 -3.077 -2.831) 4.257 25.895 ( -0.802 -3.077 2.831) 4.257 27.388 ( -1.215 -2.393 -0.813) 2.804 27.388 ( 1.215 -2.393 0.813) 2.804 27.792 ( -0.951 -0.737 -2.652) 2.912 27.792 ( 0.951 -0.737 2.652) 2.912 29.774 ( 0.778 1.434 -1.624) 2.302 29.774 ( -0.778 1.434 1.624) 2.302 31.117 ( 0.435 4.110 -0.716) 4.194 31.117 ( -0.435 4.110 0.716) 4.194 ======================= Grid point 201 (102/104) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -3.888 6.134 2.446) 7.663 2.182 ( -5.244 0.583 -0.181) 5.279 2.376 ( 2.075 2.874 0.428) 3.570 2.424 ( -2.269 2.267 6.082) 6.876 2.531 ( 4.535 4.586 -2.873) 7.061 2.612 ( 1.322 -4.793 -3.265) 5.948 2.817 ( 0.910 -2.491 5.557) 6.158 2.889 ( 8.497 -7.697 -0.115) 11.465 3.221 ( -1.656 10.059 2.991) 10.624 3.248 ( -0.746 3.422 1.169) 3.692 3.317 ( -3.134 -1.776 -1.256) 3.815 3.366 ( -3.346 3.411 5.148) 7.024 3.474 ( -1.147 -2.164 5.555) 6.071 3.503 ( 2.970 -3.098 3.725) 5.683 3.733 ( -3.138 3.199 -0.917) 4.574 3.800 ( 2.257 -2.600 -1.497) 3.755 4.358 ( -3.874 9.705 -13.825) 17.330 4.498 ( -3.958 -0.405 -4.495) 6.003 4.586 ( 5.528 4.092 4.298) 8.110 4.642 ( 2.391 -1.021 2.072) 3.325 4.848 ( -3.774 9.787 -5.228) 11.720 4.872 ( -6.586 9.414 2.864) 11.841 5.071 ( -5.584 -2.729 -3.830) 7.301 5.120 ( -4.134 -3.516 -3.316) 6.360 5.339 ( 3.235 -0.637 1.442) 3.599 5.505 ( 6.256 -12.578 -0.231) 14.050 5.739 ( -2.487 1.321 2.321) 3.649 5.803 ( 0.939 -4.445 2.237) 5.064 6.421 ( 4.400 2.313 1.461) 5.181 6.452 ( 6.758 -0.309 0.853) 6.818 6.778 ( -2.364 5.107 -2.292) 6.077 6.863 ( -1.767 -2.616 -1.310) 3.418 6.960 ( 2.908 8.023 0.564) 8.552 7.037 ( 1.332 3.203 0.666) 3.532 7.173 ( 1.995 -0.717 5.107) 5.530 7.256 ( 3.251 -8.577 -2.059) 9.400 7.809 ( -8.352 4.885 -1.657) 9.816 7.950 ( -7.501 -6.931 -1.069) 10.269 8.268 ( -2.946 3.820 -6.264) 7.906 8.357 ( -1.171 -4.183 -6.396) 7.732 8.438 ( 1.261 8.158 3.025) 8.792 8.521 ( -4.570 1.120 -2.539) 5.346 8.587 ( -0.407 0.227 -1.184) 1.272 8.693 ( 1.235 -6.916 3.561) 7.877 9.137 ( 0.874 6.810 4.775) 8.363 9.272 ( 4.556 -3.322 4.924) 7.486 9.461 ( 1.660 2.926 -3.323) 4.729 9.537 ( 2.861 -3.149 2.481) 4.925 10.537 ( 2.444 2.666 -2.152) 4.208 10.638 ( 5.910 -6.146 -3.231) 9.118 10.974 ( -0.489 5.082 2.896) 5.869 11.030 ( 4.027 -0.185 -4.027) 5.698 11.170 ( -3.663 5.134 6.519) 9.070 11.237 ( 1.189 2.508 -1.908) 3.368 11.407 ( -2.069 -6.016 6.406) 9.029 11.489 ( 2.815 -10.095 -5.269) 11.730 12.126 ( -9.667 2.235 -0.273) 9.926 12.238 ( -10.126 -7.629 -0.811) 12.704 12.576 ( 7.640 4.809 4.526) 10.099 12.712 ( 6.664 -6.921 2.766) 9.998 13.238 ( 0.009 5.520 -2.496) 6.058 13.271 ( -0.408 1.547 0.963) 1.867 13.568 ( -0.995 3.963 -1.111) 4.234 13.671 ( 2.676 -3.864 5.734) 7.414 14.120 ( -6.667 1.466 3.302) 7.583 14.176 ( -4.321 -2.501 -0.685) 5.040 14.370 ( 5.442 -1.813 -5.843) 8.188 14.382 ( 4.089 -3.619 -0.216) 5.465 14.716 ( -8.329 0.923 -4.599) 9.560 14.760 ( -5.622 -3.305 -2.891) 7.133 15.387 ( 2.325 6.648 2.983) 7.649 15.526 ( 4.069 -5.915 5.367) 8.964 16.313 ( -4.961 10.316 -6.969) 13.401 16.462 ( -2.930 -3.178 -5.292) 6.833 16.655 ( -1.305 2.348 -2.008) 3.354 16.713 ( -1.881 -1.487 0.125) 2.401 16.789 ( -0.469 4.010 4.681) 6.181 16.872 ( -1.002 -2.230 1.598) 2.921 17.143 ( 8.706 -0.234 -0.103) 8.710 17.196 ( 7.753 -4.184 1.931) 9.019 24.651 ( 3.813 1.871 0.172) 4.251 24.681 ( 4.848 -0.787 1.779) 5.224 25.142 ( -3.854 0.733 -0.731) 3.990 25.173 ( -1.639 -1.956 -3.475) 4.311 25.755 ( -0.288 1.146 0.124) 1.188 25.773 ( 0.068 -0.428 0.995) 1.085 25.881 ( -0.708 -1.745 0.239) 1.898 25.904 ( 0.382 -3.980 -0.978) 4.116 27.378 ( 0.857 1.709 1.601) 2.493 27.457 ( 4.487 -5.745 0.438) 7.303 27.751 ( -2.098 1.934 -2.131) 3.562 27.809 ( -0.622 -3.386 2.503) 4.256 29.755 ( -1.916 1.969 1.682) 3.221 29.766 ( -0.680 0.860 -1.614) 1.951 31.098 ( -1.288 4.787 0.213) 4.962 31.116 ( -0.442 3.209 -0.802) 3.337 ======================= Grid point 202 (103/104) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 2.087 3.275 -3.014) 4.916 2.130 ( -0.111 -2.375 4.019) 4.669 2.326 ( -7.358 3.222 3.352) 8.704 2.388 ( -4.848 -1.389 1.215) 5.187 2.581 ( -1.599 2.206 0.630) 2.796 2.602 ( 2.665 3.112 -5.367) 6.752 2.933 ( 8.162 3.677 9.835) 13.299 3.053 ( 7.333 -3.583 0.337) 8.168 3.208 ( -2.356 6.175 4.393) 7.937 3.237 ( -1.229 2.019 -1.457) 2.777 3.280 ( 0.963 3.530 1.495) 3.953 3.347 ( -1.038 -0.153 4.581) 4.700 3.474 ( -2.010 2.628 3.200) 4.603 3.544 ( -3.901 -2.854 -0.086) 4.834 3.693 ( 3.571 6.613 0.989) 7.581 3.849 ( 2.104 -4.852 2.019) 5.661 4.225 ( -2.297 5.767 -10.380) 12.095 4.353 ( -8.416 -4.181 -5.928) 11.111 4.651 ( -1.266 0.039 -1.000) 1.614 4.681 ( 0.003 -0.905 -2.168) 2.350 4.748 ( -3.470 11.568 0.046) 12.077 4.791 ( -0.831 13.609 0.160) 13.635 4.972 ( -1.275 -6.445 -3.727) 7.553 5.045 ( -3.081 -7.178 -0.436) 7.824 5.440 ( 6.145 4.141 1.194) 7.506 5.608 ( 4.436 -10.773 -0.158) 11.652 5.686 ( -3.565 4.424 1.624) 5.909 5.800 ( -2.535 -6.090 1.712) 6.815 6.505 ( 2.687 4.178 3.187) 5.902 6.564 ( 2.573 -0.335 0.760) 2.703 6.770 ( 3.544 3.762 -1.780) 5.467 6.860 ( 3.014 -4.759 -3.860) 6.829 6.963 ( -2.009 6.611 -1.751) 7.128 7.042 ( -2.105 1.461 3.006) 3.950 7.255 ( 2.625 -3.736 1.359) 4.764 7.295 ( 2.129 -7.888 2.121) 8.441 7.716 ( -0.577 6.246 0.035) 6.273 7.834 ( -2.568 -3.386 -1.137) 4.399 8.155 ( -5.292 2.317 -7.723) 9.644 8.216 ( -8.078 -3.740 -7.490) 11.634 8.440 ( -1.979 3.349 4.881) 6.241 8.459 ( -0.569 1.408 -0.872) 1.751 8.626 ( 4.414 1.203 -0.767) 4.639 8.733 ( -0.489 -6.947 2.911) 7.548 9.215 ( 3.933 10.097 6.586) 12.680 9.358 ( 1.825 1.729 1.856) 3.125 9.474 ( 1.565 -1.287 -2.325) 3.084 9.567 ( -0.815 -5.561 0.837) 5.682 10.585 ( 3.859 5.313 -4.025) 7.702 10.674 ( -0.759 -1.135 -1.055) 1.725 11.017 ( 4.212 3.373 -1.577) 5.621 11.097 ( 3.757 -1.397 -2.837) 4.911 11.148 ( -1.258 0.262 5.148) 5.306 11.240 ( -1.860 -2.234 4.404) 5.277 11.399 ( -1.852 -3.697 4.087) 5.814 11.471 ( -0.365 -6.458 -9.609) 11.583 12.045 ( 0.259 1.891 4.847) 5.209 12.138 ( -1.979 -5.871 4.061) 7.408 12.661 ( -0.373 3.619 2.103) 4.202 12.732 ( -3.213 -2.071 -2.959) 4.834 13.243 ( 0.853 5.996 0.921) 6.126 13.296 ( 2.195 2.267 0.445) 3.187 13.549 ( -0.066 1.244 0.591) 1.379 13.708 ( -2.627 -10.219 3.127) 11.005 14.066 ( -0.444 3.592 4.654) 5.896 14.119 ( -0.756 -0.424 -1.155) 1.444 14.391 ( -0.501 -1.730 -6.589) 6.831 14.400 ( -1.584 -2.637 -3.692) 4.806 14.599 ( -0.740 0.633 0.419) 1.060 14.675 ( -2.003 -6.234 -2.560) 7.030 15.446 ( 1.756 5.811 3.706) 7.112 15.555 ( -2.419 -4.072 2.310) 5.269 16.251 ( 1.271 8.371 -5.369) 10.026 16.364 ( -4.120 -2.045 -4.288) 6.288 16.628 ( -0.071 3.525 1.153) 3.709 16.687 ( -0.898 -0.962 -0.411) 1.379 16.812 ( 0.745 2.313 1.058) 2.650 16.856 ( -1.383 -1.732 0.628) 2.304 17.295 ( 6.394 -0.255 0.489) 6.417 17.325 ( 4.596 -2.714 1.415) 5.522 24.756 ( 6.807 2.453 1.135) 7.325 24.808 ( 7.064 -2.035 3.124) 7.987 25.041 ( -6.115 1.528 -1.775) 6.548 25.094 ( -4.616 -2.948 -4.700) 7.217 25.756 ( 0.252 0.811 0.321) 0.908 25.774 ( -0.497 -0.847 0.861) 1.306 25.876 ( 0.020 -1.419 0.533) 1.516 25.899 ( -0.269 -3.727 -1.330) 3.967 27.430 ( 3.187 4.155 2.868) 5.970 27.531 ( 2.468 -4.438 -1.458) 5.283 27.710 ( -0.678 1.426 -0.587) 1.685 27.791 ( -2.412 -5.160 1.591) 5.913 29.729 ( -1.555 1.933 1.757) 3.040 29.740 ( -0.992 0.806 -1.699) 2.127 31.079 ( -0.734 4.553 0.276) 4.620 31.097 ( -1.009 2.984 -0.888) 3.273 ======================= Grid point 203 (104/104) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 3.024 1.691 -6.434) 7.307 2.137 ( -3.024 1.691 6.434) 7.307 2.269 ( -1.338 -1.741 -6.250) 6.625 2.269 ( 1.338 -1.741 6.250) 6.625 2.590 ( -0.051 2.972 -4.598) 5.475 2.590 ( 0.051 2.972 4.598) 5.475 3.120 ( -1.859 0.852 -2.794) 3.462 3.120 ( 1.859 0.852 2.794) 3.462 3.191 ( -0.911 6.438 -4.961) 8.179 3.191 ( 0.911 6.438 4.961) 8.179 3.331 ( -2.480 2.343 -2.829) 4.432 3.331 ( 2.480 2.343 2.829) 4.432 3.450 ( -1.465 2.827 -5.188) 6.087 3.450 ( 1.465 2.827 5.188) 6.087 3.827 ( -5.297 -2.191 -2.381) 6.207 3.827 ( 5.297 -2.191 2.381) 6.207 4.209 ( 0.151 0.125 -0.558) 0.591 4.209 ( -0.151 0.125 0.558) 0.591 4.621 ( 1.482 1.446 -7.649) 7.924 4.621 ( -1.482 1.446 7.649) 7.924 4.768 ( 2.074 8.114 -3.806) 9.199 4.768 ( -2.074 8.114 3.806) 9.199 4.991 ( 2.374 -6.346 -4.246) 7.996 4.991 ( -2.374 -6.346 4.246) 7.996 5.562 ( -6.216 4.044 -0.187) 7.418 5.562 ( 6.216 4.044 0.187) 7.418 5.731 ( -3.643 -6.919 -0.423) 7.831 5.731 ( 3.643 -6.919 0.423) 7.831 6.555 ( -1.264 3.469 -3.278) 4.938 6.555 ( 1.264 3.469 3.278) 4.938 6.857 ( -2.707 1.016 -3.412) 4.472 6.857 ( 2.707 1.016 3.412) 4.472 6.972 ( 3.998 -2.514 -3.046) 5.620 6.972 ( -3.998 -2.514 3.046) 5.620 7.303 ( -0.621 -3.840 -1.567) 4.194 7.303 ( 0.621 -3.840 1.567) 4.194 7.783 ( -4.525 4.674 -1.373) 6.648 7.783 ( 4.525 4.674 1.373) 6.648 8.078 ( -2.232 -3.719 -0.392) 4.355 8.078 ( 2.232 -3.719 0.392) 4.355 8.449 ( 0.404 2.500 -3.563) 4.371 8.449 ( -0.404 2.500 3.563) 4.371 8.700 ( 3.311 -2.621 -1.776) 4.581 8.700 ( -3.311 -2.621 1.776) 4.581 9.323 ( -2.854 8.705 -5.880) 10.885 9.323 ( 2.854 8.705 5.880) 10.885 9.523 ( -1.968 -6.409 -1.757) 6.931 9.523 ( 1.968 -6.409 1.757) 6.931 10.635 ( 2.756 3.896 -3.186) 5.738 10.635 ( -2.756 3.896 3.186) 5.738 11.084 ( 3.244 2.600 -6.045) 7.337 11.084 ( -3.244 2.600 6.045) 7.337 11.199 ( 4.833 -7.164 -6.556) 10.847 11.199 ( -4.833 -7.164 6.556) 10.847 11.412 ( -1.352 -1.895 -3.846) 4.495 11.412 ( 1.352 -1.895 3.846) 4.495 12.119 ( -3.073 -1.430 -1.041) 3.545 12.119 ( 3.073 -1.430 1.041) 3.545 12.655 ( -1.106 0.248 -3.307) 3.496 12.655 ( 1.106 0.248 3.307) 3.496 13.287 ( -2.355 7.937 -1.499) 8.414 13.287 ( 2.355 7.937 1.499) 8.414 13.615 ( -5.317 -8.863 -1.741) 10.481 13.615 ( 5.317 -8.863 1.741) 10.481 14.109 ( -0.534 2.277 -3.904) 4.551 14.109 ( 0.534 2.277 3.904) 4.551 14.353 ( -0.460 -1.402 -0.404) 1.530 14.353 ( 0.460 -1.402 0.404) 1.530 14.633 ( -1.309 -4.176 -3.568) 5.646 14.633 ( 1.309 -4.176 3.568) 5.646 15.500 ( -2.458 1.804 -2.042) 3.670 15.500 ( 2.458 1.804 2.042) 3.670 16.283 ( -3.208 2.243 0.085) 3.915 16.283 ( 3.208 2.243 -0.085) 3.915 16.659 ( -1.623 1.890 -1.987) 3.187 16.659 ( 1.623 1.890 1.987) 3.187 16.831 ( 0.529 0.070 -2.609) 2.663 16.831 ( -0.529 0.070 2.609) 2.663 17.365 ( 0.364 -1.376 -1.358) 1.967 17.365 ( -0.364 -1.376 1.358) 1.967 24.898 ( -4.729 2.689 -3.426) 6.429 24.898 ( 4.729 2.689 3.426) 6.429 24.965 ( -5.265 -3.393 -5.068) 8.057 24.965 ( 5.265 -3.393 5.068) 8.057 25.765 ( 0.183 -0.101 -0.787) 0.814 25.765 ( -0.183 -0.101 0.787) 0.814 25.885 ( -0.263 -2.525 -1.435) 2.916 25.885 ( 0.263 -2.525 1.435) 2.916 27.507 ( -1.825 2.860 -4.612) 5.725 27.507 ( 1.825 2.860 4.612) 5.725 27.740 ( -0.625 -4.517 -2.203) 5.064 27.740 ( 0.625 -4.517 2.203) 5.064 29.721 ( 0.105 1.343 -1.768) 2.223 29.721 ( -0.105 1.343 1.768) 2.223 31.078 ( 0.223 3.650 -1.804) 4.078 31.078 ( -0.223 3.650 1.804) 4.078 =================== 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 3/32256 10.0 394.379 555.477 736.033 0.000 -226.645 0.000 3/32256 20.0 97.352 162.745 173.839 0.000 -52.332 0.000 3/32256 30.0 40.972 71.286 74.362 0.000 -20.170 0.000 3/32256 40.0 23.763 41.369 42.535 0.000 -10.890 0.000 3/32256 50.0 16.016 27.798 28.294 0.000 -6.971 0.000 3/32256 60.0 11.787 20.410 20.620 0.000 -4.943 0.000 3/32256 70.0 9.202 15.905 15.978 0.000 -3.749 0.000 3/32256 80.0 7.496 12.934 12.937 0.000 -2.983 0.000 3/32256 90.0 6.304 10.856 10.823 0.000 -2.459 0.000 3/32256 100.0 5.433 9.336 9.285 0.000 -2.081 0.000 3/32256 110.0 4.773 8.183 8.125 0.000 -1.799 0.000 3/32256 120.0 4.259 7.282 7.222 0.000 -1.581 0.000 3/32256 130.0 3.848 6.562 6.502 0.000 -1.408 0.000 3/32256 140.0 3.513 5.974 5.916 0.000 -1.267 0.000 3/32256 150.0 3.234 5.485 5.430 0.000 -1.151 0.000 3/32256 160.0 3.000 5.073 5.021 0.000 -1.054 0.000 3/32256 170.0 2.799 4.721 4.672 0.000 -0.972 0.000 3/32256 180.0 2.625 4.417 4.371 0.000 -0.901 0.000 3/32256 190.0 2.474 4.153 4.108 0.000 -0.839 0.000 3/32256 200.0 2.340 3.919 3.877 0.000 -0.786 0.000 3/32256 210.0 2.221 3.713 3.673 0.000 -0.738 0.000 3/32256 220.0 2.115 3.528 3.490 0.000 -0.696 0.000 3/32256 230.0 2.019 3.363 3.326 0.000 -0.658 0.000 3/32256 240.0 1.933 3.213 3.177 0.000 -0.624 0.000 3/32256 250.0 1.854 3.077 3.042 0.000 -0.593 0.000 3/32256 260.0 1.781 2.954 2.919 0.000 -0.566 0.000 3/32256 270.0 1.715 2.840 2.807 0.000 -0.540 0.000 3/32256 280.0 1.654 2.736 2.703 0.000 -0.517 0.000 3/32256 290.0 1.597 2.640 2.607 0.000 -0.496 0.000 3/32256 300.0 1.544 2.550 2.518 0.000 -0.476 0.000 3/32256 310.0 1.495 2.468 2.435 0.000 -0.458 0.000 3/32256 320.0 1.449 2.390 2.358 0.000 -0.441 0.000 3/32256 330.0 1.406 2.318 2.286 0.000 -0.426 0.000 3/32256 340.0 1.366 2.251 2.219 0.000 -0.411 0.000 3/32256 350.0 1.327 2.187 2.155 0.000 -0.398 0.000 3/32256 360.0 1.292 2.127 2.096 0.000 -0.385 0.000 3/32256 370.0 1.258 2.071 2.039 0.000 -0.373 0.000 3/32256 380.0 1.226 2.018 1.986 0.000 -0.362 0.000 3/32256 390.0 1.195 1.967 1.936 0.000 -0.351 0.000 3/32256 400.0 1.166 1.920 1.888 0.000 -0.342 0.000 3/32256 410.0 1.139 1.874 1.842 0.000 -0.332 0.000 3/32256 420.0 1.112 1.831 1.799 0.000 -0.323 0.000 3/32256 430.0 1.087 1.790 1.758 0.000 -0.315 0.000 3/32256 440.0 1.064 1.751 1.719 0.000 -0.307 0.000 3/32256 450.0 1.041 1.713 1.681 0.000 -0.299 0.000 3/32256 460.0 1.019 1.677 1.646 0.000 -0.292 0.000 3/32256 470.0 0.998 1.643 1.611 0.000 -0.285 0.000 3/32256 480.0 0.978 1.610 1.578 0.000 -0.279 0.000 3/32256 490.0 0.959 1.579 1.547 0.000 -0.273 0.000 3/32256 500.0 0.940 1.548 1.517 0.000 -0.267 0.000 3/32256 510.0 0.922 1.519 1.488 0.000 -0.261 0.000 3/32256 520.0 0.905 1.491 1.460 0.000 -0.256 0.000 3/32256 530.0 0.889 1.464 1.433 0.000 -0.250 0.000 3/32256 540.0 0.873 1.438 1.407 0.000 -0.245 0.000 3/32256 550.0 0.858 1.413 1.382 0.000 -0.240 0.000 3/32256 560.0 0.843 1.389 1.358 0.000 -0.236 0.000 3/32256 570.0 0.828 1.366 1.334 0.000 -0.231 0.000 3/32256 580.0 0.815 1.343 1.312 0.000 -0.227 0.000 3/32256 590.0 0.801 1.321 1.290 0.000 -0.223 0.000 3/32256 600.0 0.788 1.300 1.269 0.000 -0.219 0.000 3/32256 610.0 0.776 1.280 1.249 0.000 -0.215 0.000 3/32256 620.0 0.764 1.260 1.229 0.000 -0.212 0.000 3/32256 630.0 0.752 1.241 1.210 0.000 -0.208 0.000 3/32256 640.0 0.740 1.222 1.192 0.000 -0.205 0.000 3/32256 650.0 0.729 1.204 1.174 0.000 -0.201 0.000 3/32256 660.0 0.719 1.186 1.156 0.000 -0.198 0.000 3/32256 670.0 0.708 1.169 1.140 0.000 -0.195 0.000 3/32256 680.0 0.698 1.153 1.123 0.000 -0.192 0.000 3/32256 690.0 0.688 1.137 1.107 0.000 -0.189 0.000 3/32256 700.0 0.679 1.121 1.092 0.000 -0.186 0.000 3/32256 710.0 0.669 1.106 1.077 0.000 -0.183 0.000 3/32256 720.0 0.660 1.091 1.062 0.000 -0.181 0.000 3/32256 730.0 0.652 1.077 1.048 0.000 -0.178 0.000 3/32256 740.0 0.643 1.063 1.034 0.000 -0.176 0.000 3/32256 750.0 0.635 1.049 1.020 0.000 -0.173 0.000 3/32256 760.0 0.627 1.036 1.007 0.000 -0.171 0.000 3/32256 770.0 0.619 1.023 0.995 0.000 -0.168 0.000 3/32256 780.0 0.611 1.010 0.982 0.000 -0.166 0.000 3/32256 790.0 0.603 0.998 0.970 0.000 -0.164 0.000 3/32256 800.0 0.596 0.986 0.958 0.000 -0.162 0.000 3/32256 810.0 0.589 0.974 0.946 0.000 -0.160 0.000 3/32256 820.0 0.582 0.962 0.935 0.000 -0.158 0.000 3/32256 830.0 0.575 0.951 0.924 0.000 -0.156 0.000 3/32256 840.0 0.568 0.940 0.913 0.000 -0.154 0.000 3/32256 850.0 0.562 0.929 0.903 0.000 -0.152 0.000 3/32256 860.0 0.555 0.919 0.892 0.000 -0.150 0.000 3/32256 870.0 0.549 0.909 0.882 0.000 -0.148 0.000 3/32256 880.0 0.543 0.899 0.872 0.000 -0.147 0.000 3/32256 890.0 0.537 0.889 0.863 0.000 -0.145 0.000 3/32256 900.0 0.531 0.879 0.853 0.000 -0.143 0.000 3/32256 910.0 0.525 0.870 0.844 0.000 -0.142 0.000 3/32256 920.0 0.520 0.861 0.835 0.000 -0.140 0.000 3/32256 930.0 0.514 0.852 0.826 0.000 -0.138 0.000 3/32256 940.0 0.509 0.843 0.818 0.000 -0.137 0.000 3/32256 950.0 0.504 0.834 0.809 0.000 -0.135 0.000 3/32256 960.0 0.498 0.826 0.801 0.000 -0.134 0.000 3/32256 970.0 0.493 0.818 0.793 0.000 -0.133 0.000 3/32256 980.0 0.489 0.809 0.785 0.000 -0.131 0.000 3/32256 990.0 0.484 0.802 0.777 0.000 -0.130 0.000 3/32256 1000.0 0.479 0.794 0.769 0.000 -0.128 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m678.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:58:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|