# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/43c3a9b1-671c-4c7e-94f6-c5801b4fdb23/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for MnAg4(SbS3)2 / P2_1/c (14) / materials id 6637](https://mdr.nims.go.jp/datasets/b744118d-9a97-4985-a99b-9ccf1abc2933) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 21:51:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] 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 6.328286460673267 0.000000000000000 0.000000000000000 b 0.000000000000000 7.610566079999999 0.000000000000000 c -6.054642939123045 0.000000000000000 10.131303764291987Atomic positions (fractional): *1 S 0.40588664166713 0.09321624386562 0.79762315877961 32.065 *2 S 0.75737580091594 0.23225758338097 0.10007647101291 32.065 3 S 0.59411335833287 0.59321624386561 0.70237684122039 32.065 4 S 0.59411335833287 0.90678375613439 0.20237684122039 32.065 5 S 0.40588664166713 0.40678375613439 0.29762315877961 32.065 *6 S 0.79874892171795 0.83562791328808 0.99985640535395 32.065 7 S 0.20125107828205 0.33562791328808 0.50014359464605 32.065 8 S 0.20125107828205 0.16437208671192 0.00014359464605 32.065 9 S 0.79874892171795 0.66437208671192 0.49985640535395 32.065 10 S 0.75737580091594 0.26774241661903 0.60007647101291 32.065 11 S 0.24262419908406 0.76774241661903 0.89992352898709 32.065 12 S 0.24262419908406 0.73225758338097 0.39992352898709 32.065 *13 Mn 0.50000000000000 0.50000000000000 0.50000000000000 54.938 14 Mn 0.50000000000000 0.00000000000000 0.00000000000000 54.938 *15 Ag 0.24341072591671 0.02158761903968 0.48271605636965 107.868 16 Ag 0.24341072591671 0.47841238096032 0.98271605636965 107.868 17 Ag 0.75658927408329 0.97841238096032 0.51728394363035 107.868 *18 Ag 0.77215768151908 0.29161228248093 0.82691140937110 107.868 19 Ag 0.22784231848092 0.79161228248093 0.67308859062890 107.868 20 Ag 0.22784231848092 0.70838771751907 0.17308859062890 107.868 21 Ag 0.77215768151908 0.20838771751907 0.32691140937110 107.868 22 Ag 0.75658927408329 0.52158761903968 0.01728394363035 107.868 *23 Sb 0.81304905725529 0.88240482935814 0.78912396904807 121.760 24 Sb 0.81304905725529 0.61759517064186 0.28912396904807 121.760 25 Sb 0.18695094274471 0.11759517064186 0.21087603095193 121.760 26 Sb 0.18695094274471 0.38240482935814 0.71087603095193 121.760-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.328286460673267 0.000000000000000 0.000000000000000 b 0.000000000000000 7.610566079999999 0.000000000000000 c -6.054642939123045 0.000000000000000 10.131303764291987Atomic positions (fractional): *1 S 0.40588664166713 0.09321624386562 0.79762315877961 32.065 > 1 *2 S 0.75737580091594 0.23225758338097 0.10007647101291 32.065 > 2 3 S 0.59411335833287 0.59321624386561 0.70237684122039 32.065 > 3 4 S 0.59411335833287 0.90678375613439 0.20237684122039 32.065 > 4 5 S 0.40588664166713 0.40678375613439 0.29762315877961 32.065 > 5 *6 S 0.79874892171795 0.83562791328808 0.99985640535395 32.065 > 6 7 S 0.20125107828205 0.33562791328808 0.50014359464605 32.065 > 7 8 S 0.20125107828205 0.16437208671192 0.00014359464605 32.065 > 8 9 S 0.79874892171795 0.66437208671192 0.49985640535395 32.065 > 9 10 S 0.75737580091594 0.26774241661903 0.60007647101291 32.065 > 10 11 S 0.24262419908406 0.76774241661903 0.89992352898709 32.065 > 11 12 S 0.24262419908406 0.73225758338097 0.39992352898709 32.065 > 12 *13 Mn 0.50000000000000 0.50000000000000 0.50000000000000 54.938 > 13 14 Mn 0.50000000000000 0.00000000000000 0.00000000000000 54.938 > 14 *15 Ag 0.24341072591671 0.02158761903968 0.48271605636965 107.868 > 15 16 Ag 0.24341072591671 0.47841238096032 0.98271605636965 107.868 > 16 17 Ag 0.75658927408329 0.97841238096032 0.51728394363035 107.868 > 17 *18 Ag 0.77215768151908 0.29161228248093 0.82691140937110 107.868 > 18 19 Ag 0.22784231848092 0.79161228248093 0.67308859062890 107.868 > 19 20 Ag 0.22784231848092 0.70838771751907 0.17308859062890 107.868 > 20 21 Ag 0.77215768151908 0.20838771751907 0.32691140937110 107.868 > 21 22 Ag 0.75658927408329 0.52158761903968 0.01728394363035 107.868 > 22 *23 Sb 0.81304905725529 0.88240482935814 0.78912396904807 121.760 > 23 24 Sb 0.81304905725529 0.61759517064186 0.28912396904807 121.760 > 24 25 Sb 0.18695094274471 0.11759517064186 0.21087603095193 121.760 > 25 26 Sb 0.18695094274471 0.38240482935814 0.71087603095193 121.760 > 26-------------------------------- super cell --------------------------------Lattice vectors: a 12.656572921346534 0.000000000000000 0.000000000000000 b 0.000000000000000 15.221132159999998 0.000000000000000 c -6.054642939123045 0.000000000000000 10.131303764291987Atomic positions (fractional): *1 S 0.20294332083357 0.04660812193281 0.79762315877961 32.065 > 1 2 S 0.70294332083357 0.04660812193281 0.79762315877961 32.065 > 1 3 S 0.20294332083357 0.54660812193281 0.79762315877961 32.065 > 1 4 S 0.70294332083357 0.54660812193281 0.79762315877961 32.065 > 1 *5 S 0.37868790045797 0.11612879169049 0.10007647101291 32.065 > 2 6 S 0.87868790045797 0.11612879169049 0.10007647101291 32.065 > 2 7 S 0.37868790045797 0.61612879169049 0.10007647101291 32.065 > 2 8 S 0.87868790045797 0.61612879169049 0.10007647101291 32.065 > 2 9 S 0.29705667916643 0.29660812193281 0.70237684122039 32.065 > 3 10 S 0.79705667916643 0.29660812193281 0.70237684122039 32.065 > 3 11 S 0.29705667916643 0.79660812193281 0.70237684122039 32.065 > 3 12 S 0.79705667916643 0.79660812193281 0.70237684122039 32.065 > 3 13 S 0.29705667916643 0.45339187806719 0.20237684122039 32.065 > 4 14 S 0.79705667916643 0.45339187806719 0.20237684122039 32.065 > 4 15 S 0.29705667916643 0.95339187806719 0.20237684122039 32.065 > 4 16 S 0.79705667916643 0.95339187806719 0.20237684122039 32.065 > 4 17 S 0.20294332083357 0.20339187806719 0.29762315877961 32.065 > 5 18 S 0.70294332083357 0.20339187806719 0.29762315877961 32.065 > 5 19 S 0.20294332083357 0.70339187806719 0.29762315877961 32.065 > 5 20 S 0.70294332083357 0.70339187806719 0.29762315877961 32.065 > 5 *21 S 0.39937446085898 0.41781395664404 0.99985640535395 32.065 > 6 22 S 0.89937446085898 0.41781395664404 0.99985640535395 32.065 > 6 23 S 0.39937446085898 0.91781395664404 0.99985640535395 32.065 > 6 24 S 0.89937446085898 0.91781395664404 0.99985640535395 32.065 > 6 25 S 0.10062553914102 0.16781395664404 0.50014359464605 32.065 > 7 26 S 0.60062553914102 0.16781395664404 0.50014359464605 32.065 > 7 27 S 0.10062553914102 0.66781395664404 0.50014359464605 32.065 > 7 28 S 0.60062553914102 0.66781395664404 0.50014359464605 32.065 > 7 29 S 0.10062553914102 0.08218604335596 0.00014359464605 32.065 > 8 30 S 0.60062553914102 0.08218604335596 0.00014359464605 32.065 > 8 31 S 0.10062553914102 0.58218604335596 0.00014359464605 32.065 > 8 32 S 0.60062553914102 0.58218604335596 0.00014359464605 32.065 > 8 33 S 0.39937446085898 0.33218604335596 0.49985640535395 32.065 > 9 34 S 0.89937446085898 0.33218604335596 0.49985640535395 32.065 > 9 35 S 0.39937446085898 0.83218604335596 0.49985640535395 32.065 > 9 36 S 0.89937446085898 0.83218604335596 0.49985640535395 32.065 > 9 37 S 0.37868790045797 0.13387120830951 0.60007647101291 32.065 > 10 38 S 0.87868790045797 0.13387120830951 0.60007647101291 32.065 > 10 39 S 0.37868790045797 0.63387120830951 0.60007647101291 32.065 > 10 40 S 0.87868790045797 0.63387120830951 0.60007647101291 32.065 > 10 41 S 0.12131209954203 0.38387120830951 0.89992352898709 32.065 > 11 42 S 0.62131209954203 0.38387120830951 0.89992352898709 32.065 > 11 43 S 0.12131209954203 0.88387120830951 0.89992352898709 32.065 > 11 44 S 0.62131209954203 0.88387120830951 0.89992352898709 32.065 > 11 45 S 0.12131209954203 0.36612879169049 0.39992352898709 32.065 > 12 46 S 0.62131209954203 0.36612879169049 0.39992352898709 32.065 > 12 47 S 0.12131209954203 0.86612879169049 0.39992352898709 32.065 > 12 48 S 0.62131209954203 0.86612879169049 0.39992352898709 32.065 > 12 *49 Mn 0.25000000000000 0.25000000000000 0.50000000000000 54.938 > 13 50 Mn 0.75000000000000 0.25000000000000 0.50000000000000 54.938 > 13 51 Mn 0.25000000000000 0.75000000000000 0.50000000000000 54.938 > 13 52 Mn 0.75000000000000 0.75000000000000 0.50000000000000 54.938 > 13 53 Mn 0.25000000000000 0.00000000000000 0.00000000000000 54.938 > 14 54 Mn 0.75000000000000 0.00000000000000 0.00000000000000 54.938 > 14 55 Mn 0.25000000000000 0.50000000000000 0.00000000000000 54.938 > 14 56 Mn 0.75000000000000 0.50000000000000 0.00000000000000 54.938 > 14 *57 Ag 0.12170536295836 0.01079380951984 0.48271605636965 107.868 > 15 58 Ag 0.62170536295836 0.01079380951984 0.48271605636965 107.868 > 15 59 Ag 0.12170536295836 0.51079380951984 0.48271605636965 107.868 > 15 60 Ag 0.62170536295836 0.51079380951984 0.48271605636965 107.868 > 15 61 Ag 0.12170536295836 0.23920619048016 0.98271605636965 107.868 > 16 62 Ag 0.62170536295836 0.23920619048016 0.98271605636965 107.868 > 16 63 Ag 0.12170536295836 0.73920619048016 0.98271605636965 107.868 > 16 64 Ag 0.62170536295836 0.73920619048016 0.98271605636965 107.868 > 16 65 Ag 0.37829463704164 0.48920619048016 0.51728394363035 107.868 > 17 66 Ag 0.87829463704164 0.48920619048016 0.51728394363035 107.868 > 17 67 Ag 0.37829463704164 0.98920619048016 0.51728394363035 107.868 > 17 68 Ag 0.87829463704164 0.98920619048016 0.51728394363035 107.868 > 17 *69 Ag 0.38607884075954 0.14580614124047 0.82691140937110 107.868 > 18 70 Ag 0.88607884075954 0.14580614124047 0.82691140937110 107.868 > 18 71 Ag 0.38607884075954 0.64580614124047 0.82691140937110 107.868 > 18 72 Ag 0.88607884075954 0.64580614124047 0.82691140937110 107.868 > 18 73 Ag 0.11392115924046 0.39580614124047 0.67308859062890 107.868 > 19 74 Ag 0.61392115924046 0.39580614124047 0.67308859062890 107.868 > 19 75 Ag 0.11392115924046 0.89580614124047 0.67308859062890 107.868 > 19 76 Ag 0.61392115924046 0.89580614124047 0.67308859062890 107.868 > 19 77 Ag 0.11392115924046 0.35419385875953 0.17308859062890 107.868 > 20 78 Ag 0.61392115924046 0.35419385875953 0.17308859062890 107.868 > 20 79 Ag 0.11392115924046 0.85419385875953 0.17308859062890 107.868 > 20 80 Ag 0.61392115924046 0.85419385875953 0.17308859062890 107.868 > 20 81 Ag 0.38607884075954 0.10419385875953 0.32691140937110 107.868 > 21 82 Ag 0.88607884075954 0.10419385875953 0.32691140937110 107.868 > 21 83 Ag 0.38607884075954 0.60419385875953 0.32691140937110 107.868 > 21 84 Ag 0.88607884075954 0.60419385875953 0.32691140937110 107.868 > 21 85 Ag 0.37829463704164 0.26079380951984 0.01728394363035 107.868 > 22 86 Ag 0.87829463704164 0.26079380951984 0.01728394363035 107.868 > 22 87 Ag 0.37829463704164 0.76079380951984 0.01728394363035 107.868 > 22 88 Ag 0.87829463704164 0.76079380951984 0.01728394363035 107.868 > 22 *89 Sb 0.40652452862764 0.44120241467907 0.78912396904807 121.760 > 23 90 Sb 0.90652452862764 0.44120241467907 0.78912396904807 121.760 > 23 91 Sb 0.40652452862764 0.94120241467907 0.78912396904807 121.760 > 23 92 Sb 0.90652452862764 0.94120241467907 0.78912396904807 121.760 > 23 93 Sb 0.40652452862764 0.30879758532093 0.28912396904807 121.760 > 24 94 Sb 0.90652452862764 0.30879758532093 0.28912396904807 121.760 > 24 95 Sb 0.40652452862764 0.80879758532093 0.28912396904807 121.760 > 24 96 Sb 0.90652452862764 0.80879758532093 0.28912396904807 121.760 > 24 97 Sb 0.09347547137236 0.05879758532093 0.21087603095193 121.760 > 25 98 Sb 0.59347547137236 0.05879758532093 0.21087603095193 121.760 > 25 99 Sb 0.09347547137236 0.55879758532093 0.21087603095193 121.760 > 25 100 Sb 0.59347547137236 0.55879758532093 0.21087603095193 121.760 > 25 101 Sb 0.09347547137236 0.19120241467907 0.71087603095193 121.760 > 26 102 Sb 0.59347547137236 0.19120241467907 0.71087603095193 121.760 > 26 103 Sb 0.09347547137236 0.69120241467907 0.71087603095193 121.760 > 26 104 Sb 0.59347547137236 0.69120241467907 0.71087603095193 121.760 > 26----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 1006.6020850 0.0000000 -161.1113923 0.0000000 63.4813232 0.0000000 -161.0916483 0.0000000 98.7322712-------------------------- Born effective charges -------------------------- 1 S -15.1510843 15.2721671 -8.2772035 0.1897611 -1.6481083 -0.6833045 2.0986321 -3.1299959 1.0255847 2 S -2.8987180 -1.2129647 7.7528939 0.9061589 -0.6987578 0.5883761 0.9306103 0.9944245 -3.3477256 3 S -15.1510843 -15.2721671 -8.2772035 -0.1897611 -1.6481083 0.6833045 2.0986321 3.1299959 1.0255847 4 S -15.1510843 15.2721671 -8.2772035 0.1897611 -1.6481083 -0.6833045 2.0986321 -3.1299959 1.0255847 5 S -15.1510843 -15.2721671 -8.2772035 -0.1897611 -1.6481083 0.6833045 2.0986321 3.1299959 1.0255847 6 S 6.1725685 -4.3875207 2.2822988 -0.7148365 -1.2226873 -1.2006479 -1.0524320 0.1778327 -2.1770070 7 S 6.1725685 4.3875207 2.2822988 0.7148365 -1.2226873 1.2006479 -1.0524320 -0.1778327 -2.1770070 8 S 6.1725685 -4.3875207 2.2822988 -0.7148365 -1.2226873 -1.2006479 -1.0524320 0.1778327 -2.1770070 9 S 6.1725685 4.3875207 2.2822988 0.7148365 -1.2226873 1.2006479 -1.0524320 -0.1778327 -2.1770070 10 S -2.8987180 1.2129647 7.7528939 -0.9061589 -0.6987578 -0.5883761 0.9306103 -0.9944245 -3.3477256 11 S -2.8987180 -1.2129647 7.7528939 0.9061589 -0.6987578 0.5883761 0.9306103 0.9944245 -3.3477256 12 S -2.8987180 1.2129647 7.7528939 -0.9061589 -0.6987578 -0.5883761 0.9306103 -0.9944245 -3.3477256 13 Mn 8.7581805 9.2979643 -6.4301903 -2.7378823 -4.1351014 -4.8139886 -2.7998754 -1.7698766 0.7308573 14 Mn 8.7581805 -9.2979643 -6.4301903 2.7378823 -4.1351014 4.8139886 -2.7998754 1.7698766 0.7308573 15 Ag 0.7120378 -0.8305094 -0.2917486 -0.0642286 0.9998090 -0.0743917 -0.3106783 0.3098221 1.1811058 16 Ag 0.7120378 0.8305094 -0.2917486 0.0642286 0.9998090 0.0743917 -0.3106783 -0.3098221 1.1811058 17 Ag 0.7120378 -0.8305094 -0.2917486 -0.0642286 0.9998090 -0.0743917 -0.3106783 0.3098221 1.1811058 18 Ag 1.5651554 -0.2002599 0.2986596 0.2136498 0.5628277 -0.3529542 -0.3511069 -0.3367486 1.2308853 19 Ag 1.5651554 0.2002599 0.2986596 -0.2136498 0.5628277 0.3529542 -0.3511069 0.3367486 1.2308853 20 Ag 1.5651554 -0.2002599 0.2986596 0.2136498 0.5628277 -0.3529542 -0.3511069 -0.3367486 1.2308853 21 Ag 1.5651554 0.2002599 0.2986596 -0.2136498 0.5628277 0.3529542 -0.3511069 0.3367486 1.2308853 22 Ag 0.7120378 0.8305094 -0.2917486 0.0642286 0.9998090 0.0743917 -0.3106783 -0.3098221 1.1811058 23 Sb 5.2209503 6.5791839 1.4501949 -1.1599092 4.0744675 0.8280122 0.0849125 -0.8767441 1.7217280 24 Sb 5.2209503 -6.5791839 1.4501949 1.1599092 4.0744675 -0.8280122 0.0849125 0.8767441 1.7217280 25 Sb 5.2209503 6.5791839 1.4501949 -1.1599092 4.0744675 0.8280122 0.0849125 -0.8767441 1.7217280 26 Sb 5.2209503 -6.5791839 1.4501949 1.1599092 4.0744675 -0.8280122 0.0849125 0.8767441 1.7217280----------------------------------------------------------------------------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: 312/312Permutation basis: 12480/12480Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3168Number of blocks in projector: 3168Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 678Use submatrix version of eigh solver.(1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 678 / 678(1) 164 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 678Use submatrix version of eigh solver.(1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 678 / 678(1) 164 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 678Use submatrix version of eigh solver.(1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 678 / 678(1) 171 eigenvectors found.(1) Complementary block size: 20(1) Compute compressed projector.(1) Use standard solver.(1) 7 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 378Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 378Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 378Use standard eigh solver.Tree of FC basis block matrices:- (3168, 3106), data: False|-- (378, 371), data: True|-- (378, 371), data: True|-- (378, 371), data: True|-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True|-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True-----Solver_atoms: 1 -- 104 / 104Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 800 - Time: 0.952Solver_block: 200 / 800 - Time: 0.835Solver_block: 300 / 800 - Time: 0.992Solver_block: 400 / 800 - Time: 1.177Solver_block: 500 / 800 - Time: 0.752Solver_block: 600 / 800 - Time: 0.791Solver_block: 700 / 800 - Time: 0.960Solver_block: 800 / 800 - Time: 1.131Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.862--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 312/312Permutation basis: 12480/12480Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3168Number of blocks in projector: 3168Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 678Use submatrix version of eigh solver.(1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 678 / 678(1) 164 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 678Use submatrix version of eigh solver.(1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 678 / 678(1) 164 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 678Use submatrix version of eigh solver.(1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 678 / 678(1) 171 eigenvectors found.(1) Complementary block size: 20(1) Compute compressed projector.(1) Use standard solver.(1) 7 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 378Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 378Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 378Use standard eigh solver.Tree of FC basis block matrices:- (3168, 3106), data: False|-- (378, 371), data: True|-- (378, 371), data: True|-- (378, 371), data: True|-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True|-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 21:52:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:52:20]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.328286460673267 0.000000000000000 0.000000000000000 b 0.000000000000000 7.610566079999999 0.000000000000000 c -6.054642939123045 0.000000000000000 10.131303764291987Atomic positions (fractional): 1 S 0.40588664166713 0.09321624386562 0.79762315877961 32.065 2 S 0.75737580091594 0.23225758338097 0.10007647101291 32.065 3 S 0.59411335833287 0.59321624386561 0.70237684122039 32.065 4 S 0.59411335833287 0.90678375613439 0.20237684122039 32.065 5 S 0.40588664166713 0.40678375613439 0.29762315877961 32.065 6 S 0.79874892171795 0.83562791328808 0.99985640535395 32.065 7 S 0.20125107828205 0.33562791328808 0.50014359464605 32.065 8 S 0.20125107828205 0.16437208671192 0.00014359464605 32.065 9 S 0.79874892171795 0.66437208671192 0.49985640535395 32.065 10 S 0.75737580091594 0.26774241661903 0.60007647101291 32.065 11 S 0.24262419908406 0.76774241661903 0.89992352898709 32.065 12 S 0.24262419908406 0.73225758338097 0.39992352898709 32.065 13 Mn 0.50000000000000 0.50000000000000 0.50000000000000 54.938 14 Mn 0.50000000000000 0.00000000000000 0.00000000000000 54.938 15 Ag 0.24341072591671 0.02158761903968 0.48271605636965 107.868 16 Ag 0.24341072591671 0.47841238096032 0.98271605636965 107.868 17 Ag 0.75658927408329 0.97841238096032 0.51728394363035 107.868 18 Ag 0.77215768151908 0.29161228248093 0.82691140937110 107.868 19 Ag 0.22784231848092 0.79161228248093 0.67308859062890 107.868 20 Ag 0.22784231848092 0.70838771751907 0.17308859062890 107.868 21 Ag 0.77215768151908 0.20838771751907 0.32691140937110 107.868 22 Ag 0.75658927408329 0.52158761903968 0.01728394363035 107.868 23 Sb 0.81304905725529 0.88240482935814 0.78912396904807 121.760 24 Sb 0.81304905725529 0.61759517064186 0.28912396904807 121.760 25 Sb 0.18695094274471 0.11759517064186 0.21087603095193 121.760 26 Sb 0.18695094274471 0.38240482935814 0.71087603095193 121.760-------------------------------- supercell ---------------------------------Lattice vectors: a 12.656572921346534 0.000000000000000 0.000000000000000 b 0.000000000000000 15.221132159999998 0.000000000000000 c -6.054642939123045 0.000000000000000 10.131303764291987Atomic positions (fractional): 1 S 0.20294332083357 0.04660812193281 0.79762315877961 32.065 > 1 2 S 0.70294332083357 0.04660812193281 0.79762315877961 32.065 > 1 3 S 0.20294332083357 0.54660812193281 0.79762315877961 32.065 > 1 4 S 0.70294332083357 0.54660812193281 0.79762315877961 32.065 > 1 5 S 0.37868790045797 0.11612879169049 0.10007647101291 32.065 > 5 6 S 0.87868790045797 0.11612879169049 0.10007647101291 32.065 > 5 7 S 0.37868790045797 0.61612879169049 0.10007647101291 32.065 > 5 8 S 0.87868790045797 0.61612879169049 0.10007647101291 32.065 > 5 9 S 0.29705667916643 0.29660812193281 0.70237684122039 32.065 > 9 10 S 0.79705667916643 0.29660812193281 0.70237684122039 32.065 > 9 11 S 0.29705667916643 0.79660812193281 0.70237684122039 32.065 > 9 12 S 0.79705667916643 0.79660812193281 0.70237684122039 32.065 > 9 13 S 0.29705667916643 0.45339187806719 0.20237684122039 32.065 > 13 14 S 0.79705667916643 0.45339187806719 0.20237684122039 32.065 > 13 15 S 0.29705667916643 0.95339187806719 0.20237684122039 32.065 > 13 16 S 0.79705667916643 0.95339187806719 0.20237684122039 32.065 > 13 17 S 0.20294332083357 0.20339187806719 0.29762315877961 32.065 > 17 18 S 0.70294332083357 0.20339187806719 0.29762315877961 32.065 > 17 19 S 0.20294332083357 0.70339187806719 0.29762315877961 32.065 > 17 20 S 0.70294332083357 0.70339187806719 0.29762315877961 32.065 > 17 21 S 0.39937446085898 0.41781395664404 0.99985640535395 32.065 > 21 22 S 0.89937446085898 0.41781395664404 0.99985640535395 32.065 > 21 23 S 0.39937446085898 0.91781395664404 0.99985640535395 32.065 > 21 24 S 0.89937446085898 0.91781395664404 0.99985640535395 32.065 > 21 25 S 0.10062553914102 0.16781395664404 0.50014359464605 32.065 > 25 26 S 0.60062553914102 0.16781395664404 0.50014359464605 32.065 > 25 27 S 0.10062553914102 0.66781395664404 0.50014359464605 32.065 > 25 28 S 0.60062553914102 0.66781395664404 0.50014359464605 32.065 > 25 29 S 0.10062553914102 0.08218604335596 0.00014359464605 32.065 > 29 30 S 0.60062553914102 0.08218604335596 0.00014359464605 32.065 > 29 31 S 0.10062553914102 0.58218604335596 0.00014359464605 32.065 > 29 32 S 0.60062553914102 0.58218604335596 0.00014359464605 32.065 > 29 33 S 0.39937446085898 0.33218604335596 0.49985640535395 32.065 > 33 34 S 0.89937446085898 0.33218604335596 0.49985640535395 32.065 > 33 35 S 0.39937446085898 0.83218604335596 0.49985640535395 32.065 > 33 36 S 0.89937446085898 0.83218604335596 0.49985640535395 32.065 > 33 37 S 0.37868790045797 0.13387120830951 0.60007647101291 32.065 > 37 38 S 0.87868790045797 0.13387120830951 0.60007647101291 32.065 > 37 39 S 0.37868790045797 0.63387120830951 0.60007647101291 32.065 > 37 40 S 0.87868790045797 0.63387120830951 0.60007647101291 32.065 > 37 41 S 0.12131209954203 0.38387120830951 0.89992352898709 32.065 > 41 42 S 0.62131209954203 0.38387120830951 0.89992352898709 32.065 > 41 43 S 0.12131209954203 0.88387120830951 0.89992352898709 32.065 > 41 44 S 0.62131209954203 0.88387120830951 0.89992352898709 32.065 > 41 45 S 0.12131209954203 0.36612879169049 0.39992352898709 32.065 > 45 46 S 0.62131209954203 0.36612879169049 0.39992352898709 32.065 > 45 47 S 0.12131209954203 0.86612879169049 0.39992352898709 32.065 > 45 48 S 0.62131209954203 0.86612879169049 0.39992352898709 32.065 > 45 49 Mn 0.25000000000000 0.25000000000000 0.50000000000000 54.938 > 49 50 Mn 0.75000000000000 0.25000000000000 0.50000000000000 54.938 > 49 51 Mn 0.25000000000000 0.75000000000000 0.50000000000000 54.938 > 49 52 Mn 0.75000000000000 0.75000000000000 0.50000000000000 54.938 > 49 53 Mn 0.25000000000000 0.00000000000000 0.00000000000000 54.938 > 53 54 Mn 0.75000000000000 0.00000000000000 0.00000000000000 54.938 > 53 55 Mn 0.25000000000000 0.50000000000000 0.00000000000000 54.938 > 53 56 Mn 0.75000000000000 0.50000000000000 0.00000000000000 54.938 > 53 57 Ag 0.12170536295836 0.01079380951984 0.48271605636965 107.868 > 57 58 Ag 0.62170536295836 0.01079380951984 0.48271605636965 107.868 > 57 59 Ag 0.12170536295836 0.51079380951984 0.48271605636965 107.868 > 57 60 Ag 0.62170536295836 0.51079380951984 0.48271605636965 107.868 > 57 61 Ag 0.12170536295836 0.23920619048016 0.98271605636965 107.868 > 61 62 Ag 0.62170536295836 0.23920619048016 0.98271605636965 107.868 > 61 63 Ag 0.12170536295836 0.73920619048016 0.98271605636965 107.868 > 61 64 Ag 0.62170536295836 0.73920619048016 0.98271605636965 107.868 > 61 65 Ag 0.37829463704164 0.48920619048016 0.51728394363035 107.868 > 65 66 Ag 0.87829463704164 0.48920619048016 0.51728394363035 107.868 > 65 67 Ag 0.37829463704164 0.98920619048016 0.51728394363035 107.868 > 65 68 Ag 0.87829463704164 0.98920619048016 0.51728394363035 107.868 > 65 69 Ag 0.38607884075954 0.14580614124047 0.82691140937110 107.868 > 69 70 Ag 0.88607884075954 0.14580614124047 0.82691140937110 107.868 > 69 71 Ag 0.38607884075954 0.64580614124047 0.82691140937110 107.868 > 69 72 Ag 0.88607884075954 0.64580614124047 0.82691140937110 107.868 > 69 73 Ag 0.11392115924046 0.39580614124047 0.67308859062890 107.868 > 73 74 Ag 0.61392115924046 0.39580614124047 0.67308859062890 107.868 > 73 75 Ag 0.11392115924046 0.89580614124047 0.67308859062890 107.868 > 73 76 Ag 0.61392115924046 0.89580614124047 0.67308859062890 107.868 > 73 77 Ag 0.11392115924046 0.35419385875953 0.17308859062890 107.868 > 77 78 Ag 0.61392115924046 0.35419385875953 0.17308859062890 107.868 > 77 79 Ag 0.11392115924046 0.85419385875953 0.17308859062890 107.868 > 77 80 Ag 0.61392115924046 0.85419385875953 0.17308859062890 107.868 > 77 81 Ag 0.38607884075954 0.10419385875953 0.32691140937110 107.868 > 81 82 Ag 0.88607884075954 0.10419385875953 0.32691140937110 107.868 > 81 83 Ag 0.38607884075954 0.60419385875953 0.32691140937110 107.868 > 81 84 Ag 0.88607884075954 0.60419385875953 0.32691140937110 107.868 > 81 85 Ag 0.37829463704164 0.26079380951984 0.01728394363035 107.868 > 85 86 Ag 0.87829463704164 0.26079380951984 0.01728394363035 107.868 > 85 87 Ag 0.37829463704164 0.76079380951984 0.01728394363035 107.868 > 85 88 Ag 0.87829463704164 0.76079380951984 0.01728394363035 107.868 > 85 89 Sb 0.40652452862764 0.44120241467907 0.78912396904807 121.760 > 89 90 Sb 0.90652452862764 0.44120241467907 0.78912396904807 121.760 > 89 91 Sb 0.40652452862764 0.94120241467907 0.78912396904807 121.760 > 89 92 Sb 0.90652452862764 0.94120241467907 0.78912396904807 121.760 > 89 93 Sb 0.40652452862764 0.30879758532093 0.28912396904807 121.760 > 93 94 Sb 0.90652452862764 0.30879758532093 0.28912396904807 121.760 > 93 95 Sb 0.40652452862764 0.80879758532093 0.28912396904807 121.760 > 93 96 Sb 0.90652452862764 0.80879758532093 0.28912396904807 121.760 > 93 97 Sb 0.09347547137236 0.05879758532093 0.21087603095193 121.760 > 97 98 Sb 0.59347547137236 0.05879758532093 0.21087603095193 121.760 > 97 99 Sb 0.09347547137236 0.55879758532093 0.21087603095193 121.760 > 97 100 Sb 0.59347547137236 0.55879758532093 0.21087603095193 121.760 > 97 101 Sb 0.09347547137236 0.19120241467907 0.71087603095193 121.760 > 101 102 Sb 0.59347547137236 0.19120241467907 0.71087603095193 121.760 > 101 103 Sb 0.09347547137236 0.69120241467907 0.71087603095193 121.760 > 101 104 Sb 0.59347547137236 0.69120241467907 0.71087603095193 121.760 > 101----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 1006.6020850 0.0000000 -161.1113923 0.0000000 63.4813232 0.0000000 -161.0916483 0.0000000 98.7322712-------------------------- Born effective charges -------------------------- 1 S -15.1510843 15.2721671 -8.2772035 0.1897611 -1.6481083 -0.6833045 2.0986321 -3.1299959 1.0255847 2 S -2.8987180 -1.2129647 7.7528939 0.9061589 -0.6987578 0.5883761 0.9306103 0.9944245 -3.3477256 3 S -15.1510843 -15.2721671 -8.2772035 -0.1897611 -1.6481083 0.6833045 2.0986321 3.1299959 1.0255847 4 S -15.1510843 15.2721671 -8.2772035 0.1897611 -1.6481083 -0.6833045 2.0986321 -3.1299959 1.0255847 5 S -15.1510843 -15.2721671 -8.2772035 -0.1897611 -1.6481083 0.6833045 2.0986321 3.1299959 1.0255847 6 S 6.1725685 -4.3875207 2.2822988 -0.7148365 -1.2226873 -1.2006479 -1.0524320 0.1778327 -2.1770070 7 S 6.1725685 4.3875207 2.2822988 0.7148365 -1.2226873 1.2006479 -1.0524320 -0.1778327 -2.1770070 8 S 6.1725685 -4.3875207 2.2822988 -0.7148365 -1.2226873 -1.2006479 -1.0524320 0.1778327 -2.1770070 9 S 6.1725685 4.3875207 2.2822988 0.7148365 -1.2226873 1.2006479 -1.0524320 -0.1778327 -2.1770070 10 S -2.8987180 1.2129647 7.7528939 -0.9061589 -0.6987578 -0.5883761 0.9306103 -0.9944245 -3.3477256 11 S -2.8987180 -1.2129647 7.7528939 0.9061589 -0.6987578 0.5883761 0.9306103 0.9944245 -3.3477256 12 S -2.8987180 1.2129647 7.7528939 -0.9061589 -0.6987578 -0.5883761 0.9306103 -0.9944245 -3.3477256 13 Mn 8.7581805 9.2979643 -6.4301903 -2.7378823 -4.1351014 -4.8139886 -2.7998754 -1.7698766 0.7308573 14 Mn 8.7581805 -9.2979643 -6.4301903 2.7378823 -4.1351014 4.8139886 -2.7998754 1.7698766 0.7308573 15 Ag 0.7120378 -0.8305094 -0.2917486 -0.0642286 0.9998090 -0.0743917 -0.3106783 0.3098221 1.1811058 16 Ag 0.7120378 0.8305094 -0.2917486 0.0642286 0.9998090 0.0743917 -0.3106783 -0.3098221 1.1811058 17 Ag 0.7120378 -0.8305094 -0.2917486 -0.0642286 0.9998090 -0.0743917 -0.3106783 0.3098221 1.1811058 18 Ag 1.5651554 -0.2002599 0.2986596 0.2136498 0.5628277 -0.3529542 -0.3511069 -0.3367486 1.2308853 19 Ag 1.5651554 0.2002599 0.2986596 -0.2136498 0.5628277 0.3529542 -0.3511069 0.3367486 1.2308853 20 Ag 1.5651554 -0.2002599 0.2986596 0.2136498 0.5628277 -0.3529542 -0.3511069 -0.3367486 1.2308853 21 Ag 1.5651554 0.2002599 0.2986596 -0.2136498 0.5628277 0.3529542 -0.3511069 0.3367486 1.2308853 22 Ag 0.7120378 0.8305094 -0.2917486 0.0642286 0.9998090 0.0743917 -0.3106783 -0.3098221 1.1811058 23 Sb 5.2209503 6.5791839 1.4501949 -1.1599092 4.0744675 0.8280122 0.0849125 -0.8767441 1.7217280 24 Sb 5.2209503 -6.5791839 1.4501949 1.1599092 4.0744675 -0.8280122 0.0849125 0.8767441 1.7217280 25 Sb 5.2209503 6.5791839 1.4501949 -1.1599092 4.0744675 0.8280122 0.0849125 -0.8767441 1.7217280 26 Sb 5.2209503 -6.5791839 1.4501949 1.1599092 4.0744675 -0.8280122 0.0849125 0.8767441 1.7217280----------------------------------------------------------------------------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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 5, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 21, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 69, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 89, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000031 (xz) -0.00000031 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:52:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:52:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.328286460673267 0.000000000000000 0.000000000000000 b 0.000000000000000 7.610566079999999 0.000000000000000 c -6.054642939123045 0.000000000000000 10.131303764291987Atomic positions (fractional): 1 S 0.40588664166713 0.09321624386562 0.79762315877961 32.065 2 S 0.75737580091594 0.23225758338097 0.10007647101291 32.065 3 S 0.59411335833287 0.59321624386561 0.70237684122039 32.065 4 S 0.59411335833287 0.90678375613439 0.20237684122039 32.065 5 S 0.40588664166713 0.40678375613439 0.29762315877961 32.065 6 S 0.79874892171795 0.83562791328808 0.99985640535395 32.065 7 S 0.20125107828205 0.33562791328808 0.50014359464605 32.065 8 S 0.20125107828205 0.16437208671192 0.00014359464605 32.065 9 S 0.79874892171795 0.66437208671192 0.49985640535395 32.065 10 S 0.75737580091594 0.26774241661903 0.60007647101291 32.065 11 S 0.24262419908406 0.76774241661903 0.89992352898709 32.065 12 S 0.24262419908406 0.73225758338097 0.39992352898709 32.065 13 Mn 0.50000000000000 0.50000000000000 0.50000000000000 54.938 14 Mn 0.50000000000000 0.00000000000000 0.00000000000000 54.938 15 Ag 0.24341072591671 0.02158761903968 0.48271605636965 107.868 16 Ag 0.24341072591671 0.47841238096032 0.98271605636965 107.868 17 Ag 0.75658927408329 0.97841238096032 0.51728394363035 107.868 18 Ag 0.77215768151908 0.29161228248093 0.82691140937110 107.868 19 Ag 0.22784231848092 0.79161228248093 0.67308859062890 107.868 20 Ag 0.22784231848092 0.70838771751907 0.17308859062890 107.868 21 Ag 0.77215768151908 0.20838771751907 0.32691140937110 107.868 22 Ag 0.75658927408329 0.52158761903968 0.01728394363035 107.868 23 Sb 0.81304905725529 0.88240482935814 0.78912396904807 121.760 24 Sb 0.81304905725529 0.61759517064186 0.28912396904807 121.760 25 Sb 0.18695094274471 0.11759517064186 0.21087603095193 121.760 26 Sb 0.18695094274471 0.38240482935814 0.71087603095193 121.760-------------------------------- supercell ---------------------------------Lattice vectors: a 12.656572921346534 0.000000000000000 0.000000000000000 b 0.000000000000000 15.221132159999998 0.000000000000000 c -6.054642939123045 0.000000000000000 10.131303764291987Atomic positions (fractional): 1 S 0.20294332083357 0.04660812193281 0.79762315877961 32.065 > 1 2 S 0.70294332083357 0.04660812193281 0.79762315877961 32.065 > 1 3 S 0.20294332083357 0.54660812193281 0.79762315877961 32.065 > 1 4 S 0.70294332083357 0.54660812193281 0.79762315877961 32.065 > 1 5 S 0.37868790045797 0.11612879169049 0.10007647101291 32.065 > 5 6 S 0.87868790045797 0.11612879169049 0.10007647101291 32.065 > 5 7 S 0.37868790045797 0.61612879169049 0.10007647101291 32.065 > 5 8 S 0.87868790045797 0.61612879169049 0.10007647101291 32.065 > 5 9 S 0.29705667916643 0.29660812193281 0.70237684122039 32.065 > 9 10 S 0.79705667916643 0.29660812193281 0.70237684122039 32.065 > 9 11 S 0.29705667916643 0.79660812193281 0.70237684122039 32.065 > 9 12 S 0.79705667916643 0.79660812193281 0.70237684122039 32.065 > 9 13 S 0.29705667916643 0.45339187806719 0.20237684122039 32.065 > 13 14 S 0.79705667916643 0.45339187806719 0.20237684122039 32.065 > 13 15 S 0.29705667916643 0.95339187806719 0.20237684122039 32.065 > 13 16 S 0.79705667916643 0.95339187806719 0.20237684122039 32.065 > 13 17 S 0.20294332083357 0.20339187806719 0.29762315877961 32.065 > 17 18 S 0.70294332083357 0.20339187806719 0.29762315877961 32.065 > 17 19 S 0.20294332083357 0.70339187806719 0.29762315877961 32.065 > 17 20 S 0.70294332083357 0.70339187806719 0.29762315877961 32.065 > 17 21 S 0.39937446085898 0.41781395664404 0.99985640535395 32.065 > 21 22 S 0.89937446085898 0.41781395664404 0.99985640535395 32.065 > 21 23 S 0.39937446085898 0.91781395664404 0.99985640535395 32.065 > 21 24 S 0.89937446085898 0.91781395664404 0.99985640535395 32.065 > 21 25 S 0.10062553914102 0.16781395664404 0.50014359464605 32.065 > 25 26 S 0.60062553914102 0.16781395664404 0.50014359464605 32.065 > 25 27 S 0.10062553914102 0.66781395664404 0.50014359464605 32.065 > 25 28 S 0.60062553914102 0.66781395664404 0.50014359464605 32.065 > 25 29 S 0.10062553914102 0.08218604335596 0.00014359464605 32.065 > 29 30 S 0.60062553914102 0.08218604335596 0.00014359464605 32.065 > 29 31 S 0.10062553914102 0.58218604335596 0.00014359464605 32.065 > 29 32 S 0.60062553914102 0.58218604335596 0.00014359464605 32.065 > 29 33 S 0.39937446085898 0.33218604335596 0.49985640535395 32.065 > 33 34 S 0.89937446085898 0.33218604335596 0.49985640535395 32.065 > 33 35 S 0.39937446085898 0.83218604335596 0.49985640535395 32.065 > 33 36 S 0.89937446085898 0.83218604335596 0.49985640535395 32.065 > 33 37 S 0.37868790045797 0.13387120830951 0.60007647101291 32.065 > 37 38 S 0.87868790045797 0.13387120830951 0.60007647101291 32.065 > 37 39 S 0.37868790045797 0.63387120830951 0.60007647101291 32.065 > 37 40 S 0.87868790045797 0.63387120830951 0.60007647101291 32.065 > 37 41 S 0.12131209954203 0.38387120830951 0.89992352898709 32.065 > 41 42 S 0.62131209954203 0.38387120830951 0.89992352898709 32.065 > 41 43 S 0.12131209954203 0.88387120830951 0.89992352898709 32.065 > 41 44 S 0.62131209954203 0.88387120830951 0.89992352898709 32.065 > 41 45 S 0.12131209954203 0.36612879169049 0.39992352898709 32.065 > 45 46 S 0.62131209954203 0.36612879169049 0.39992352898709 32.065 > 45 47 S 0.12131209954203 0.86612879169049 0.39992352898709 32.065 > 45 48 S 0.62131209954203 0.86612879169049 0.39992352898709 32.065 > 45 49 Mn 0.25000000000000 0.25000000000000 0.50000000000000 54.938 > 49 50 Mn 0.75000000000000 0.25000000000000 0.50000000000000 54.938 > 49 51 Mn 0.25000000000000 0.75000000000000 0.50000000000000 54.938 > 49 52 Mn 0.75000000000000 0.75000000000000 0.50000000000000 54.938 > 49 53 Mn 0.25000000000000 0.00000000000000 0.00000000000000 54.938 > 53 54 Mn 0.75000000000000 0.00000000000000 0.00000000000000 54.938 > 53 55 Mn 0.25000000000000 0.50000000000000 0.00000000000000 54.938 > 53 56 Mn 0.75000000000000 0.50000000000000 0.00000000000000 54.938 > 53 57 Ag 0.12170536295836 0.01079380951984 0.48271605636965 107.868 > 57 58 Ag 0.62170536295836 0.01079380951984 0.48271605636965 107.868 > 57 59 Ag 0.12170536295836 0.51079380951984 0.48271605636965 107.868 > 57 60 Ag 0.62170536295836 0.51079380951984 0.48271605636965 107.868 > 57 61 Ag 0.12170536295836 0.23920619048016 0.98271605636965 107.868 > 61 62 Ag 0.62170536295836 0.23920619048016 0.98271605636965 107.868 > 61 63 Ag 0.12170536295836 0.73920619048016 0.98271605636965 107.868 > 61 64 Ag 0.62170536295836 0.73920619048016 0.98271605636965 107.868 > 61 65 Ag 0.37829463704164 0.48920619048016 0.51728394363035 107.868 > 65 66 Ag 0.87829463704164 0.48920619048016 0.51728394363035 107.868 > 65 67 Ag 0.37829463704164 0.98920619048016 0.51728394363035 107.868 > 65 68 Ag 0.87829463704164 0.98920619048016 0.51728394363035 107.868 > 65 69 Ag 0.38607884075954 0.14580614124047 0.82691140937110 107.868 > 69 70 Ag 0.88607884075954 0.14580614124047 0.82691140937110 107.868 > 69 71 Ag 0.38607884075954 0.64580614124047 0.82691140937110 107.868 > 69 72 Ag 0.88607884075954 0.64580614124047 0.82691140937110 107.868 > 69 73 Ag 0.11392115924046 0.39580614124047 0.67308859062890 107.868 > 73 74 Ag 0.61392115924046 0.39580614124047 0.67308859062890 107.868 > 73 75 Ag 0.11392115924046 0.89580614124047 0.67308859062890 107.868 > 73 76 Ag 0.61392115924046 0.89580614124047 0.67308859062890 107.868 > 73 77 Ag 0.11392115924046 0.35419385875953 0.17308859062890 107.868 > 77 78 Ag 0.61392115924046 0.35419385875953 0.17308859062890 107.868 > 77 79 Ag 0.11392115924046 0.85419385875953 0.17308859062890 107.868 > 77 80 Ag 0.61392115924046 0.85419385875953 0.17308859062890 107.868 > 77 81 Ag 0.38607884075954 0.10419385875953 0.32691140937110 107.868 > 81 82 Ag 0.88607884075954 0.10419385875953 0.32691140937110 107.868 > 81 83 Ag 0.38607884075954 0.60419385875953 0.32691140937110 107.868 > 81 84 Ag 0.88607884075954 0.60419385875953 0.32691140937110 107.868 > 81 85 Ag 0.37829463704164 0.26079380951984 0.01728394363035 107.868 > 85 86 Ag 0.87829463704164 0.26079380951984 0.01728394363035 107.868 > 85 87 Ag 0.37829463704164 0.76079380951984 0.01728394363035 107.868 > 85 88 Ag 0.87829463704164 0.76079380951984 0.01728394363035 107.868 > 85 89 Sb 0.40652452862764 0.44120241467907 0.78912396904807 121.760 > 89 90 Sb 0.90652452862764 0.44120241467907 0.78912396904807 121.760 > 89 91 Sb 0.40652452862764 0.94120241467907 0.78912396904807 121.760 > 89 92 Sb 0.90652452862764 0.94120241467907 0.78912396904807 121.760 > 89 93 Sb 0.40652452862764 0.30879758532093 0.28912396904807 121.760 > 93 94 Sb 0.90652452862764 0.30879758532093 0.28912396904807 121.760 > 93 95 Sb 0.40652452862764 0.80879758532093 0.28912396904807 121.760 > 93 96 Sb 0.90652452862764 0.80879758532093 0.28912396904807 121.760 > 93 97 Sb 0.09347547137236 0.05879758532093 0.21087603095193 121.760 > 97 98 Sb 0.59347547137236 0.05879758532093 0.21087603095193 121.760 > 97 99 Sb 0.09347547137236 0.55879758532093 0.21087603095193 121.760 > 97 100 Sb 0.59347547137236 0.55879758532093 0.21087603095193 121.760 > 97 101 Sb 0.09347547137236 0.19120241467907 0.71087603095193 121.760 > 101 102 Sb 0.59347547137236 0.19120241467907 0.71087603095193 121.760 > 101 103 Sb 0.09347547137236 0.69120241467907 0.71087603095193 121.760 > 101 104 Sb 0.59347547137236 0.69120241467907 0.71087603095193 121.760 > 101----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 1006.6020850 0.0000000 -161.1113923 0.0000000 63.4813232 0.0000000 -161.0916483 0.0000000 98.7322712-------------------------- Born effective charges -------------------------- 1 S -15.1510843 15.2721671 -8.2772035 0.1897611 -1.6481083 -0.6833045 2.0986321 -3.1299959 1.0255847 2 S -2.8987180 -1.2129647 7.7528939 0.9061589 -0.6987578 0.5883761 0.9306103 0.9944245 -3.3477256 3 S -15.1510843 -15.2721671 -8.2772035 -0.1897611 -1.6481083 0.6833045 2.0986321 3.1299959 1.0255847 4 S -15.1510843 15.2721671 -8.2772035 0.1897611 -1.6481083 -0.6833045 2.0986321 -3.1299959 1.0255847 5 S -15.1510843 -15.2721671 -8.2772035 -0.1897611 -1.6481083 0.6833045 2.0986321 3.1299959 1.0255847 6 S 6.1725685 -4.3875207 2.2822988 -0.7148365 -1.2226873 -1.2006479 -1.0524320 0.1778327 -2.1770070 7 S 6.1725685 4.3875207 2.2822988 0.7148365 -1.2226873 1.2006479 -1.0524320 -0.1778327 -2.1770070 8 S 6.1725685 -4.3875207 2.2822988 -0.7148365 -1.2226873 -1.2006479 -1.0524320 0.1778327 -2.1770070 9 S 6.1725685 4.3875207 2.2822988 0.7148365 -1.2226873 1.2006479 -1.0524320 -0.1778327 -2.1770070 10 S -2.8987180 1.2129647 7.7528939 -0.9061589 -0.6987578 -0.5883761 0.9306103 -0.9944245 -3.3477256 11 S -2.8987180 -1.2129647 7.7528939 0.9061589 -0.6987578 0.5883761 0.9306103 0.9944245 -3.3477256 12 S -2.8987180 1.2129647 7.7528939 -0.9061589 -0.6987578 -0.5883761 0.9306103 -0.9944245 -3.3477256 13 Mn 8.7581805 9.2979643 -6.4301903 -2.7378823 -4.1351014 -4.8139886 -2.7998754 -1.7698766 0.7308573 14 Mn 8.7581805 -9.2979643 -6.4301903 2.7378823 -4.1351014 4.8139886 -2.7998754 1.7698766 0.7308573 15 Ag 0.7120378 -0.8305094 -0.2917486 -0.0642286 0.9998090 -0.0743917 -0.3106783 0.3098221 1.1811058 16 Ag 0.7120378 0.8305094 -0.2917486 0.0642286 0.9998090 0.0743917 -0.3106783 -0.3098221 1.1811058 17 Ag 0.7120378 -0.8305094 -0.2917486 -0.0642286 0.9998090 -0.0743917 -0.3106783 0.3098221 1.1811058 18 Ag 1.5651554 -0.2002599 0.2986596 0.2136498 0.5628277 -0.3529542 -0.3511069 -0.3367486 1.2308853 19 Ag 1.5651554 0.2002599 0.2986596 -0.2136498 0.5628277 0.3529542 -0.3511069 0.3367486 1.2308853 20 Ag 1.5651554 -0.2002599 0.2986596 0.2136498 0.5628277 -0.3529542 -0.3511069 -0.3367486 1.2308853 21 Ag 1.5651554 0.2002599 0.2986596 -0.2136498 0.5628277 0.3529542 -0.3511069 0.3367486 1.2308853 22 Ag 0.7120378 0.8305094 -0.2917486 0.0642286 0.9998090 0.0743917 -0.3106783 -0.3098221 1.1811058 23 Sb 5.2209503 6.5791839 1.4501949 -1.1599092 4.0744675 0.8280122 0.0849125 -0.8767441 1.7217280 24 Sb 5.2209503 -6.5791839 1.4501949 1.1599092 4.0744675 -0.8280122 0.0849125 0.8767441 1.7217280 25 Sb 5.2209503 6.5791839 1.4501949 -1.1599092 4.0744675 0.8280122 0.0849125 -0.8767441 1.7217280 26 Sb 5.2209503 -6.5791839 1.4501949 1.1599092 4.0744675 -0.8280122 0.0849125 0.8767441 1.7217280----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 7 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 305, Lambda: 1.08Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/92) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.148 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.357 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.118 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.812 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.542 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.660 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 0.000 0.000) 0.000 9.717 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 0.000) 0.000 10.022 ( 0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.323 ( 0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 10.442 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/92) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.276 ( 10.849 0.000 8.481) 13.770 0.303 ( 10.977 0.000 9.210) 14.329 0.743 ( 26.339 0.000 18.577) 32.232 1.132 ( -0.435 0.000 -0.601) 0.742 1.159 ( 1.887 0.000 -1.054) 2.161 1.258 ( -1.508 0.000 -0.507) 1.591 1.258 ( -5.846 0.000 -6.403) 8.670 1.496 ( -0.627 0.000 -0.440) 0.766 1.533 ( -0.687 0.000 -3.870) 3.931 1.570 ( 0.731 0.000 -0.524) 0.900 1.575 ( 0.294 0.000 -0.374) 0.476 1.686 ( 0.325 0.000 0.252) 0.411 1.794 ( 1.876 0.000 4.773) 5.129 1.863 ( -0.041 0.000 0.880) 0.881 1.880 ( -0.039 0.000 1.969) 1.970 2.063 ( 5.028 0.000 3.011) 5.861 2.085 ( -1.478 0.000 -2.934) 3.285 2.129 ( -0.924 0.000 3.529) 3.648 2.135 ( -1.574 0.000 -0.903) 1.814 2.319 ( -2.384 0.000 -5.246) 5.762 2.442 ( -0.797 0.000 2.651) 2.768 2.455 ( -5.970 0.000 -0.089) 5.971 2.482 ( 2.456 0.000 -2.425) 3.451 2.547 ( -1.199 0.000 -1.338) 1.797 2.601 ( -2.073 0.000 1.530) 2.577 2.646 ( 1.541 0.000 2.043) 2.559 2.770 ( 2.570 0.000 -1.790) 3.132 2.935 ( -2.069 0.000 -1.823) 2.758 2.977 ( -2.888 0.000 3.395) 4.458 3.058 ( -0.222 0.000 -4.448) 4.454 3.185 ( -0.201 0.000 1.384) 1.398 3.200 ( -12.130 0.000 -0.480) 12.140 3.349 ( -0.201 0.000 -4.521) 4.526 3.447 ( -0.888 0.000 -0.836) 1.220 3.563 ( 5.923 0.000 -0.938) 5.997 3.631 ( 2.462 0.000 -1.202) 2.740 4.423 ( 1.651 0.000 2.331) 2.856 4.574 ( 1.191 0.000 1.463) 1.886 4.893 ( -3.288 0.000 0.999) 3.437 5.036 ( -1.908 0.000 0.711) 2.036 5.077 ( 0.648 0.000 0.316) 0.721 5.120 ( 0.139 0.000 0.375) 0.400 5.639 ( -1.860 0.000 0.004) 1.860 5.686 ( -1.522 0.000 0.258) 1.544 6.186 ( 2.616 0.000 0.911) 2.770 6.301 ( -6.152 0.000 -0.575) 6.178 6.473 ( 0.661 0.000 -2.526) 2.611 6.532 ( 1.913 0.000 0.123) 1.917 6.590 ( -3.405 0.000 -1.814) 3.858 6.682 ( 0.088 0.000 1.901) 1.903 6.817 ( -1.937 0.000 2.168) 2.907 7.042 ( -5.324 0.000 1.388) 5.502 7.314 ( 1.679 0.000 0.940) 1.924 7.516 ( -4.521 0.000 -3.079) 5.470 7.719 ( -3.149 0.000 0.689) 3.223 7.836 ( -4.340 0.000 -1.701) 4.661 8.350 ( -0.545 0.000 -0.366) 0.657 8.372 ( -0.320 0.000 2.536) 2.556 8.468 ( -1.770 0.000 -1.185) 2.130 8.642 ( -2.832 0.000 0.579) 2.891 8.745 ( 4.564 0.000 3.231) 5.592 8.800 ( -1.968 0.000 -2.684) 3.329 8.909 ( -0.315 0.000 2.834) 2.852 8.973 ( -7.884 0.000 -0.708) 7.916 9.087 ( 1.544 0.000 -0.773) 1.726 9.238 ( -2.372 0.000 -2.402) 3.375 9.243 ( 0.703 0.000 1.347) 1.519 9.410 ( 4.210 0.000 1.766) 4.565 9.455 ( 1.946 0.000 0.369) 1.981 9.614 ( -3.619 0.000 -4.295) 5.617 9.734 ( 1.902 0.000 0.166) 1.910 9.865 ( 1.958 0.000 2.155) 2.912 9.911 ( -3.275 0.000 -0.473) 3.309 10.013 ( -1.270 0.000 -0.539) 1.380 10.176 ( -1.101 0.000 -0.501) 1.210 10.298 ( -2.363 0.000 0.582) 2.434 10.427 ( -0.822 0.000 -1.218) 1.469 10.433 ( -1.005 0.000 -0.065) 1.007======================= Grid point 2 (3/92) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.561 ( 13.315 0.000 4.505) 14.056 0.564 ( 9.462 0.000 5.330) 10.859 1.031 ( -4.653 0.000 4.632) 6.565 1.086 ( -1.941 0.000 -7.694) 7.935 1.202 ( 2.876 0.000 -0.400) 2.904 1.259 ( 6.561 0.000 -0.815) 6.611 1.311 ( 10.284 0.000 2.584) 10.604 1.467 ( -1.864 0.000 -0.995) 2.113 1.506 ( 3.819 0.000 -5.879) 7.010 1.586 ( 1.034 0.000 2.185) 2.418 1.587 ( 2.238 0.000 -0.892) 2.409 1.678 ( -1.907 0.000 -0.537) 1.981 1.837 ( -2.738 0.000 -0.522) 2.787 1.858 ( -0.973 0.000 2.758) 2.925 1.951 ( 3.654 0.000 6.425) 7.392 2.040 ( -0.939 0.000 -1.091) 1.439 2.104 ( -0.622 0.000 0.787) 1.004 2.167 ( 0.836 0.000 3.011) 3.125 2.215 ( -0.564 0.000 -5.541) 5.570 2.225 ( 4.915 0.000 5.045) 7.043 2.363 ( -2.401 0.000 0.767) 2.521 2.434 ( -2.690 0.000 0.390) 2.718 2.491 ( 2.018 0.000 -3.475) 4.019 2.531 ( -0.372 0.000 1.720) 1.760 2.571 ( -2.610 0.000 0.673) 2.696 2.670 ( -1.477 0.000 1.930) 2.430 2.794 ( 2.352 0.000 -2.391) 3.354 2.832 ( -6.792 0.000 1.540) 6.965 2.936 ( 0.037 0.000 -5.160) 5.160 3.016 ( -7.104 0.000 0.075) 7.104 3.047 ( -0.789 0.000 1.595) 1.779 3.179 ( -2.766 0.000 2.193) 3.530 3.296 ( 0.629 0.000 -7.088) 7.116 3.369 ( -5.897 0.000 -2.512) 6.410 3.625 ( 3.198 0.000 -2.021) 3.783 3.694 ( 5.039 0.000 0.348) 5.051 4.475 ( 1.499 0.000 1.202) 1.921 4.618 ( 2.249 0.000 0.499) 2.304 4.855 ( -2.864 0.000 1.728) 3.345 5.014 ( -2.457 0.000 2.381) 3.421 5.109 ( 3.555 0.000 -1.001) 3.693 5.123 ( -0.250 0.000 -0.414) 0.484 5.621 ( -0.042 0.000 0.841) 0.842 5.668 ( -0.871 0.000 0.762) 1.157 6.215 ( -2.567 0.000 -0.975) 2.746 6.245 ( 1.876 0.000 1.823) 2.616 6.445 ( -1.645 0.000 -4.299) 4.603 6.499 ( -2.605 0.000 -0.851) 2.741 6.528 ( -1.516 0.000 -0.240) 1.535 6.715 ( 0.641 0.000 2.454) 2.536 6.769 ( -6.501 0.000 2.161) 6.850 6.960 ( -6.923 0.000 3.126) 7.596 7.316 ( -2.485 0.000 0.707) 2.584 7.390 ( -5.669 0.000 -2.529) 6.207 7.668 ( -3.143 0.000 0.197) 3.149 7.709 ( -5.999 0.000 -3.830) 7.117 8.346 ( 0.061 0.000 0.530) 0.533 8.386 ( -2.092 0.000 2.930) 3.600 8.423 ( -1.097 0.000 -1.644) 1.976 8.542 ( -9.117 0.000 -1.030) 9.175 8.747 ( 0.287 0.000 -1.825) 1.848 8.806 ( -10.052 0.000 -0.206) 10.055 8.882 ( 5.525 0.000 4.213) 6.948 8.927 ( -1.199 0.000 3.194) 3.411 9.095 ( 0.444 0.000 -1.446) 1.512 9.148 ( -3.621 0.000 -3.527) 5.055 9.281 ( 1.577 0.000 1.708) 2.325 9.471 ( 0.685 0.000 1.866) 1.988 9.490 ( 2.039 0.000 -1.363) 2.452 9.576 ( 2.798 0.000 -1.272) 3.073 9.776 ( 2.016 0.000 -0.178) 2.024 9.840 ( -3.429 0.000 -0.548) 3.472 9.848 ( -4.455 0.000 0.912) 4.548 10.005 ( -1.348 0.000 1.454) 1.983 10.145 ( -0.582 0.000 -1.792) 1.884 10.266 ( -2.063 0.000 0.525) 2.128 10.397 ( -1.630 0.000 -0.258) 1.650 10.407 ( -1.406 0.000 -0.640) 1.545======================= Grid point 3 (4/92) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.726 ( 5.115 0.000 0.575) 5.147 0.812 ( 11.563 0.000 0.799) 11.590 0.983 ( -4.521 0.000 3.888) 5.962 1.085 ( 6.999 0.000 -0.995) 7.069 1.252 ( 2.974 0.000 -0.208) 2.981 1.337 ( 0.157 0.000 1.030) 1.042 1.418 ( -2.003 0.000 -1.089) 2.280 1.439 ( 7.845 0.000 -1.881) 8.068 1.524 ( 5.440 0.000 -4.545) 7.089 1.591 ( -2.849 0.000 -1.938) 3.446 1.627 ( 1.585 0.000 -0.880) 1.813 1.647 ( 1.994 0.000 -1.515) 2.505 1.783 ( -2.028 0.000 -0.777) 2.172 1.850 ( -0.776 0.000 -0.485) 0.915 1.985 ( -3.671 0.000 -1.308) 3.897 2.050 ( -6.423 0.000 3.691) 7.408 2.096 ( 1.160 0.000 6.213) 6.320 2.214 ( 0.910 0.000 0.563) 1.070 2.238 ( 6.519 0.000 0.208) 6.523 2.274 ( 0.605 0.000 0.670) 0.903 2.363 ( -0.835 0.000 -1.355) 1.592 2.376 ( -2.237 0.000 -1.303) 2.588 2.487 ( -2.068 0.000 0.387) 2.104 2.501 ( -5.469 0.000 2.295) 5.931 2.583 ( 2.811 0.000 0.986) 2.979 2.640 ( -2.383 0.000 1.112) 2.629 2.800 ( -3.543 0.000 -2.752) 4.486 2.801 ( 0.972 0.000 -1.680) 1.941 2.918 ( 2.995 0.000 -1.611) 3.401 2.969 ( 3.854 0.000 4.351) 5.812 3.087 ( 2.019 0.000 5.530) 5.887 3.134 ( -6.421 0.000 1.393) 6.571 3.177 ( -5.365 0.000 -5.654) 7.794 3.243 ( -2.326 0.000 -4.467) 5.036 3.640 ( 1.365 0.000 -2.448) 2.803 3.798 ( 5.128 0.000 1.311) 5.293 4.486 ( -0.472 0.000 -0.916) 1.030 4.656 ( 2.213 0.000 -0.679) 2.315 4.817 ( -3.285 0.000 1.003) 3.435 4.999 ( -2.218 0.000 2.489) 3.334 5.104 ( -1.008 0.000 -0.271) 1.043 5.172 ( 4.149 0.000 -1.075) 4.286 5.651 ( 1.638 0.000 0.800) 1.823 5.679 ( 1.424 0.000 0.850) 1.659 6.206 ( 2.638 0.000 -0.050) 2.639 6.266 ( -1.280 0.000 0.031) 1.280 6.332 ( -4.710 0.000 -1.480) 4.937 6.489 ( -2.485 0.000 -0.411) 2.518 6.505 ( 2.337 0.000 -1.058) 2.566 6.640 ( -8.884 0.000 0.316) 8.889 6.743 ( -0.135 0.000 1.723) 1.728 6.858 ( -8.337 0.000 3.273) 8.956 7.256 ( -4.125 0.000 0.061) 4.126 7.294 ( -4.197 0.000 2.095) 4.691 7.563 ( -4.508 0.000 -6.170) 7.641 7.615 ( -2.633 0.000 -0.211) 2.641 8.317 ( -8.163 0.000 -1.339) 8.272 8.358 ( 0.882 0.000 -0.266) 0.921 8.379 ( -5.544 0.000 0.919) 5.620 8.408 ( 0.435 0.000 -0.178) 0.470 8.638 ( -8.833 0.000 0.722) 8.863 8.768 ( 2.253 0.000 -0.067) 2.254 8.936 ( -1.246 0.000 2.524) 2.815 9.005 ( 2.499 0.000 4.994) 5.584 9.053 ( -2.742 0.000 -3.246) 4.249 9.078 ( 0.673 0.000 -2.893) 2.970 9.333 ( 2.046 0.000 2.221) 3.020 9.488 ( 0.093 0.000 0.609) 0.616 9.512 ( 2.829 0.000 -2.020) 3.476 9.643 ( 4.187 0.000 -0.048) 4.187 9.759 ( -2.630 0.000 -0.391) 2.659 9.779 ( -3.232 0.000 0.489) 3.268 9.814 ( 0.231 0.000 -0.571) 0.616 9.963 ( -5.570 0.000 2.607) 6.150 10.129 ( 1.131 0.000 -2.696) 2.923 10.236 ( -1.943 0.000 0.714) 2.070 10.370 ( -1.300 0.000 0.249) 1.323 10.372 ( -1.447 0.000 -1.124) 1.832======================= Grid point 4 (5/92) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 0.543 0.000 -0.742) 0.920 0.965 ( 4.614 0.000 0.106) 4.615 0.970 ( -1.071 0.000 2.112) 2.368 1.245 ( 6.865 0.000 2.987) 7.487 1.298 ( 2.782 0.000 -0.358) 2.805 1.300 ( -1.937 0.000 -0.758) 2.080 1.379 ( -1.953 0.000 -0.851) 2.130 1.519 ( -2.322 0.000 -0.867) 2.478 1.551 ( 3.519 0.000 1.020) 3.664 1.582 ( 3.059 0.000 -1.698) 3.498 1.629 ( -1.506 0.000 -2.309) 2.757 1.669 ( 4.274 0.000 -1.341) 4.479 1.760 ( -0.287 0.000 -0.364) 0.464 1.814 ( -0.708 0.000 -1.812) 1.945 1.932 ( -0.811 0.000 -0.199) 0.835 1.978 ( -4.291 0.000 2.354) 4.894 2.078 ( -5.417 0.000 1.373) 5.588 2.216 ( -0.482 0.000 -0.053) 0.485 2.319 ( 3.666 0.000 2.308) 4.332 2.331 ( 0.991 0.000 -0.948) 1.372 2.383 ( 2.925 0.000 2.506) 3.852 2.385 ( 0.737 0.000 1.750) 1.899 2.422 ( -2.328 0.000 -3.580) 4.270 2.438 ( -0.965 0.000 -1.146) 1.498 2.617 ( -1.321 0.000 0.782) 1.536 2.653 ( 1.933 0.000 3.209) 3.746 2.705 ( -2.469 0.000 -1.860) 3.091 2.797 ( 0.309 0.000 -0.889) 0.941 2.912 ( -0.119 0.000 -0.537) 0.550 2.936 ( -7.611 0.000 -4.736) 8.965 3.065 ( 1.187 0.000 1.416) 1.848 3.117 ( -2.158 0.000 1.059) 2.404 3.182 ( -0.545 0.000 -2.170) 2.238 3.263 ( 5.909 0.000 4.700) 7.550 3.631 ( 0.245 0.000 -1.327) 1.349 3.877 ( 2.147 0.000 0.586) 2.226 4.455 ( -1.023 0.000 -1.022) 1.446 4.686 ( 1.714 0.000 -0.276) 1.736 4.766 ( -2.471 0.000 -0.100) 2.473 4.990 ( -0.837 0.000 0.932) 1.253 5.092 ( -0.314 0.000 0.163) 0.354 5.213 ( 1.261 0.000 -0.328) 1.302 5.674 ( 0.423 0.000 0.187) 0.463 5.725 ( 2.003 0.000 0.370) 2.037 6.216 ( -1.559 0.000 -1.069) 1.891 6.285 ( -1.382 0.000 0.611) 1.511 6.297 ( 6.136 0.000 0.698) 6.176 6.425 ( -4.233 0.000 -0.826) 4.312 6.494 ( -4.336 0.000 0.173) 4.340 6.540 ( 0.496 0.000 -1.226) 1.322 6.742 ( -1.708 0.000 0.385) 1.751 6.767 ( -3.263 0.000 1.694) 3.677 7.198 ( -1.923 0.000 -0.096) 1.925 7.303 ( -0.008 0.000 6.320) 6.320 7.423 ( -2.992 0.000 -7.360) 7.945 7.580 ( -1.029 0.000 -0.123) 1.036 8.191 ( -3.264 0.000 -1.006) 3.415 8.318 ( -2.564 0.000 0.645) 2.644 8.370 ( 1.065 0.000 -0.778) 1.319 8.420 ( 0.306 0.000 0.494) 0.581 8.529 ( -3.910 0.000 0.691) 3.971 8.798 ( 0.878 0.000 0.029) 0.878 8.936 ( -0.685 0.000 0.786) 1.042 8.998 ( -0.719 0.000 -1.148) 1.354 9.050 ( -1.461 0.000 2.415) 2.823 9.083 ( 2.397 0.000 -1.729) 2.955 9.392 ( 1.617 0.000 1.827) 2.440 9.487 ( -0.159 0.000 -0.646) 0.665 9.543 ( 2.093 0.000 -1.101) 2.365 9.674 ( -1.148 0.000 1.019) 1.535 9.719 ( -1.263 0.000 -0.178) 1.276 9.784 ( 4.213 0.000 -1.688) 4.539 9.806 ( -0.311 0.000 -0.301) 0.433 9.884 ( -5.761 0.000 2.432) 6.253 10.121 ( 0.433 0.000 -1.322) 1.391 10.218 ( -0.735 0.000 0.466) 0.871 10.341 ( -0.726 0.000 -0.674) 0.991 10.357 ( -0.422 0.000 0.210) 0.471======================= Grid point 9 (6/92) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.331 ( 0.000 17.890 0.000) 17.890 0.410 ( 0.000 21.221 0.000) 21.221 0.879 ( 0.000 42.049 0.000) 42.049 1.134 ( 0.000 -0.813 0.000) 0.813 1.174 ( 0.000 3.460 0.000) 3.460 1.274 ( 0.000 -1.028 0.000) 1.028 1.336 ( 0.000 -3.796 0.000) 3.796 1.441 ( 0.000 0.084 0.000) 0.084 1.555 ( 0.000 -1.338 0.000) 1.338 1.563 ( 0.000 0.103 0.000) 0.103 1.675 ( 0.000 2.573 0.000) 2.573 1.696 ( 0.000 2.860 0.000) 2.860 1.738 ( 0.000 0.034 0.000) 0.034 1.848 ( 0.000 -0.604 0.000) 0.604 1.955 ( 0.000 -1.410 0.000) 1.410 1.990 ( 0.000 7.218 0.000) 7.218 2.126 ( 0.000 0.902 0.000) 0.902 2.143 ( 0.000 1.101 0.000) 1.101 2.190 ( 0.000 3.875 0.000) 3.875 2.386 ( 0.000 2.830 0.000) 2.830 2.418 ( 0.000 -1.414 0.000) 1.414 2.474 ( 0.000 0.309 0.000) 0.309 2.540 ( 0.000 2.521 0.000) 2.521 2.589 ( 0.000 -0.702 0.000) 0.702 2.636 ( 0.000 2.457 0.000) 2.457 2.638 ( 0.000 4.221 0.000) 4.221 2.745 ( 0.000 -0.026 0.000) 0.026 2.951 ( 0.000 -1.550 0.000) 1.550 2.958 ( 0.000 -1.393 0.000) 1.393 3.052 ( 0.000 -3.597 0.000) 3.597 3.134 ( 0.000 -4.263 0.000) 4.263 3.329 ( 0.000 -4.479 0.000) 4.479 3.336 ( 0.000 -3.486 0.000) 3.486 3.521 ( 0.000 0.456 0.000) 0.456 3.525 ( 0.000 6.633 0.000) 6.633 3.577 ( 0.000 -4.588 0.000) 4.588 4.366 ( 0.000 -2.169 0.000) 2.169 4.541 ( 0.000 -2.413 0.000) 2.413 4.930 ( 0.000 0.604 0.000) 0.604 5.037 ( 0.000 -0.899 0.000) 0.899 5.083 ( 0.000 2.633 0.000) 2.633 5.180 ( 0.000 1.604 0.000) 1.604 5.682 ( 0.000 -3.211 0.000) 3.211 5.690 ( 0.000 -0.583 0.000) 0.583 6.162 ( 0.000 0.631 0.000) 0.631 6.380 ( 0.000 -3.646 0.000) 3.646 6.491 ( 0.000 2.185 0.000) 2.185 6.528 ( 0.000 2.984 0.000) 2.984 6.573 ( 0.000 -3.097 0.000) 3.097 6.677 ( 0.000 -3.573 0.000) 3.573 6.799 ( 0.000 0.066 0.000) 0.066 7.094 ( 0.000 -1.974 0.000) 1.974 7.328 ( 0.000 1.321 0.000) 1.321 7.535 ( 0.000 0.278 0.000) 0.278 7.760 ( 0.000 1.198 0.000) 1.198 7.894 ( 0.000 0.904 0.000) 0.904 8.372 ( 0.000 2.245 0.000) 2.245 8.452 ( 0.000 4.010 0.000) 4.010 8.497 ( 0.000 0.103 0.000) 0.103 8.646 ( 0.000 0.258 0.000) 0.258 8.715 ( 0.000 2.321 0.000) 2.321 8.831 ( 0.000 4.755 0.000) 4.755 8.876 ( 0.000 -1.197 0.000) 1.197 9.070 ( 0.000 0.396 0.000) 0.396 9.101 ( 0.000 2.457 0.000) 2.457 9.193 ( 0.000 -4.671 0.000) 4.671 9.227 ( 0.000 -3.702 0.000) 3.702 9.353 ( 0.000 -0.498 0.000) 0.498 9.470 ( 0.000 2.585 0.000) 2.585 9.545 ( 0.000 1.134 0.000) 1.134 9.703 ( 0.000 -1.419 0.000) 1.419 9.761 ( 0.000 -0.091 0.000) 0.091 9.972 ( 0.000 0.803 0.000) 0.803 9.999 ( 0.000 -2.241 0.000) 2.241 10.130 ( 0.000 -4.925 0.000) 4.925 10.256 ( 0.000 -4.443 0.000) 4.443 10.459 ( 0.000 1.200 0.000) 1.200 10.465 ( 0.000 3.238 0.000) 3.238======================= Grid point 10 (7/92) =======================q-point: ( 0.11 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.482 ( 7.156 15.122 3.863) 17.170 0.594 ( 8.798 15.966 9.739) 20.668 1.001 ( 9.644 21.802 4.414) 24.245 1.119 ( -1.340 0.332 -0.203) 1.395 1.180 ( 0.601 2.377 -0.913) 2.616 1.265 ( 2.234 2.867 -1.192) 3.825 1.290 ( -3.713 2.986 -2.522) 5.391 1.437 ( 0.393 -3.488 1.179) 3.702 1.539 ( -0.580 -1.758 0.066) 1.852 1.564 ( 0.866 1.156 -1.957) 2.432 1.636 ( -1.419 3.585 -1.655) 4.195 1.687 ( 0.378 0.478 -1.222) 1.365 1.803 ( 2.300 1.479 4.381) 5.165 1.850 ( 1.561 0.192 0.628) 1.694 1.963 ( -2.251 5.538 0.178) 5.980 2.012 ( 0.984 -2.406 3.155) 4.088 2.123 ( -0.202 1.654 0.099) 1.670 2.144 ( 0.797 1.877 -0.367) 2.072 2.187 ( -0.085 3.998 0.562) 4.039 2.350 ( -1.858 3.722 -3.896) 5.699 2.414 ( -1.836 -1.561 0.879) 2.565 2.462 ( -3.227 0.549 1.753) 3.713 2.515 ( 1.301 3.283 -1.183) 3.724 2.581 ( -0.739 -0.647 -2.002) 2.230 2.605 ( -1.869 4.299 1.165) 4.830 2.675 ( 0.954 2.267 2.075) 3.218 2.757 ( 1.717 -0.530 -1.081) 2.097 2.924 ( -2.333 -1.458 -1.330) 3.055 2.966 ( -1.875 -0.999 2.051) 2.953 3.012 ( -0.068 -4.226 -3.879) 5.737 3.134 ( -4.936 -4.099 1.564) 6.604 3.206 ( -4.202 -0.394 -1.415) 4.451 3.344 ( -0.248 -4.621 -2.096) 5.080 3.427 ( -3.109 3.997 -1.524) 5.288 3.590 ( 2.135 -3.289 0.034) 3.922 3.602 ( 4.583 1.075 -1.940) 5.092 4.403 ( 2.059 -2.114 2.121) 3.634 4.553 ( 0.911 -2.348 1.572) 2.968 4.900 ( -2.945 0.856 0.539) 3.114 5.023 ( -0.288 -0.712 1.759) 1.919 5.086 ( 0.169 1.384 -0.678) 1.550 5.148 ( -1.743 1.635 -0.356) 2.416 5.603 ( -1.893 -3.308 0.924) 3.922 5.673 ( -2.099 -1.552 -0.072) 2.611 6.163 ( -0.861 -1.299 0.779) 1.742 6.318 ( -1.886 -0.886 -3.221) 3.836 6.490 ( -0.083 1.344 -0.822) 1.577 6.528 ( -1.112 0.519 -0.678) 1.402 6.567 ( -2.032 -2.885 -0.678) 3.593 6.657 ( 0.587 -1.503 3.820) 4.146 6.823 ( -0.663 1.279 1.325) 1.958 7.056 ( -3.882 -0.467 0.083) 3.911 7.310 ( 0.027 0.436 0.417) 0.604 7.513 ( -4.227 0.434 -2.120) 4.748 7.726 ( -3.287 0.754 0.287) 3.385 7.842 ( -4.887 0.438 -1.470) 5.122 8.365 ( 0.542 2.697 0.222) 2.759 8.420 ( -1.773 3.516 1.961) 4.399 8.482 ( -1.285 1.160 -0.973) 1.986 8.650 ( -1.588 0.792 1.511) 2.331 8.722 ( 0.353 -0.179 -0.092) 0.407 8.836 ( -1.716 1.329 -0.203) 2.180 8.916 ( 1.705 1.332 2.088) 3.007 8.997 ( -6.943 1.950 -0.931) 7.271 9.114 ( 1.363 2.486 0.271) 2.848 9.171 ( -1.398 -4.043 -0.369) 4.294 9.239 ( 1.830 -1.873 0.527) 2.671 9.392 ( 1.476 -1.809 -0.366) 2.364 9.474 ( 0.700 1.296 0.313) 1.506 9.624 ( -1.933 0.735 -3.047) 3.683 9.722 ( 1.863 -1.263 0.209) 2.261 9.852 ( 3.578 -0.318 0.952) 3.716 9.943 ( -2.023 1.896 -0.111) 2.775 9.991 ( -1.117 -2.313 -0.757) 2.678 10.106 ( -2.304 -5.464 -0.094) 5.930 10.260 ( -0.537 -4.016 -0.054) 4.052 10.428 ( -2.514 1.392 -0.196) 2.880 10.471 ( -0.714 1.735 -0.256) 1.894======================= Grid point 11 (8/92) =======================q-point: ( 0.22 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.660 ( 9.178 9.959 1.083) 13.586 0.778 ( 4.648 16.114 5.733) 17.724 1.079 ( -2.482 3.616 0.586) 4.425 1.110 ( -2.019 3.042 -3.606) 5.131 1.149 ( 5.836 -0.744 -2.903) 6.561 1.266 ( 2.344 -1.092 -0.609) 2.656 1.401 ( 6.657 6.558 1.749) 9.507 1.454 ( -0.479 -1.011 1.118) 1.582 1.559 ( 3.027 2.137 -1.485) 3.992 1.599 ( 1.373 1.183 1.613) 2.426 1.603 ( 2.161 3.821 -1.399) 4.608 1.673 ( -0.771 0.509 -0.464) 1.034 1.854 ( -1.634 2.544 0.612) 3.085 1.899 ( -2.107 0.486 1.172) 2.460 1.920 ( 4.925 1.290 0.265) 5.098 2.040 ( -1.105 -0.016 2.674) 2.893 2.121 ( -1.821 -1.664 2.781) 3.718 2.172 ( 1.303 3.715 -0.361) 3.953 2.222 ( 2.206 0.727 -1.943) 3.028 2.301 ( 0.346 5.708 1.684) 5.962 2.370 ( -1.941 0.058 0.583) 2.028 2.427 ( -2.537 0.892 1.398) 3.031 2.525 ( -1.111 2.974 -2.129) 3.823 2.549 ( -0.012 -1.152 -0.562) 1.282 2.614 ( 1.780 7.751 2.217) 8.256 2.697 ( -0.932 2.515 1.409) 3.029 2.762 ( -0.298 -3.452 -1.104) 3.637 2.821 ( -5.079 -0.861 -0.955) 5.240 2.936 ( 0.711 0.016 -3.860) 3.925 2.995 ( -6.945 -2.179 0.140) 7.281 3.022 ( -0.050 -2.447 2.578) 3.555 3.180 ( -2.026 0.125 1.109) 2.313 3.281 ( -3.323 -4.904 -3.946) 7.117 3.354 ( -2.228 3.247 -4.028) 5.633 3.632 ( 1.746 -0.256 -1.968) 2.644 3.661 ( 5.020 -3.229 0.427) 5.984 4.466 ( 2.129 -1.047 1.584) 2.852 4.591 ( 1.785 -2.823 0.359) 3.359 4.860 ( -2.462 0.821 1.062) 2.805 5.035 ( -1.815 1.592 2.770) 3.674 5.098 ( 1.390 -0.740 -1.901) 2.469 5.129 ( 1.753 0.379 0.230) 1.808 5.598 ( 0.164 -2.340 1.459) 2.762 5.640 ( -1.243 -2.901 -0.081) 3.157 6.140 ( -1.815 -3.270 -0.114) 3.742 6.283 ( 0.202 -1.856 -1.380) 2.322 6.458 ( -3.876 1.200 -3.130) 5.124 6.481 ( 0.201 1.488 -1.292) 1.981 6.524 ( -2.048 -2.131 0.407) 2.983 6.704 ( -1.799 -0.420 5.382) 5.690 6.802 ( -3.072 2.186 0.895) 3.876 6.968 ( -6.407 -0.166 0.389) 6.421 7.286 ( -3.280 -2.068 0.258) 3.886 7.392 ( -6.785 0.608 -1.458) 6.967 7.669 ( -4.167 0.086 0.197) 4.173 7.717 ( -4.963 0.762 -3.063) 5.882 8.364 ( -0.738 1.835 0.425) 2.023 8.423 ( -1.736 3.190 2.514) 4.417 8.445 ( -1.232 2.092 -1.080) 2.658 8.569 ( -7.890 3.113 -0.675) 8.509 8.728 ( 0.487 -1.106 -0.927) 1.523 8.828 ( -3.117 -0.473 -0.031) 3.153 8.850 ( -5.281 0.880 2.123) 5.760 8.975 ( 2.763 2.601 1.192) 3.977 9.111 ( -2.556 1.006 -0.109) 2.749 9.143 ( -0.656 0.282 -0.328) 0.786 9.266 ( 1.537 -1.193 -0.129) 1.950 9.406 ( 0.362 -4.559 0.560) 4.608 9.492 ( 0.910 -0.769 0.138) 1.199 9.605 ( 2.113 1.790 -1.474) 3.137 9.758 ( 1.329 -1.372 0.157) 1.917 9.856 ( -1.642 2.094 -0.323) 2.681 9.890 ( -3.959 2.560 0.132) 4.716 9.983 ( -1.321 -2.020 1.510) 2.847 10.070 ( -0.161 -5.990 -1.404) 6.155 10.245 ( -1.220 -3.400 0.039) 3.613 10.382 ( -2.314 0.804 -0.184) 2.456 10.443 ( -1.959 1.432 -0.416) 2.462======================= Grid point 12 (9/92) =======================q-point: ( 0.33 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.795 ( 5.832 6.916 -1.428) 9.159 0.890 ( 2.653 7.410 2.385) 8.224 1.080 ( 0.124 7.696 1.931) 7.936 1.104 ( 5.842 2.753 0.082) 6.459 1.220 ( 4.397 -1.363 -1.786) 4.938 1.311 ( 3.206 -0.880 -0.678) 3.393 1.414 ( -3.614 0.088 -0.885) 3.722 1.505 ( 4.855 3.183 1.429) 5.979 1.576 ( -0.622 1.052 -2.451) 2.739 1.602 ( 1.210 3.388 -0.280) 3.608 1.629 ( 1.331 1.737 -0.757) 2.316 1.692 ( 2.577 4.472 -1.829) 5.476 1.800 ( -1.852 2.161 -1.490) 3.213 1.895 ( -0.784 3.625 -0.066) 3.710 1.972 ( -1.467 0.058 -0.148) 1.475 2.075 ( 1.261 -1.090 3.513) 3.889 2.100 ( -1.391 2.280 0.900) 2.818 2.182 ( 0.427 -0.970 1.056) 1.496 2.253 ( 1.501 1.286 0.997) 2.214 2.321 ( 0.511 2.396 0.644) 2.533 2.344 ( -1.979 -0.408 1.305) 2.405 2.405 ( -1.332 1.994 -1.845) 3.026 2.492 ( -1.195 2.677 0.939) 3.079 2.513 ( -3.295 -0.426 -0.479) 3.357 2.635 ( -0.798 2.408 -0.139) 2.541 2.660 ( -3.129 2.802 1.666) 4.518 2.761 ( -0.592 -0.696 -0.994) 1.350 2.818 ( 0.187 -0.146 -1.179) 1.203 2.919 ( -0.095 -0.462 -1.647) 1.714 2.949 ( 4.944 -1.045 2.541) 5.656 3.067 ( 0.226 -2.745 2.321) 3.602 3.123 ( -5.987 -0.908 0.752) 6.102 3.181 ( -1.624 0.785 -0.169) 1.812 3.273 ( -1.423 3.857 -4.290) 5.942 3.622 ( 0.240 -2.052 -2.642) 3.354 3.762 ( 4.756 -3.515 1.223) 6.039 4.491 ( 0.037 0.464 -0.550) 0.721 4.617 ( 1.480 -3.700 -0.778) 4.060 4.830 ( -2.336 1.590 0.798) 2.937 5.005 ( -2.171 0.650 0.516) 2.325 5.128 ( 1.686 1.073 1.688) 2.616 5.180 ( 2.627 1.074 -0.168) 2.843 5.633 ( 1.697 -1.838 0.844) 2.640 5.639 ( 1.490 -3.897 -0.089) 4.173 6.122 ( 0.608 -4.239 -0.423) 4.303 6.261 ( -2.598 -5.582 -0.685) 6.195 6.369 ( -1.119 5.692 -2.908) 6.489 6.462 ( -2.183 -1.130 1.043) 2.670 6.519 ( 1.058 -0.774 -0.129) 1.317 6.653 ( -7.613 0.047 1.248) 7.714 6.767 ( -2.097 1.743 0.942) 2.885 6.852 ( -7.331 -0.285 1.541) 7.497 7.211 ( -4.972 -3.898 -0.098) 6.318 7.271 ( -5.529 -1.826 1.030) 5.913 7.552 ( -6.018 -0.117 -2.427) 6.490 7.658 ( -0.568 3.100 -1.397) 3.448 8.333 ( -5.223 1.431 -1.246) 5.557 8.382 ( -1.311 2.463 -0.486) 2.833 8.415 ( -3.367 2.904 1.673) 4.750 8.451 ( -2.498 4.613 -0.241) 5.251 8.659 ( -7.107 2.727 0.049) 7.613 8.770 ( 1.739 0.142 -1.281) 2.165 8.878 ( -0.274 -3.960 3.836) 5.520 9.008 ( 0.731 -1.289 -2.723) 3.100 9.078 ( -1.551 3.958 3.604) 5.573 9.126 ( -0.282 3.141 -1.744) 3.603 9.297 ( 1.567 -3.216 0.986) 3.711 9.424 ( 1.089 -4.791 0.181) 4.917 9.506 ( 0.748 -1.786 -0.239) 1.951 9.637 ( 2.278 -0.521 -0.991) 2.538 9.770 ( 0.735 0.206 -0.157) 0.779 9.818 ( -3.402 3.397 -0.141) 4.810 9.836 ( -1.076 1.834 0.298) 2.146 9.952 ( -4.010 -0.479 2.462) 4.730 10.069 ( 1.610 -5.245 -2.173) 5.901 10.218 ( -1.815 -2.691 0.087) 3.247 10.346 ( -1.297 -0.313 -0.444) 1.406 10.399 ( -2.351 0.949 -0.285) 2.551======================= Grid point 13 (10/92) =======================q-point: ( 0.44 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( 0.917 6.753 -0.827) 6.865 0.930 ( 0.478 2.961 0.930) 3.140 1.116 ( 0.903 6.348 0.981) 6.486 1.249 ( 4.351 -0.173 1.810) 4.716 1.275 ( 5.183 -0.140 0.217) 5.189 1.304 ( -1.557 0.670 -1.335) 2.158 1.390 ( 0.205 2.556 0.010) 2.564 1.523 ( -0.838 0.665 -1.121) 1.549 1.577 ( -2.000 0.404 -1.111) 2.323 1.608 ( 2.777 4.289 1.633) 5.364 1.675 ( 2.390 0.820 -0.509) 2.578 1.693 ( 1.228 4.722 -2.425) 5.449 1.752 ( -3.049 2.588 -0.476) 4.027 1.876 ( 1.144 2.688 -1.699) 3.379 1.950 ( 0.680 1.620 0.513) 1.830 2.036 ( -5.278 6.476 0.947) 8.408 2.108 ( -2.408 2.953 0.617) 3.859 2.229 ( 4.671 -1.793 1.606) 5.255 2.292 ( 0.153 -1.551 1.280) 2.017 2.313 ( -2.599 -1.193 -0.458) 2.896 2.343 ( 1.956 1.143 0.550) 2.331 2.402 ( 0.532 0.240 -0.751) 0.951 2.453 ( -1.995 1.985 0.436) 2.848 2.487 ( 0.936 3.321 -1.050) 3.607 2.617 ( -1.634 0.170 1.032) 1.940 2.655 ( 1.001 -0.586 0.754) 1.383 2.711 ( -2.884 0.496 -1.166) 3.150 2.799 ( -0.408 0.202 0.168) 0.485 2.903 ( -0.249 -0.719 -0.468) 0.893 2.943 ( -3.648 0.686 -4.019) 5.471 3.056 ( 1.312 -1.308 1.759) 2.554 3.100 ( -2.068 -1.236 1.485) 2.830 3.195 ( 0.169 2.498 -2.058) 3.241 3.301 ( 4.053 3.617 3.519) 6.472 3.597 ( -0.270 -3.442 -1.386) 3.720 3.833 ( 1.882 -4.311 0.448) 4.725 4.470 ( -0.742 1.476 -0.869) 1.866 4.629 ( 0.534 -4.943 -0.306) 4.981 4.797 ( -1.258 3.433 -0.176) 3.661 4.991 ( -0.319 0.585 0.377) 0.765 5.167 ( 0.402 4.949 1.558) 5.204 5.205 ( 0.795 -0.516 -0.501) 1.072 5.657 ( 0.432 -1.659 0.135) 1.720 5.679 ( 2.153 -4.132 -0.105) 4.660 6.151 ( 2.470 -5.081 -0.146) 5.652 6.197 ( -2.953 -4.888 -0.317) 5.720 6.358 ( 1.377 3.920 -1.335) 4.364 6.432 ( -2.273 -1.012 1.137) 2.736 6.525 ( -2.361 2.422 0.559) 3.428 6.554 ( -0.323 -1.215 -1.447) 1.916 6.720 ( -3.208 -1.813 0.628) 3.737 6.768 ( -3.180 0.641 0.850) 3.354 7.136 ( -2.628 -5.114 0.120) 5.751 7.239 ( -0.472 -5.833 1.569) 6.058 7.440 ( -3.200 2.562 -1.944) 4.537 7.644 ( -0.024 4.634 -0.567) 4.669 8.230 ( -2.826 3.881 -0.949) 4.894 8.366 ( -2.295 4.529 0.477) 5.099 8.384 ( 0.857 1.547 -0.743) 1.918 8.431 ( -1.225 0.516 1.085) 1.716 8.571 ( -2.448 5.227 -0.056) 5.772 8.786 ( 0.637 -1.239 -0.338) 1.434 8.903 ( -0.092 -2.876 1.287) 3.152 8.988 ( 0.171 -0.417 -0.905) 1.011 9.090 ( -2.018 3.673 2.392) 4.825 9.109 ( 1.446 2.122 -2.096) 3.315 9.341 ( 1.475 -4.552 1.349) 4.971 9.432 ( -0.112 -5.015 -0.597) 5.051 9.516 ( 0.665 -2.200 -0.172) 2.305 9.655 ( 0.529 -1.704 -0.135) 1.790 9.758 ( -1.832 2.640 -0.095) 3.215 9.796 ( 0.755 -1.337 -0.564) 1.636 9.843 ( 2.254 4.389 -0.032) 4.934 9.902 ( -4.257 2.741 1.716) 5.346 10.072 ( 0.695 -4.859 -1.043) 5.018 10.192 ( -0.903 -2.735 0.099) 2.882 10.327 ( -0.368 -0.955 -0.497) 1.138 10.365 ( -1.113 0.424 0.119) 1.197======================= Grid point 18 (11/92) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 0.000 17.669 0.000) 17.669 0.780 ( 0.000 17.625 0.000) 17.625 1.119 ( 0.000 -0.110 0.000) 0.110 1.223 ( 0.000 -0.944 0.000) 0.944 1.228 ( 0.000 -4.413 0.000) 4.413 1.321 ( 0.000 8.513 0.000) 8.513 1.398 ( 0.000 6.584 0.000) 6.584 1.472 ( 0.000 -6.514 0.000) 6.514 1.558 ( 0.000 -1.170 0.000) 1.170 1.586 ( 0.000 12.452 0.000) 12.452 1.690 ( 0.000 0.539 0.000) 0.539 1.747 ( 0.000 -0.181 0.000) 0.181 1.774 ( 0.000 4.362 0.000) 4.362 1.879 ( 0.000 7.318 0.000) 7.318 1.956 ( 0.000 1.566 0.000) 1.566 2.090 ( 0.000 2.603 0.000) 2.603 2.150 ( 0.000 1.309 0.000) 1.309 2.175 ( 0.000 2.522 0.000) 2.522 2.236 ( 0.000 0.422 0.000) 0.422 2.391 ( 0.000 -1.276 0.000) 1.276 2.470 ( 0.000 -1.742 0.000) 1.742 2.481 ( 0.000 5.816 0.000) 5.816 2.581 ( 0.000 0.575 0.000) 0.575 2.612 ( 0.000 4.026 0.000) 4.026 2.667 ( 0.000 1.046 0.000) 1.046 2.716 ( 0.000 6.597 0.000) 6.597 2.840 ( 0.000 8.137 0.000) 8.137 2.898 ( 0.000 -2.975 0.000) 2.975 2.905 ( 0.000 -3.412 0.000) 3.412 3.018 ( 0.000 1.094 0.000) 1.094 3.033 ( 0.000 -5.839 0.000) 5.839 3.259 ( 0.000 -3.409 0.000) 3.409 3.260 ( 0.000 -4.720 0.000) 4.720 3.456 ( 0.000 -8.040 0.000) 8.040 3.510 ( 0.000 -0.153 0.000) 0.153 3.674 ( 0.000 8.306 0.000) 8.306 4.299 ( 0.000 -4.829 0.000) 4.829 4.466 ( 0.000 -5.715 0.000) 5.715 4.956 ( 0.000 2.244 0.000) 2.244 5.041 ( 0.000 1.153 0.000) 1.153 5.141 ( 0.000 3.328 0.000) 3.328 5.198 ( 0.000 0.458 0.000) 0.458 5.623 ( 0.000 -2.787 0.000) 2.787 5.664 ( 0.000 -2.397 0.000) 2.397 6.168 ( 0.000 -0.282 0.000) 0.282 6.271 ( 0.000 -6.997 0.000) 6.997 6.460 ( 0.000 -5.658 0.000) 5.658 6.504 ( 0.000 -4.019 0.000) 4.019 6.590 ( 0.000 4.087 0.000) 4.087 6.675 ( 0.000 4.129 0.000) 4.129 6.822 ( 0.000 1.513 0.000) 1.513 6.990 ( 0.000 -8.366 0.000) 8.366 7.393 ( 0.000 5.307 0.000) 5.307 7.567 ( 0.000 2.201 0.000) 2.201 7.792 ( 0.000 2.206 0.000) 2.206 7.903 ( 0.000 -0.090 0.000) 0.090 8.450 ( 0.000 5.623 0.000) 5.623 8.492 ( 0.000 -0.250 0.000) 0.250 8.521 ( 0.000 2.957 0.000) 2.957 8.686 ( 0.000 3.153 0.000) 3.153 8.756 ( 0.000 1.759 0.000) 1.759 8.859 ( 0.000 -0.349 0.000) 0.349 8.913 ( 0.000 3.249 0.000) 3.249 9.037 ( 0.000 -4.003 0.000) 4.003 9.128 ( 0.000 -1.768 0.000) 1.768 9.158 ( 0.000 2.194 0.000) 2.194 9.192 ( 0.000 1.190 0.000) 1.190 9.318 ( 0.000 -2.187 0.000) 2.187 9.507 ( 0.000 1.162 0.000) 1.162 9.554 ( 0.000 -0.721 0.000) 0.721 9.665 ( 0.000 -2.480 0.000) 2.480 9.735 ( 0.000 -3.231 0.000) 3.231 9.959 ( 0.000 -1.322 0.000) 1.322 9.973 ( 0.000 -0.882 0.000) 0.882 10.068 ( 0.000 -0.340 0.000) 0.340 10.187 ( 0.000 -2.929 0.000) 2.929 10.475 ( 0.000 0.582 0.000) 0.582 10.504 ( 0.000 0.894 0.000) 0.894======================= Grid point 19 (12/92) =======================q-point: ( 0.11 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 4.590 14.372 3.663) 15.526 0.871 ( 8.033 14.008 4.827) 16.854 1.104 ( -0.757 0.599 -1.521) 1.802 1.195 ( 0.282 0.078 -1.926) 1.948 1.250 ( -1.143 0.803 0.684) 1.556 1.307 ( -1.792 5.293 1.634) 5.822 1.361 ( -1.277 2.331 -3.119) 4.098 1.466 ( -0.190 -4.054 0.227) 4.065 1.542 ( 0.175 -3.255 -1.104) 3.442 1.587 ( 0.955 9.556 0.042) 9.604 1.696 ( 0.323 -0.069 -2.391) 2.414 1.732 ( 1.309 6.549 0.868) 6.735 1.851 ( 2.460 2.735 4.803) 6.050 1.877 ( 1.683 4.810 -2.373) 5.621 1.989 ( -0.629 0.171 3.414) 3.476 2.058 ( -1.618 4.276 -0.356) 4.586 2.147 ( -1.300 1.059 0.547) 1.764 2.197 ( 2.054 3.065 -0.353) 3.706 2.223 ( -0.872 0.182 -0.403) 0.978 2.380 ( -1.253 -1.387 0.272) 1.889 2.454 ( -1.270 2.096 -1.276) 2.763 2.483 ( -1.641 2.757 1.646) 3.606 2.566 ( -2.146 1.485 1.318) 2.923 2.596 ( 0.011 3.365 -0.788) 3.456 2.675 ( 0.888 1.001 0.506) 1.431 2.723 ( 1.645 5.780 -1.046) 6.100 2.823 ( -2.279 5.596 -0.381) 6.054 2.882 ( -1.110 -0.381 -0.177) 1.187 2.925 ( 0.806 -3.412 1.117) 3.679 2.956 ( -1.753 -1.249 -1.760) 2.781 3.053 ( -3.665 -3.373 0.363) 4.994 3.191 ( -0.193 -0.950 -2.387) 2.576 3.254 ( -2.109 -4.307 -0.392) 4.812 3.460 ( -0.987 -5.166 0.203) 5.264 3.526 ( 2.651 -0.350 0.463) 2.713 3.653 ( -1.093 5.556 -1.698) 5.912 4.343 ( 3.075 -4.053 2.255) 5.565 4.482 ( 1.127 -5.232 1.219) 5.489 4.930 ( -2.410 2.407 0.075) 3.407 5.029 ( -0.030 1.241 1.142) 1.687 5.120 ( -1.632 1.992 -0.993) 2.760 5.164 ( -2.571 0.127 -1.190) 2.836 5.530 ( -3.596 -4.210 1.599) 5.763 5.625 ( -2.678 -3.540 -0.870) 4.524 6.147 ( -2.067 -0.652 0.089) 2.170 6.245 ( -0.397 -5.290 -2.946) 6.068 6.440 ( -1.927 -5.957 0.389) 6.273 6.496 ( -2.317 -3.472 2.089) 4.668 6.594 ( 2.255 4.448 -3.004) 5.822 6.682 ( -0.772 4.432 5.036) 6.753 6.858 ( 0.366 1.729 -0.469) 1.828 6.977 ( -1.291 -7.218 -0.974) 7.397 7.363 ( -2.115 4.952 -0.789) 5.442 7.542 ( -4.032 1.809 -1.261) 4.596 7.749 ( -3.951 1.724 0.054) 4.311 7.845 ( -5.511 -0.249 -0.974) 5.602 8.448 ( -1.013 4.924 -0.667) 5.071 8.476 ( -1.726 2.486 1.902) 3.574 8.497 ( -0.317 0.835 0.708) 1.140 8.684 ( -1.051 3.105 2.170) 3.931 8.752 ( -1.137 2.377 -1.342) 2.957 8.835 ( -2.634 -0.848 0.354) 2.789 8.950 ( 2.015 1.572 1.050) 2.763 9.009 ( -2.371 -1.590 -0.027) 2.855 9.117 ( -2.515 -1.004 -0.393) 2.736 9.141 ( 0.238 -0.694 0.932) 1.186 9.245 ( 3.459 3.835 1.013) 5.263 9.350 ( 0.036 -1.882 -1.687) 2.528 9.492 ( -0.560 0.496 -0.247) 0.788 9.612 ( -0.632 -2.834 -1.702) 3.366 9.688 ( 2.293 -2.040 -0.031) 3.069 9.834 ( 7.616 -3.196 -0.087) 8.260 9.938 ( -1.880 -1.544 -0.908) 2.597 9.955 ( -1.283 -0.932 -0.969) 1.859 10.049 ( -2.681 0.325 0.885) 2.842 10.183 ( -0.820 -3.545 0.185) 3.643 10.451 ( -2.307 0.887 -0.155) 2.477 10.490 ( -1.585 0.281 0.269) 1.633======================= Grid point 20 (13/92) =======================q-point: ( 0.22 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( 5.507 11.372 0.180) 12.637 1.027 ( 0.174 9.412 4.052) 10.248 1.103 ( 3.878 0.423 -1.684) 4.249 1.198 ( -0.733 4.512 -1.558) 4.830 1.205 ( 0.518 3.577 -0.249) 3.623 1.298 ( 2.317 5.131 -2.036) 5.987 1.378 ( 3.977 -1.811 1.126) 4.512 1.491 ( 0.709 0.185 3.544) 3.619 1.555 ( 2.464 -2.116 -0.700) 3.323 1.612 ( 0.471 0.477 1.420) 1.571 1.675 ( -0.205 1.833 -1.540) 2.403 1.781 ( 2.827 8.774 0.031) 9.218 1.883 ( 2.217 0.523 -3.234) 3.956 1.906 ( -1.808 1.291 1.546) 2.707 1.977 ( 0.131 2.481 2.163) 3.294 2.077 ( 0.305 4.338 0.959) 4.454 2.115 ( -1.971 0.392 1.436) 2.470 2.204 ( -0.447 -0.125 -0.744) 0.877 2.239 ( 2.669 1.734 -0.433) 3.212 2.356 ( -1.626 -0.702 0.045) 1.772 2.405 ( -3.537 2.687 1.099) 4.576 2.459 ( -1.649 1.415 0.452) 2.219 2.548 ( -1.986 2.004 1.284) 3.100 2.577 ( -1.980 1.642 0.647) 2.652 2.686 ( -1.700 -1.165 -1.378) 2.479 2.743 ( -0.291 0.028 1.284) 1.317 2.797 ( 3.719 8.814 -1.562) 9.693 2.850 ( -2.928 5.699 0.139) 6.409 2.915 ( -4.249 -2.808 0.687) 5.139 2.957 ( -1.264 -2.435 0.445) 2.780 2.960 ( 1.548 -1.814 -1.687) 2.921 3.182 ( -2.899 -1.191 -0.204) 3.141 3.208 ( 0.418 0.165 -1.430) 1.499 3.417 ( -2.388 0.221 -1.986) 3.114 3.588 ( 2.301 -3.380 -0.458) 4.114 3.631 ( 1.343 1.737 -0.476) 2.247 4.433 ( 3.623 -2.404 2.278) 4.908 4.518 ( 1.669 -4.714 0.221) 5.006 4.894 ( -1.528 2.770 0.057) 3.164 5.049 ( -1.064 -0.273 1.918) 2.210 5.088 ( -0.317 -0.483 -1.312) 1.433 5.132 ( 1.416 -0.254 0.022) 1.438 5.525 ( 1.050 -4.898 1.009) 5.110 5.581 ( -0.888 -3.068 -1.008) 3.349 6.108 ( -1.819 -0.432 -0.618) 1.969 6.211 ( -0.801 -3.760 -1.511) 4.130 6.393 ( -3.024 -6.599 -0.576) 7.282 6.476 ( -1.723 -3.197 0.932) 3.750 6.580 ( 0.047 6.631 -3.673) 7.580 6.718 ( -2.824 2.023 5.914) 6.859 6.830 ( -3.103 0.666 0.201) 3.180 6.917 ( -4.129 -4.826 -0.933) 6.419 7.284 ( -5.740 2.078 -1.134) 6.209 7.415 ( -8.140 1.168 -1.904) 8.441 7.675 ( -6.044 0.794 1.219) 6.217 7.732 ( -3.804 0.607 -1.197) 4.034 8.402 ( -2.864 1.837 0.530) 3.444 8.472 ( -0.447 1.158 -0.812) 1.483 8.503 ( -1.847 4.661 2.509) 5.606 8.659 ( -5.128 5.917 -0.207) 7.833 8.724 ( 2.117 0.991 -1.575) 2.819 8.794 ( -3.372 -2.483 3.100) 5.210 8.899 ( -5.820 2.845 -2.570) 6.969 9.009 ( 1.478 0.973 -0.228) 1.784 9.107 ( -0.171 -0.619 1.737) 1.852 9.156 ( 0.266 -0.367 1.287) 1.364 9.275 ( -0.440 2.719 0.298) 2.771 9.326 ( -0.671 -3.266 -0.032) 3.335 9.480 ( -0.279 -0.272 -0.452) 0.597 9.601 ( 0.906 -2.747 -1.054) 3.079 9.722 ( 1.244 -2.473 0.343) 2.790 9.883 ( -2.870 -1.315 -0.633) 3.220 9.922 ( -0.353 1.537 -0.455) 1.641 9.932 ( 2.849 -3.497 -0.361) 4.525 10.001 ( -3.137 0.686 0.589) 3.264 10.167 ( -1.169 -4.050 0.230) 4.221 10.403 ( -2.735 1.091 -0.278) 2.958 10.455 ( -2.517 -0.073 -0.039) 2.519======================= Grid point 21 (14/92) =======================q-point: ( 0.33 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( 3.862 8.512 -1.433) 9.457 1.040 ( -1.321 7.465 2.094) 7.865 1.158 ( 4.616 1.340 -0.113) 4.808 1.165 ( -0.505 1.524 -0.715) 1.758 1.240 ( 2.861 3.566 -0.668) 4.620 1.352 ( 1.967 1.405 -0.050) 2.418 1.448 ( 3.194 6.124 -1.605) 7.091 1.522 ( 1.363 1.312 1.372) 2.337 1.608 ( 0.510 -0.189 1.493) 1.589 1.638 ( 0.539 3.171 1.223) 3.441 1.680 ( 2.360 1.759 0.415) 2.972 1.799 ( 0.702 4.747 -1.603) 5.059 1.859 ( 0.441 3.500 -2.509) 4.329 1.935 ( 2.243 -0.104 1.688) 2.809 1.997 ( -1.080 3.106 -1.154) 3.485 2.057 ( -0.104 -0.766 -0.590) 0.973 2.130 ( -0.029 1.197 2.270) 2.567 2.189 ( 0.100 0.598 -0.039) 0.608 2.270 ( 0.736 1.447 -0.620) 1.738 2.347 ( 0.638 0.834 0.302) 1.093 2.366 ( -3.773 0.863 4.303) 5.787 2.440 ( -0.523 1.050 -0.962) 1.517 2.506 ( -3.305 0.869 1.023) 3.568 2.557 ( -1.330 2.799 0.393) 3.124 2.625 ( -2.027 -0.229 -0.288) 2.060 2.755 ( -1.724 5.154 0.817) 5.496 2.776 ( -2.609 2.174 -1.009) 3.543 2.804 ( -3.405 -1.564 -1.490) 4.033 2.882 ( 0.273 -2.260 0.733) 2.392 2.967 ( 2.970 1.120 -0.393) 3.198 2.980 ( -0.689 -5.182 -1.153) 5.354 3.124 ( -2.578 1.328 0.664) 2.975 3.239 ( 3.557 5.139 0.747) 6.294 3.354 ( -1.690 2.460 -1.740) 3.454 3.570 ( -1.228 -2.340 -1.636) 3.108 3.695 ( 3.483 -2.463 0.869) 4.354 4.493 ( 1.368 -0.540 0.265) 1.495 4.538 ( 1.143 -4.136 -0.956) 4.397 4.881 ( -0.461 3.818 0.744) 3.917 5.019 ( -1.156 0.698 -0.633) 1.492 5.111 ( 1.443 -2.617 2.071) 3.636 5.191 ( 2.649 -0.854 1.775) 3.301 5.563 ( 2.968 -3.170 -1.395) 4.561 5.593 ( 2.552 -2.223 0.431) 3.412 6.078 ( -0.240 -0.551 -1.133) 1.283 6.173 ( -2.687 -2.658 -0.363) 3.797 6.345 ( -1.100 -8.153 -0.468) 8.240 6.453 ( -0.709 -4.697 -1.297) 4.925 6.527 ( -1.946 6.274 -2.637) 7.079 6.663 ( -7.706 1.296 2.186) 8.114 6.773 ( -5.177 -0.880 1.514) 5.465 6.838 ( -3.898 -1.923 0.695) 4.402 7.154 ( -7.036 -1.396 -0.906) 7.230 7.243 ( -8.061 -1.246 -1.557) 8.304 7.571 ( -5.740 2.233 0.972) 6.235 7.702 ( -0.200 1.129 0.197) 1.163 8.364 ( -2.042 1.848 -0.479) 2.795 8.433 ( -2.897 1.947 -0.465) 3.521 8.473 ( -3.102 4.035 1.592) 5.333 8.563 ( -4.640 6.522 -0.662) 8.032 8.734 ( -0.379 2.673 -0.340) 2.722 8.783 ( -1.043 2.661 -3.992) 4.910 8.811 ( -1.020 -2.400 4.607) 5.293 9.004 ( 0.309 0.772 -2.242) 2.391 9.132 ( -0.353 1.067 2.651) 2.879 9.171 ( -0.046 0.494 1.134) 1.238 9.257 ( -0.976 0.513 -0.491) 1.207 9.331 ( 0.377 -4.400 0.574) 4.453 9.477 ( 0.313 -0.831 -0.177) 0.905 9.602 ( 0.411 -3.394 -1.100) 3.591 9.740 ( 0.131 -3.259 0.507) 3.300 9.837 ( -2.160 -1.856 -0.069) 2.849 9.897 ( -0.956 3.556 0.403) 3.704 9.964 ( -0.196 1.189 1.266) 1.748 9.978 ( 1.190 -2.446 -1.604) 3.157 10.146 ( -1.340 -4.230 -0.078) 4.438 10.352 ( -2.406 0.688 -0.549) 2.562 10.405 ( -2.904 -0.266 0.071) 2.917======================= Grid point 22 (15/92) =======================q-point: ( 0.44 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.980 ( 1.028 7.626 -0.572) 7.716 1.038 ( -0.436 6.865 0.744) 6.919 1.156 ( 0.038 -0.279 -0.250) 0.377 1.228 ( 1.791 -1.218 -0.301) 2.187 1.305 ( -0.366 1.334 0.555) 1.490 1.340 ( 3.825 2.436 1.023) 4.649 1.471 ( -1.277 3.622 -0.948) 3.956 1.559 ( 0.708 2.926 -0.434) 3.041 1.605 ( 1.218 3.969 -0.807) 4.230 1.670 ( 1.133 3.498 1.623) 4.019 1.724 ( 1.220 3.259 0.892) 3.592 1.797 ( 0.581 5.031 -1.236) 5.213 1.840 ( -1.147 5.268 -0.743) 5.443 1.917 ( -2.835 2.873 -2.035) 4.521 1.974 ( 0.706 0.869 -0.950) 1.468 2.088 ( 2.022 -2.209 0.780) 3.095 2.155 ( 0.832 -1.234 1.966) 2.466 2.232 ( 3.028 2.381 0.640) 3.905 2.249 ( -1.920 1.800 0.157) 2.636 2.344 ( -2.635 1.321 2.073) 3.603 2.370 ( 1.059 0.896 -0.722) 1.564 2.421 ( -0.386 2.018 -0.560) 2.130 2.490 ( -0.189 2.382 1.972) 3.098 2.539 ( -0.598 2.247 -0.857) 2.478 2.611 ( -0.846 -0.960 2.620) 2.916 2.672 ( -2.686 3.315 -4.716) 6.360 2.710 ( -2.812 0.836 -0.092) 2.935 2.794 ( 0.591 -1.137 0.553) 1.396 2.888 ( -0.261 -1.220 1.037) 1.622 2.927 ( -1.359 -2.902 -2.571) 4.109 3.020 ( 1.665 -2.047 0.886) 2.783 3.096 ( -1.719 1.527 0.920) 2.476 3.286 ( 1.095 5.218 -1.378) 5.507 3.361 ( 1.871 -0.212 1.026) 2.144 3.535 ( -1.071 -0.366 -0.254) 1.160 3.744 ( 1.313 -4.011 0.177) 4.224 4.496 ( -0.130 0.883 -0.499) 1.023 4.542 ( 0.267 -3.730 -0.513) 3.774 4.885 ( 0.037 5.464 0.266) 5.470 5.010 ( 0.064 1.229 0.067) 1.232 5.162 ( 1.502 -2.439 1.375) 3.177 5.231 ( 0.206 -0.310 0.933) 1.004 5.607 ( 2.572 -2.505 -0.728) 3.664 5.633 ( 1.239 -0.470 -0.142) 1.333 6.085 ( 2.152 -1.662 -1.097) 2.932 6.121 ( -2.888 -2.661 0.597) 3.972 6.339 ( 0.124 -8.388 -0.189) 8.391 6.432 ( 0.243 -5.559 -1.356) 5.728 6.474 ( -1.106 2.640 -0.941) 3.013 6.554 ( -5.043 0.524 0.719) 5.121 6.692 ( -3.507 -1.205 0.421) 3.732 6.789 ( -2.505 0.712 0.829) 2.733 7.051 ( -3.183 -3.221 -0.341) 4.541 7.138 ( -2.434 -4.412 -0.525) 5.067 7.510 ( -2.124 4.651 0.608) 5.150 7.707 ( 0.201 1.521 0.151) 1.541 8.315 ( -1.682 4.444 -0.723) 4.807 8.406 ( 0.146 0.062 -0.581) 0.603 8.440 ( -2.130 3.453 1.309) 4.263 8.490 ( -2.419 6.350 -0.295) 6.801 8.717 ( -0.434 9.297 -0.415) 9.316 8.754 ( 0.062 -2.051 -0.687) 2.164 8.845 ( 0.329 -3.051 1.257) 3.316 8.998 ( 0.748 1.258 -0.781) 1.659 9.138 ( -0.550 0.949 0.805) 1.361 9.169 ( -0.878 3.292 0.038) 3.407 9.259 ( 1.051 -2.955 0.442) 3.167 9.331 ( -0.656 -4.784 -0.079) 4.830 9.483 ( 0.328 -1.153 -0.012) 1.199 9.602 ( 0.391 -4.000 -0.319) 4.032 9.739 ( -0.287 -3.233 0.157) 3.249 9.794 ( -1.893 -0.702 -0.070) 2.021 9.921 ( 2.104 2.457 0.905) 3.359 9.965 ( -1.078 2.102 -0.586) 2.434 9.982 ( 0.607 -1.056 0.009) 1.218 10.123 ( -0.868 -4.357 -0.224) 4.448 10.316 ( -0.916 -0.060 -0.420) 1.009 10.366 ( -1.434 -0.476 0.186) 1.523======================= Grid point 27 (16/92) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 0.000 13.598 0.000) 13.598 1.040 ( 0.000 9.220 0.000) 9.220 1.116 ( 0.000 -1.175 0.000) 1.175 1.146 ( 0.000 -4.382 0.000) 4.382 1.210 ( 0.000 0.820 0.000) 0.820 1.311 ( 0.000 -8.935 0.000) 8.935 1.475 ( 0.000 2.691 0.000) 2.691 1.494 ( 0.000 6.143 0.000) 6.143 1.532 ( 0.000 1.200 0.000) 1.200 1.652 ( 0.000 -3.853 0.000) 3.853 1.695 ( 0.000 0.048 0.000) 0.048 1.703 ( 0.000 -1.806 0.000) 1.806 1.892 ( 0.000 8.662 0.000) 8.662 1.998 ( 0.000 2.336 0.000) 2.336 2.011 ( 0.000 1.464 0.000) 1.464 2.063 ( 0.000 -6.138 0.000) 6.138 2.175 ( 0.000 1.559 0.000) 1.559 2.209 ( 0.000 -1.098 0.000) 1.098 2.254 ( 0.000 4.074 0.000) 4.074 2.346 ( 0.000 -4.797 0.000) 4.797 2.468 ( 0.000 3.397 0.000) 3.397 2.518 ( 0.000 -1.110 0.000) 1.110 2.632 ( 0.000 3.251 0.000) 3.251 2.674 ( 0.000 -0.892 0.000) 0.892 2.687 ( 0.000 4.715 0.000) 4.715 2.803 ( 0.000 -5.713 0.000) 5.713 2.868 ( 0.000 1.833 0.000) 1.833 2.885 ( 0.000 5.125 0.000) 5.125 2.960 ( 0.000 2.295 0.000) 2.295 3.022 ( 0.000 7.430 0.000) 7.430 3.107 ( 0.000 7.509 0.000) 7.509 3.146 ( 0.000 -8.468 0.000) 8.468 3.158 ( 0.000 -6.070 0.000) 6.070 3.285 ( 0.000 -9.729 0.000) 9.729 3.603 ( 0.000 10.240 0.000) 10.240 3.760 ( 0.000 -2.134 0.000) 2.134 4.234 ( 0.000 0.488 0.000) 0.488 4.334 ( 0.000 -7.676 0.000) 7.676 5.010 ( 0.000 3.088 0.000) 3.088 5.051 ( 0.000 -0.838 0.000) 0.838 5.198 ( 0.000 2.231 0.000) 2.231 5.209 ( 0.000 0.678 0.000) 0.678 5.581 ( 0.000 -1.161 0.000) 1.161 5.603 ( 0.000 -3.393 0.000) 3.393 6.149 ( 0.000 -1.082 0.000) 1.082 6.165 ( 0.000 -3.389 0.000) 3.389 6.392 ( 0.000 -0.470 0.000) 0.470 6.428 ( 0.000 -3.648 0.000) 3.648 6.682 ( 0.000 6.058 0.000) 6.058 6.769 ( 0.000 4.677 0.000) 4.677 6.820 ( 0.000 -7.314 0.000) 7.314 6.830 ( 0.000 -2.717 0.000) 2.717 7.501 ( 0.000 5.471 0.000) 5.471 7.575 ( 0.000 -1.954 0.000) 1.954 7.843 ( 0.000 2.936 0.000) 2.936 7.887 ( 0.000 -1.682 0.000) 1.682 8.500 ( 0.000 1.133 0.000) 1.133 8.519 ( 0.000 0.087 0.000) 0.087 8.597 ( 0.000 6.099 0.000) 6.099 8.694 ( 0.000 -3.222 0.000) 3.222 8.809 ( 0.000 4.206 0.000) 4.206 8.861 ( 0.000 -0.294 0.000) 0.294 8.942 ( 0.000 -0.009 0.000) 0.009 8.957 ( 0.000 -3.228 0.000) 3.228 9.122 ( 0.000 0.909 0.000) 0.909 9.152 ( 0.000 -1.584 0.000) 1.584 9.260 ( 0.000 3.780 0.000) 3.780 9.297 ( 0.000 -0.462 0.000) 0.462 9.514 ( 0.000 -0.204 0.000) 0.204 9.523 ( 0.000 -1.677 0.000) 1.677 9.627 ( 0.000 -0.871 0.000) 0.871 9.655 ( 0.000 -3.864 0.000) 3.864 9.954 ( 0.000 0.404 0.000) 0.404 9.962 ( 0.000 -0.309 0.000) 0.309 10.095 ( 0.000 2.284 0.000) 2.284 10.139 ( 0.000 -2.414 0.000) 2.414 10.487 ( 0.000 0.770 0.000) 0.770 10.503 ( 0.000 -0.732 0.000) 0.732======================= Grid point 28 (17/92) =======================q-point: ( 0.11 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( 1.758 10.178 1.614) 10.454 1.066 ( 2.556 4.868 0.283) 5.506 1.126 ( 0.678 1.620 0.182) 1.766 1.185 ( 1.427 -4.273 3.082) 5.458 1.221 ( 2.946 3.641 0.189) 4.687 1.337 ( 3.347 -6.601 -1.359) 7.525 1.395 ( -4.894 2.321 -1.967) 5.763 1.446 ( -2.723 -2.051 -2.656) 4.322 1.529 ( -0.071 7.157 1.154) 7.249 1.658 ( 0.890 -4.671 -1.760) 5.070 1.698 ( 0.590 4.326 -0.377) 4.383 1.757 ( 2.517 -1.868 2.608) 4.078 1.921 ( 1.501 5.586 1.470) 5.968 1.973 ( -0.460 2.281 -2.544) 3.448 2.005 ( -2.086 0.448 2.021) 2.938 2.062 ( -0.300 -4.935 1.149) 5.076 2.177 ( -0.440 1.862 0.120) 1.917 2.213 ( -0.416 -1.245 0.444) 1.386 2.264 ( 0.920 4.443 -0.453) 4.559 2.346 ( -0.307 -3.316 -0.606) 3.385 2.458 ( -1.591 2.005 0.635) 2.637 2.499 ( -2.619 -1.304 0.832) 3.041 2.624 ( -1.288 3.072 0.872) 3.443 2.652 ( -2.761 0.855 0.469) 2.928 2.700 ( 1.776 3.273 0.302) 3.736 2.801 ( -2.321 -2.018 0.505) 3.117 2.822 ( -1.497 -0.340 -0.237) 1.553 2.883 ( -2.583 -3.167 0.511) 4.119 2.951 ( 1.455 7.488 -2.540) 8.040 3.001 ( -0.666 3.611 -1.715) 4.053 3.067 ( -3.371 3.742 -0.310) 5.046 3.159 ( 2.977 -5.686 -1.987) 6.719 3.179 ( 1.977 1.050 0.476) 2.289 3.309 ( 1.142 -9.396 1.375) 9.565 3.602 ( -1.004 8.693 1.513) 8.881 3.727 ( -2.989 -1.034 -0.340) 3.181 4.288 ( 4.008 0.036 2.176) 4.561 4.366 ( 2.499 -6.499 1.136) 7.055 4.988 ( -2.202 3.482 0.183) 4.124 5.039 ( -1.109 -1.165 0.244) 1.627 5.152 ( -3.862 1.234 -1.245) 4.241 5.165 ( -3.134 0.007 -1.783) 3.605 5.477 ( -4.475 0.039 0.345) 4.489 5.539 ( -2.795 -5.268 -0.991) 6.045 6.136 ( -1.118 -0.071 0.070) 1.122 6.162 ( -0.128 -3.070 -0.564) 3.124 6.372 ( -1.973 -0.233 -0.037) 1.987 6.417 ( -1.629 -4.241 0.817) 4.616 6.683 ( 0.012 5.436 1.515) 5.644 6.768 ( -1.430 1.041 2.859) 3.362 6.841 ( 1.283 -3.226 -1.546) 3.801 6.869 ( 1.654 -1.751 -1.872) 3.050 7.467 ( -3.075 5.374 -1.696) 6.420 7.542 ( -3.622 -2.199 -1.787) 4.599 7.791 ( -5.044 2.512 0.303) 5.643 7.829 ( -5.567 -1.488 -0.226) 5.767 8.482 ( -2.269 0.464 -0.000) 2.316 8.489 ( -2.462 -0.245 0.741) 2.582 8.600 ( 0.241 7.347 1.841) 7.578 8.714 ( -0.579 -3.361 3.248) 4.709 8.785 ( -1.212 3.317 -1.752) 3.942 8.833 ( -2.608 -0.250 -1.028) 2.814 8.957 ( 0.902 -1.198 2.072) 2.558 8.963 ( 0.910 -1.284 0.178) 1.584 9.114 ( -1.288 0.641 0.643) 1.576 9.131 ( -1.027 -0.602 0.390) 1.253 9.323 ( 1.995 3.194 -1.877) 4.208 9.349 ( 1.973 1.099 -1.867) 2.930 9.493 ( -1.126 -0.019 0.319) 1.170 9.529 ( -0.980 -4.325 -0.167) 4.438 9.670 ( 3.666 0.778 -0.598) 3.795 9.734 ( 6.258 -5.644 -0.671) 8.453 9.938 ( -0.955 0.812 -0.549) 1.369 9.948 ( -0.697 -0.135 -0.612) 0.937 10.081 ( -1.998 2.363 0.656) 3.163 10.127 ( -1.539 -2.655 0.448) 3.101 10.466 ( -2.046 0.856 0.050) 2.219 10.483 ( -1.986 -0.817 0.276) 2.165======================= Grid point 29 (18/92) =======================q-point: ( 0.22 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 2.805 6.850 -0.585) 7.425 1.111 ( 2.332 -0.208 -0.627) 2.424 1.143 ( -0.224 3.853 2.277) 4.481 1.207 ( -0.412 -2.687 1.075) 2.923 1.296 ( -0.846 4.495 -2.217) 5.083 1.327 ( 0.891 1.739 -0.365) 1.988 1.398 ( 7.832 -0.655 2.327) 8.197 1.471 ( 7.019 -6.047 -0.082) 9.265 1.555 ( 1.154 6.970 2.012) 7.345 1.638 ( -0.161 -0.555 -1.781) 1.873 1.716 ( 1.124 4.681 -0.197) 4.818 1.814 ( 1.936 -3.265 0.694) 3.858 1.914 ( -3.066 1.323 -0.546) 3.383 1.936 ( -0.091 0.908 -3.415) 3.535 2.023 ( 0.639 2.498 4.414) 5.112 2.086 ( 0.502 -3.592 2.684) 4.512 2.146 ( -2.688 2.588 -0.941) 3.848 2.194 ( -1.606 -1.592 -0.335) 2.286 2.285 ( 2.100 3.114 -0.327) 3.770 2.334 ( 0.510 -1.695 -0.812) 1.947 2.425 ( -3.562 1.597 1.864) 4.326 2.457 ( -3.132 -1.329 1.473) 3.707 2.598 ( -3.878 2.626 1.976) 5.083 2.611 ( -2.251 1.240 1.164) 2.821 2.730 ( -0.068 3.315 -0.978) 3.457 2.736 ( -2.300 1.315 0.382) 2.676 2.814 ( -2.515 -4.653 1.800) 5.587 2.833 ( -1.066 -4.017 -2.389) 4.794 2.935 ( -0.499 1.877 -2.163) 2.907 2.964 ( -0.833 -0.312 -2.255) 2.424 3.039 ( -0.518 9.890 -0.111) 9.904 3.163 ( 0.119 -1.574 -0.257) 1.599 3.241 ( 4.574 1.667 -2.389) 5.423 3.332 ( 0.102 -7.104 0.391) 7.115 3.601 ( -1.286 5.571 2.053) 6.075 3.679 ( -1.472 0.109 -0.127) 1.482 4.393 ( 4.660 -0.828 2.066) 5.164 4.429 ( 3.191 -4.109 0.585) 5.235 4.957 ( -1.152 3.732 0.427) 3.929 5.023 ( -1.521 -2.805 1.170) 3.398 5.084 ( -1.585 0.752 -1.691) 2.436 5.113 ( -0.122 -1.748 -0.737) 1.901 5.469 ( 2.604 -0.071 -0.263) 2.618 5.514 ( 1.081 -3.900 -1.153) 4.208 6.114 ( -1.175 1.140 -0.406) 1.686 6.154 ( -0.275 -2.871 -0.041) 2.884 6.316 ( -3.722 0.261 -1.403) 3.987 6.386 ( -2.421 -5.642 -0.382) 6.151 6.694 ( -1.144 5.364 1.300) 5.637 6.765 ( -2.837 0.738 2.730) 4.006 6.812 ( -3.262 -1.762 -0.148) 3.710 6.840 ( -2.722 -2.311 -1.259) 3.786 7.345 ( -7.736 3.862 -2.963) 9.140 7.408 ( -8.200 -2.190 -3.501) 9.181 7.702 ( -6.429 1.840 2.225) 7.048 7.731 ( -4.799 -0.895 1.005) 4.984 8.434 ( -2.725 1.764 0.678) 3.316 8.467 ( -1.303 -1.414 0.281) 1.943 8.612 ( -2.130 6.408 2.034) 7.052 8.722 ( -2.756 -4.843 1.710) 5.829 8.753 ( -1.384 3.247 -0.604) 3.581 8.765 ( -0.854 1.935 -1.916) 2.854 8.944 ( -2.201 1.929 -1.406) 3.247 8.988 ( 0.581 -2.826 0.576) 2.942 9.121 ( 0.805 1.893 1.290) 2.428 9.144 ( 0.207 -0.657 2.300) 2.401 9.287 ( -2.013 0.976 -0.898) 2.411 9.326 ( -1.574 -0.628 -1.568) 2.308 9.485 ( -0.267 1.085 0.074) 1.120 9.526 ( 0.244 -3.530 0.582) 3.586 9.702 ( 0.484 1.278 -0.407) 1.426 9.779 ( -0.054 -6.378 -0.938) 6.447 9.932 ( 0.774 1.226 -0.111) 1.455 9.943 ( 1.055 0.290 -0.244) 1.121 10.042 ( -2.808 2.884 0.366) 4.042 10.099 ( -1.901 -3.320 0.292) 3.837 10.423 ( -2.769 1.079 -0.088) 2.973 10.444 ( -2.739 -0.986 0.056) 2.912======================= Grid point 30 (19/92) =======================q-point: ( 0.33 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 1.341 4.921 -0.636) 5.140 1.130 ( -0.393 -0.074 0.340) 0.525 1.158 ( 0.851 2.623 -0.102) 2.759 1.197 ( 0.290 -0.281 -0.720) 0.826 1.306 ( 2.164 2.844 0.265) 3.583 1.340 ( 1.070 -1.092 0.323) 1.563 1.536 ( 1.495 2.728 -0.126) 3.113 1.575 ( 1.374 0.577 0.015) 1.490 1.625 ( 6.533 1.480 1.075) 6.784 1.663 ( 3.145 -0.447 2.734) 4.191 1.737 ( 3.108 5.956 -1.145) 6.815 1.823 ( -0.410 -0.312 -1.019) 1.142 1.903 ( 3.188 -2.170 1.524) 4.147 1.917 ( 2.511 -0.196 -3.095) 3.990 2.055 ( -2.688 1.821 0.385) 3.270 2.061 ( -4.036 1.474 -1.818) 4.666 2.127 ( 0.073 0.251 3.029) 3.040 2.178 ( 0.274 -2.934 2.051) 3.590 2.319 ( 1.954 3.005 -1.403) 3.849 2.353 ( 2.425 -0.425 -1.035) 2.670 2.380 ( -4.018 2.159 3.143) 5.539 2.425 ( -2.568 -2.106 2.074) 3.916 2.557 ( -3.233 3.097 2.980) 5.378 2.583 ( -2.614 0.284 1.933) 3.263 2.670 ( -1.930 3.644 -1.899) 4.539 2.734 ( -2.599 -3.314 0.186) 4.216 2.763 ( -0.721 0.225 -0.706) 1.034 2.816 ( -0.781 -4.607 -0.208) 4.678 2.903 ( -0.945 1.638 -1.784) 2.599 2.924 ( -1.412 -0.629 -1.623) 2.241 3.022 ( -0.667 8.780 -0.569) 8.823 3.161 ( -0.639 -0.119 0.318) 0.724 3.270 ( 2.196 -2.095 -3.848) 4.901 3.318 ( -1.127 -4.332 -0.541) 4.509 3.605 ( -0.356 5.687 1.840) 5.988 3.680 ( 0.936 -1.050 0.482) 1.486 4.473 ( 2.632 -1.098 0.343) 2.872 4.478 ( 2.252 -1.878 -0.460) 2.968 4.960 ( 0.528 3.769 0.693) 3.868 5.016 ( -0.563 -2.152 0.980) 2.431 5.076 ( 1.578 1.451 0.896) 2.323 5.143 ( 2.239 -3.909 1.503) 4.749 5.534 ( 4.697 -0.005 -1.084) 4.821 5.554 ( 4.284 -1.776 -0.116) 4.639 6.089 ( -0.459 1.832 -1.432) 2.370 6.156 ( 0.250 -3.306 0.467) 3.348 6.216 ( -4.886 0.287 -2.370) 5.439 6.322 ( -3.220 -7.803 -1.837) 8.639 6.653 ( -3.820 5.865 -1.059) 7.079 6.691 ( -7.670 1.268 1.026) 7.841 6.748 ( -5.238 -1.172 1.713) 5.634 6.781 ( -2.193 -3.790 0.737) 4.440 7.163 ( -8.690 2.019 -2.265) 9.205 7.210 ( -8.990 -2.430 -3.171) 9.838 7.630 ( -4.176 3.687 2.628) 6.159 7.691 ( -1.954 -2.259 2.136) 3.672 8.403 ( -1.593 2.201 0.063) 2.718 8.438 ( -2.428 -1.185 0.269) 2.716 8.570 ( -3.417 5.556 0.534) 6.545 8.646 ( -4.163 -0.386 -1.218) 4.354 8.733 ( -0.754 1.104 0.548) 1.444 8.771 ( 0.855 -1.481 -0.409) 1.758 8.900 ( -0.737 6.349 -0.860) 6.449 8.993 ( 0.460 -3.090 -0.830) 3.233 9.141 ( -0.367 1.086 1.685) 2.038 9.161 ( -0.643 -0.924 1.263) 1.692 9.263 ( -0.439 0.584 0.250) 0.772 9.299 ( 0.112 -1.080 -0.743) 1.315 9.481 ( -0.332 1.538 -0.091) 1.576 9.529 ( -0.482 -3.431 0.046) 3.465 9.696 ( -0.384 -0.263 0.074) 0.471 9.748 ( -1.751 -5.363 -0.489) 5.662 9.951 ( 0.792 2.065 0.497) 2.267 9.973 ( 1.687 -0.209 0.357) 1.737 10.003 ( -1.073 3.181 -0.416) 3.383 10.070 ( -1.413 -3.876 -0.286) 4.135 10.370 ( -2.977 1.117 -0.178) 3.185 10.392 ( -3.082 -1.077 0.091) 3.266======================= Grid point 31 (20/92) =======================q-point: ( 0.44 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 0.153 3.618 0.037) 3.622 1.121 ( -0.490 0.413 0.170) 0.663 1.168 ( 0.788 2.725 -0.653) 2.910 1.208 ( 0.861 -1.221 -0.429) 1.555 1.329 ( -1.249 1.500 0.273) 1.971 1.357 ( 1.140 -0.820 0.831) 1.631 1.527 ( -0.306 3.206 -0.774) 3.313 1.574 ( -0.216 -1.101 0.214) 1.142 1.715 ( 3.555 4.342 -0.733) 5.660 1.732 ( 1.640 1.916 1.101) 2.752 1.780 ( 1.178 3.402 0.754) 3.678 1.831 ( 0.685 -0.839 -0.020) 1.083 1.927 ( -0.356 3.531 -1.493) 3.850 1.970 ( -3.938 0.337 -0.985) 4.073 1.985 ( 0.625 0.914 -1.627) 1.969 2.018 ( 4.755 -3.417 0.262) 5.862 2.164 ( 0.601 2.229 2.418) 3.343 2.213 ( -0.451 -1.982 1.656) 2.622 2.308 ( -0.226 2.399 -0.766) 2.529 2.349 ( -2.091 -0.704 0.573) 2.280 2.391 ( 1.269 0.893 0.194) 1.564 2.418 ( -0.036 -2.135 0.959) 2.340 2.548 ( -1.255 2.933 2.219) 3.886 2.568 ( -1.199 0.700 1.241) 1.862 2.634 ( -0.343 3.363 -0.377) 3.401 2.683 ( -1.360 -0.933 -1.092) 1.978 2.765 ( 0.339 -0.904 0.197) 0.985 2.786 ( -1.607 -1.088 -1.038) 2.201 2.868 ( -1.131 2.652 -0.049) 2.883 2.889 ( -0.398 -0.555 -1.587) 1.728 3.015 ( 0.010 4.414 0.050) 4.415 3.150 ( -0.689 0.393 0.273) 0.839 3.249 ( -0.215 -5.875 -1.810) 6.151 3.301 ( -0.136 -3.892 -0.589) 3.939 3.621 ( 0.185 6.358 0.878) 6.421 3.700 ( 0.610 -1.922 0.157) 2.022 4.498 ( 0.631 -0.593 -0.276) 0.909 4.499 ( 0.615 -0.783 -0.368) 1.062 4.979 ( 0.797 3.851 0.098) 3.934 5.021 ( 0.158 -0.693 0.308) 0.774 5.137 ( 2.300 0.933 1.743) 3.033 5.188 ( 0.450 -3.327 1.103) 3.533 5.598 ( 2.879 1.216 -0.464) 3.159 5.625 ( 2.668 -1.002 -0.129) 2.853 6.073 ( 0.575 0.882 -1.760) 2.051 6.124 ( -2.843 1.400 -0.388) 3.193 6.170 ( 0.552 -5.745 0.027) 5.771 6.260 ( -1.436 -8.926 -0.833) 9.079 6.561 ( -4.057 2.490 -0.217) 4.765 6.566 ( -5.151 0.816 -0.194) 5.218 6.690 ( -2.010 2.247 0.328) 3.033 6.762 ( -0.966 -3.614 0.578) 3.785 7.031 ( -3.748 1.017 -0.743) 3.954 7.071 ( -3.516 -2.883 -1.022) 4.661 7.607 ( -1.166 5.350 1.302) 5.629 7.692 ( -0.356 -3.070 1.058) 3.266 8.377 ( -0.825 2.095 -0.406) 2.288 8.400 ( -1.487 -0.586 0.057) 1.599 8.526 ( -1.434 4.982 -0.026) 5.184 8.582 ( -1.730 1.098 -0.461) 2.100 8.728 ( -0.209 0.987 0.101) 1.014 8.785 ( 0.793 -3.263 -0.017) 3.358 8.890 ( -0.208 7.798 -0.134) 7.802 8.994 ( 0.457 -2.888 -0.550) 2.976 9.142 ( -0.716 0.091 0.703) 1.008 9.162 ( -0.185 -1.980 0.446) 2.038 9.274 ( 1.079 2.178 0.437) 2.469 9.296 ( -0.446 0.682 -0.396) 0.906 9.472 ( -0.339 0.234 -0.055) 0.416 9.517 ( -0.502 -4.239 -0.150) 4.272 9.694 ( -0.109 -1.065 0.124) 1.077 9.722 ( -0.747 -4.299 -0.120) 4.365 9.957 ( -0.392 2.939 0.419) 2.995 9.999 ( 0.761 0.660 -0.081) 1.010 10.008 ( 1.276 1.107 0.482) 1.757 10.044 ( -0.888 -3.370 -0.804) 3.576 10.326 ( -1.451 1.014 -0.127) 1.774 10.349 ( -1.561 -1.232 0.106) 1.992======================= Grid point 63 (21/92) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.387 ( -3.913 0.000 19.107) 19.504 0.428 ( 8.210 0.000 20.776) 22.339 0.707 ( -3.870 0.000 32.753) 32.981 1.125 ( 0.363 0.000 -2.083) 2.114 1.127 ( 0.224 0.000 -1.826) 1.839 1.304 ( -2.917 0.000 -1.317) 3.201 1.305 ( -5.492 0.000 -5.217) 7.575 1.494 ( 0.319 0.000 -1.323) 1.361 1.504 ( 0.653 0.000 -5.269) 5.309 1.537 ( 3.373 0.000 0.904) 3.492 1.553 ( 0.694 0.000 -1.688) 1.825 1.669 ( 1.379 0.000 -1.092) 1.759 1.773 ( 2.087 0.000 -0.540) 2.156 1.859 ( 0.848 0.000 1.057) 1.355 1.874 ( 1.774 0.000 1.618) 2.401 2.015 ( 2.895 0.000 1.705) 3.360 2.059 ( 0.941 0.000 -4.034) 4.142 2.174 ( -2.471 0.000 2.109) 3.249 2.186 ( -1.039 0.000 3.706) 3.849 2.311 ( -1.713 0.000 -3.583) 3.971 2.438 ( -0.347 0.000 -2.531) 2.555 2.460 ( 0.710 0.000 0.554) 0.901 2.531 ( -0.275 0.000 -0.432) 0.512 2.544 ( -2.491 0.000 1.252) 2.787 2.615 ( 3.196 0.000 0.979) 3.343 2.678 ( -0.920 0.000 0.567) 1.081 2.720 ( -1.167 0.000 -0.684) 1.353 2.893 ( 1.326 0.000 -3.301) 3.558 3.010 ( 0.413 0.000 -1.653) 1.704 3.093 ( -3.706 0.000 2.361) 4.394 3.166 ( 1.807 0.000 -2.789) 3.323 3.297 ( 0.386 0.000 -6.542) 6.553 3.393 ( -4.450 0.000 0.482) 4.476 3.422 ( 1.417 0.000 -1.944) 2.405 3.451 ( 2.393 0.000 0.152) 2.398 3.575 ( 0.630 0.000 -3.386) 3.444 4.461 ( 8.294 0.000 3.532) 9.014 4.573 ( 0.394 0.000 1.223) 1.285 4.964 ( -1.349 0.000 3.136) 3.414 5.048 ( -1.717 0.000 -0.194) 1.728 5.075 ( 1.484 0.000 1.215) 1.918 5.116 ( 0.768 0.000 -0.156) 0.783 5.665 ( -0.486 0.000 0.644) 0.807 5.705 ( -1.056 0.000 -0.197) 1.074 6.168 ( -0.247 0.000 1.582) 1.601 6.404 ( -5.691 0.000 -2.015) 6.037 6.439 ( 8.102 0.000 -1.244) 8.197 6.475 ( -3.271 0.000 -0.515) 3.312 6.631 ( -5.578 0.000 0.583) 5.608 6.675 ( 1.993 0.000 -0.054) 1.994 6.898 ( -0.265 0.000 4.468) 4.476 7.096 ( 0.837 0.000 -0.262) 0.877 7.272 ( 1.860 0.000 -0.055) 1.860 7.490 ( -3.478 0.000 -4.886) 5.998 7.777 ( -0.222 0.000 2.641) 2.650 7.888 ( -1.958 0.000 0.256) 1.975 8.371 ( -2.179 0.000 1.061) 2.423 8.378 ( 2.155 0.000 1.477) 2.613 8.516 ( -2.356 0.000 2.174) 3.206 8.645 ( 1.507 0.000 -1.450) 2.091 8.679 ( 4.573 0.000 -0.690) 4.625 8.751 ( -6.945 0.000 -2.607) 7.418 8.907 ( 1.871 0.000 1.298) 2.278 9.035 ( -1.431 0.000 -2.473) 2.857 9.101 ( -0.315 0.000 2.416) 2.437 9.247 ( 1.442 0.000 1.677) 2.212 9.253 ( -2.857 0.000 -1.822) 3.388 9.355 ( 1.306 0.000 1.875) 2.285 9.416 ( 0.191 0.000 -1.808) 1.818 9.567 ( -25.526 0.000 -3.829) 25.811 9.735 ( -0.841 0.000 1.639) 1.842 9.785 ( -0.559 0.000 1.550) 1.648 9.953 ( -1.101 0.000 0.817) 1.371 10.013 ( -0.382 0.000 -1.237) 1.295 10.204 ( -2.511 0.000 1.459) 2.904 10.310 ( 1.707 0.000 -1.272) 2.129 10.438 ( 0.491 0.000 -0.319) 0.585 10.456 ( -6.829 0.000 -0.798) 6.876======================= Grid point 64 (22/92) =======================q-point: ( 0.11 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( 0.000 0.000 15.227) 15.227 0.655 ( -2.872 0.000 19.515) 19.726 1.071 ( -4.827 0.000 -9.211) 10.399 1.081 ( 5.648 0.000 -0.449) 5.666 1.121 ( 4.181 0.000 12.074) 12.778 1.156 ( 0.096 0.000 -1.920) 1.922 1.263 ( 1.264 0.000 -2.347) 2.665 1.429 ( -0.693 0.000 -0.343) 0.773 1.472 ( -0.552 0.000 -2.243) 2.310 1.544 ( 0.792 0.000 -2.619) 2.736 1.591 ( 0.586 0.000 1.024) 1.180 1.690 ( 0.489 0.000 0.350) 0.601 1.843 ( 4.927 0.000 1.272) 5.089 1.870 ( -0.876 0.000 -0.188) 0.896 1.934 ( 1.944 0.000 2.396) 3.086 2.015 ( 0.638 0.000 -4.441) 4.486 2.144 ( -1.043 0.000 4.159) 4.288 2.147 ( 6.722 0.000 3.597) 7.624 2.193 ( -2.400 0.000 -3.574) 4.305 2.226 ( -2.669 0.000 2.464) 3.632 2.414 ( -0.550 0.000 -2.691) 2.747 2.472 ( 1.978 0.000 -4.956) 5.336 2.487 ( -4.603 0.000 2.045) 5.037 2.500 ( -2.570 0.000 2.694) 3.723 2.675 ( -0.410 0.000 1.577) 1.629 2.682 ( 2.163 0.000 1.101) 2.428 2.704 ( 0.608 0.000 -2.059) 2.147 2.870 ( 0.129 0.000 -3.796) 3.798 2.946 ( -3.800 0.000 -4.777) 6.104 3.087 ( -1.690 0.000 5.316) 5.578 3.160 ( 2.827 0.000 -6.442) 7.035 3.196 ( -11.879 0.000 0.669) 11.898 3.250 ( -0.763 0.000 -1.883) 2.032 3.405 ( -2.131 0.000 -2.847) 3.556 3.555 ( 4.224 0.000 0.052) 4.225 3.592 ( 5.481 0.000 -1.965) 5.823 4.493 ( -1.709 0.000 4.008) 4.357 4.592 ( 0.970 0.000 -0.055) 0.971 4.940 ( -4.067 0.000 2.972) 5.037 5.040 ( -0.302 0.000 -0.103) 0.319 5.090 ( -0.448 0.000 0.447) 0.633 5.120 ( 0.101 0.000 -0.395) 0.408 5.651 ( -1.779 0.000 1.069) 2.075 5.689 ( -0.492 0.000 0.011) 0.493 6.205 ( 3.453 0.000 1.232) 3.666 6.275 ( -5.221 0.000 -2.186) 5.661 6.433 ( -1.080 0.000 -1.291) 1.683 6.520 ( 2.049 0.000 -0.875) 2.228 6.568 ( -4.047 0.000 -0.323) 4.060 6.713 ( 1.683 0.000 1.016) 1.966 6.889 ( -3.543 0.000 4.423) 5.667 7.066 ( -3.246 0.000 0.305) 3.261 7.323 ( 1.689 0.000 0.585) 1.788 7.423 ( -3.216 0.000 -5.656) 6.507 7.766 ( -4.585 0.000 3.786) 5.946 7.812 ( -6.451 0.000 -0.848) 6.506 8.349 ( -0.336 0.000 -0.101) 0.351 8.433 ( 0.328 0.000 3.479) 3.495 8.472 ( -4.457 0.000 1.651) 4.753 8.643 ( -1.644 0.000 -0.605) 1.752 8.716 ( -0.531 0.000 -5.682) 5.707 8.781 ( 6.434 0.000 0.518) 6.455 8.950 ( -5.207 0.000 -2.495) 5.774 8.956 ( 0.895 0.000 1.805) 2.015 9.097 ( -1.504 0.000 2.696) 3.087 9.182 ( -2.998 0.000 -2.865) 4.147 9.284 ( 0.612 0.000 2.600) 2.671 9.436 ( 2.421 0.000 -2.613) 3.563 9.464 ( 3.936 0.000 3.667) 5.380 9.517 ( 2.195 0.000 -4.911) 5.379 9.747 ( 0.915 0.000 0.921) 1.299 9.883 ( 5.719 0.000 -0.632) 5.754 9.912 ( -4.050 0.000 0.645) 4.101 9.979 ( -0.991 0.000 -1.924) 2.164 10.185 ( -2.243 0.000 1.047) 2.475 10.298 ( -1.343 0.000 -0.601) 1.472 10.403 ( 0.225 0.000 -0.880) 0.908 10.427 ( -1.338 0.000 -0.389) 1.393======================= Grid point 65 (23/92) =======================q-point: ( 0.22 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.679 ( 3.812 0.000 4.308) 5.753 0.765 ( -3.050 0.000 11.871) 12.257 0.953 ( 4.555 0.000 -3.716) 5.878 1.073 ( -0.635 0.000 -0.859) 1.068 1.194 ( 3.161 0.000 0.263) 3.172 1.246 ( 5.306 0.000 -5.464) 7.617 1.323 ( 5.317 0.000 5.296) 7.505 1.430 ( -0.978 0.000 -2.804) 2.970 1.457 ( -0.423 0.000 0.523) 0.673 1.538 ( 2.720 0.000 -3.573) 4.491 1.615 ( 0.424 0.000 0.248) 0.491 1.662 ( -3.227 0.000 -1.065) 3.399 1.818 ( -3.000 0.000 -1.168) 3.219 1.868 ( -1.301 0.000 -0.328) 1.342 2.017 ( 0.077 0.000 -2.474) 2.475 2.042 ( 6.245 0.000 2.567) 6.752 2.122 ( 3.812 0.000 -2.970) 4.833 2.171 ( 0.617 0.000 4.508) 4.550 2.242 ( -1.271 0.000 3.821) 4.027 2.319 ( -3.059 0.000 2.661) 4.055 2.369 ( -0.755 0.000 -0.037) 0.755 2.415 ( -2.292 0.000 -2.777) 3.601 2.487 ( 3.215 0.000 3.475) 4.734 2.516 ( 1.946 0.000 -1.104) 2.237 2.646 ( -5.679 0.000 3.897) 6.888 2.687 ( -1.766 0.000 -0.721) 1.908 2.732 ( 4.434 0.000 -2.478) 5.079 2.814 ( -1.621 0.000 -5.554) 5.785 2.863 ( 0.122 0.000 2.657) 2.659 3.046 ( -6.632 0.000 2.811) 7.204 3.126 ( -0.388 0.000 5.840) 5.853 3.127 ( 1.730 0.000 -7.557) 7.753 3.217 ( -1.960 0.000 -0.371) 1.995 3.279 ( -6.593 0.000 -5.570) 8.631 3.602 ( 1.662 0.000 -0.458) 1.724 3.705 ( 6.889 0.000 0.963) 6.956 4.498 ( -1.127 0.000 0.945) 1.470 4.607 ( 1.826 0.000 -1.508) 2.368 4.895 ( -4.176 0.000 1.583) 4.466 5.043 ( -0.791 0.000 0.294) 0.844 5.093 ( 2.477 0.000 -0.574) 2.542 5.118 ( 0.038 0.000 0.142) 0.147 5.642 ( -0.240 0.000 0.969) 0.998 5.679 ( -0.500 0.000 0.267) 0.567 6.196 ( -1.486 0.000 -0.934) 1.755 6.275 ( 1.859 0.000 1.000) 2.111 6.389 ( -2.687 0.000 -1.086) 2.898 6.497 ( -2.871 0.000 0.809) 2.983 6.515 ( -1.068 0.000 -0.755) 1.308 6.748 ( 0.971 0.000 0.836) 1.281 6.815 ( -8.747 0.000 1.866) 8.943 6.992 ( -5.032 0.000 -0.858) 5.105 7.315 ( -2.933 0.000 0.157) 2.937 7.330 ( -1.259 0.000 -3.154) 3.396 7.660 ( -9.079 0.000 -0.929) 9.126 7.713 ( -5.704 0.000 4.076) 7.010 8.360 ( 1.327 0.000 -0.096) 1.330 8.413 ( -3.478 0.000 1.302) 3.714 8.439 ( -4.445 0.000 1.756) 4.779 8.516 ( -8.908 0.000 -0.921) 8.956 8.706 ( 3.550 0.000 -2.538) 4.364 8.788 ( -7.192 0.000 -1.119) 7.278 8.921 ( 5.804 0.000 -1.365) 5.963 8.973 ( -0.856 0.000 1.418) 1.656 9.085 ( -4.042 0.000 -2.722) 4.873 9.106 ( -1.312 0.000 3.536) 3.772 9.327 ( 1.201 0.000 2.544) 2.813 9.437 ( 2.349 0.000 -3.437) 4.163 9.517 ( -1.145 0.000 2.690) 2.924 9.544 ( 4.760 0.000 -2.122) 5.211 9.784 ( 1.483 0.000 0.865) 1.716 9.841 ( -4.378 0.000 0.659) 4.427 9.871 ( -4.694 0.000 1.276) 4.865 9.991 ( 3.374 0.000 -2.806) 4.388 10.140 ( -3.967 0.000 1.281) 4.169 10.268 ( -1.351 0.000 -0.320) 1.388 10.389 ( -0.822 0.000 -0.386) 0.908 10.390 ( -1.890 0.000 -0.927) 2.105======================= Grid point 66 (24/92) =======================q-point: ( 0.33 0.00 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( -2.950 0.000 6.863) 7.470 0.833 ( 10.606 0.000 0.949) 10.649 1.041 ( -3.351 0.000 1.818) 3.813 1.113 ( 10.154 0.000 3.859) 10.863 1.247 ( 2.528 0.000 -0.012) 2.528 1.299 ( 4.721 0.000 -5.001) 6.877 1.397 ( -0.016 0.000 -0.693) 0.693 1.437 ( 2.229 0.000 -0.841) 2.382 1.498 ( 6.635 0.000 3.863) 7.677 1.551 ( -0.540 0.000 -1.620) 1.707 1.589 ( 0.158 0.000 -3.510) 3.514 1.609 ( 0.845 0.000 -0.384) 0.928 1.767 ( -1.624 0.000 -0.793) 1.807 1.832 ( -2.165 0.000 -0.531) 2.229 1.951 ( -2.362 0.000 -2.418) 3.380 2.110 ( -3.778 0.000 1.486) 4.060 2.202 ( -4.888 0.000 4.122) 6.394 2.229 ( 2.883 0.000 0.788) 2.988 2.266 ( 4.149 0.000 1.790) 4.519 2.280 ( 1.554 0.000 0.374) 1.598 2.344 ( 1.154 0.000 -0.877) 1.450 2.357 ( -1.383 0.000 -0.898) 1.649 2.466 ( -4.369 0.000 -2.394) 4.981 2.506 ( -2.693 0.000 -1.119) 2.917 2.624 ( 1.398 0.000 2.451) 2.821 2.675 ( -1.395 0.000 1.899) 2.357 2.723 ( -3.008 0.000 -3.133) 4.344 2.771 ( 1.240 0.000 -1.079) 1.643 2.923 ( -0.880 0.000 1.896) 2.090 3.030 ( -7.159 0.000 -5.671) 9.133 3.060 ( 1.897 0.000 3.794) 4.242 3.111 ( 0.164 0.000 -8.370) 8.372 3.180 ( -2.645 0.000 0.584) 2.709 3.225 ( 4.162 0.000 7.597) 8.662 3.617 ( 0.691 0.000 0.193) 0.717 3.824 ( 4.821 0.000 1.232) 4.976 4.477 ( -1.618 0.000 0.296) 1.644 4.631 ( 2.929 0.000 -1.762) 3.418 4.823 ( -4.291 0.000 -0.342) 4.305 5.007 ( -1.638 0.000 -1.733) 2.385 5.126 ( -0.870 0.000 2.276) 2.437 5.163 ( 4.149 0.000 0.143) 4.151 5.653 ( 1.180 0.000 -0.307) 1.220 5.685 ( 1.450 0.000 -0.412) 1.508 6.210 ( 3.516 0.000 0.432) 3.542 6.261 ( -2.906 0.000 -0.023) 2.906 6.341 ( -2.923 0.000 1.719) 3.391 6.476 ( -2.577 0.000 -0.752) 2.684 6.500 ( 1.382 0.000 0.796) 1.595 6.643 ( -10.542 0.000 -0.015) 10.542 6.755 ( -0.648 0.000 -0.724) 0.972 6.875 ( -6.141 0.000 -2.025) 6.466 7.240 ( -4.413 0.000 -0.825) 4.489 7.310 ( 1.069 0.000 -2.115) 2.370 7.503 ( -8.064 0.000 1.741) 8.250 7.660 ( -5.087 0.000 4.197) 6.595 8.286 ( -8.579 0.000 -1.054) 8.644 8.369 ( -1.087 0.000 0.864) 1.388 8.399 ( 1.456 0.000 -0.269) 1.481 8.419 ( -5.838 0.000 2.445) 6.329 8.646 ( -7.696 0.000 0.093) 7.697 8.749 ( 3.506 0.000 -2.036) 4.054 8.952 ( -1.586 0.000 -1.349) 2.082 8.975 ( 3.602 0.000 -4.557) 5.809 9.012 ( -1.782 0.000 -0.346) 1.815 9.130 ( -1.076 0.000 5.038) 5.152 9.378 ( 1.722 0.000 1.865) 2.539 9.459 ( 3.810 0.000 -2.952) 4.820 9.510 ( -1.681 0.000 1.756) 2.431 9.616 ( 5.753 0.000 -2.420) 6.242 9.769 ( -3.772 0.000 1.193) 3.956 9.803 ( -4.450 0.000 1.517) 4.701 9.810 ( -0.100 0.000 0.189) 0.214 9.989 ( -1.989 0.000 -0.753) 2.127 10.097 ( -1.017 0.000 0.276) 1.054 10.244 ( -1.290 0.000 0.142) 1.297 10.348 ( -1.388 0.000 -1.110) 1.777 10.372 ( -0.858 0.000 0.073) 0.861======================= Grid point 67 (25/92) =======================q-point: ( 0.44 0.00 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.820 ( -2.707 0.000 5.491) 6.122 0.979 ( 3.742 0.000 0.683) 3.804 0.994 ( -3.797 0.000 0.964) 3.918 1.245 ( 2.312 0.000 -2.930) 3.732 1.288 ( 0.387 0.000 -1.013) 1.084 1.338 ( 3.823 0.000 4.114) 5.616 1.390 ( -3.512 0.000 2.063) 4.073 1.500 ( 0.345 0.000 -1.721) 1.756 1.529 ( 5.927 0.000 -1.695) 6.164 1.596 ( 1.554 0.000 1.488) 2.152 1.599 ( 2.249 0.000 0.700) 2.356 1.654 ( 3.385 0.000 -0.595) 3.437 1.749 ( 0.505 0.000 -0.768) 0.919 1.839 ( 3.132 0.000 3.110) 4.414 1.913 ( 0.497 0.000 -1.416) 1.501 1.987 ( -8.536 0.000 0.306) 8.541 2.094 ( -6.934 0.000 -0.246) 6.938 2.226 ( -0.690 0.000 0.449) 0.823 2.323 ( 0.554 0.000 -0.326) 0.643 2.344 ( -0.178 0.000 -2.452) 2.458 2.357 ( 1.459 0.000 0.006) 1.459 2.405 ( 1.048 0.000 0.447) 1.140 2.414 ( 3.168 0.000 -0.411) 3.194 2.452 ( -2.034 0.000 3.639) 4.169 2.654 ( -3.425 0.000 1.321) 3.671 2.676 ( 0.944 0.000 0.219) 0.969 2.680 ( -5.869 0.000 -3.707) 6.942 2.736 ( 6.459 0.000 -1.744) 6.691 2.905 ( -0.952 0.000 1.578) 1.843 2.923 ( -0.636 0.000 1.791) 1.901 3.068 ( 2.227 0.000 -5.152) 5.612 3.079 ( -1.319 0.000 -0.366) 1.369 3.155 ( 0.559 0.000 -1.044) 1.184 3.317 ( -2.051 0.000 0.549) 2.124 3.645 ( 0.914 0.000 2.712) 2.862 3.885 ( 1.101 0.000 0.036) 1.101 4.467 ( -0.630 0.000 2.294) 2.379 4.668 ( 2.818 0.000 -1.499) 3.191 4.758 ( -1.980 0.000 -0.336) 2.008 4.962 ( -0.169 0.000 -3.470) 3.474 5.129 ( -2.090 0.000 3.093) 3.733 5.214 ( 1.402 0.000 0.261) 1.427 5.664 ( 0.776 0.000 -0.957) 1.232 5.715 ( 2.041 0.000 -1.273) 2.406 6.232 ( -1.082 0.000 2.226) 2.475 6.309 ( -2.945 0.000 1.731) 3.416 6.312 ( 6.377 0.000 0.606) 6.405 6.406 ( -4.275 0.000 -1.014) 4.394 6.494 ( -4.868 0.000 0.034) 4.868 6.538 ( 1.679 0.000 1.190) 2.057 6.705 ( -1.662 0.000 -3.923) 4.261 6.770 ( -3.000 0.000 -1.435) 3.325 7.173 ( -1.035 0.000 -1.745) 2.029 7.258 ( -1.785 0.000 -6.205) 6.456 7.479 ( -0.662 0.000 7.930) 7.957 7.627 ( -3.474 0.000 3.977) 5.281 8.186 ( -2.258 0.000 0.760) 2.382 8.347 ( -4.412 0.000 2.129) 4.899 8.364 ( 0.564 0.000 -0.716) 0.911 8.429 ( 1.457 0.000 0.956) 1.743 8.530 ( -5.269 0.000 -0.175) 5.272 8.777 ( 2.101 0.000 -2.182) 3.029 8.912 ( 0.043 0.000 -2.871) 2.871 8.972 ( 2.133 0.000 -4.888) 5.333 9.006 ( -0.119 0.000 1.706) 1.710 9.154 ( -1.635 0.000 3.430) 3.800 9.400 ( -0.670 0.000 -0.663) 0.942 9.500 ( 4.010 0.000 -2.806) 4.894 9.513 ( -0.804 0.000 3.027) 3.132 9.675 ( 2.101 0.000 -1.564) 2.619 9.729 ( -1.712 0.000 1.103) 2.037 9.764 ( 0.398 0.000 0.020) 0.398 9.806 ( -0.157 0.000 0.286) 0.326 9.915 ( -5.542 0.000 0.377) 5.555 10.113 ( 1.760 0.000 0.642) 1.873 10.221 ( -1.305 0.000 -0.140) 1.313 10.331 ( 0.496 0.000 -0.259) 0.559 10.359 ( -0.672 0.000 -0.014) 0.673======================= Grid point 68 (26/92) =======================q-point: (-0.44 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.843 ( -1.691 0.000 5.894) 6.132 0.930 ( -3.735 0.000 -0.312) 3.748 0.979 ( -4.812 0.000 1.191) 4.957 1.193 ( -4.534 0.000 -2.129) 5.009 1.293 ( -3.354 0.000 -1.294) 3.595 1.318 ( 2.323 0.000 0.819) 2.463 1.406 ( 0.010 0.000 1.688) 1.688 1.535 ( -2.573 0.000 -0.166) 2.579 1.539 ( 3.514 0.000 1.264) 3.735 1.613 ( -0.409 0.000 0.651) 0.768 1.665 ( 1.431 0.000 0.958) 1.722 1.704 ( -1.169 0.000 1.693) 2.057 1.761 ( 1.036 0.000 -0.124) 1.044 1.868 ( -2.717 0.000 -5.239) 5.901 1.911 ( 1.211 0.000 4.030) 4.208 1.938 ( 2.943 0.000 1.282) 3.210 2.053 ( 1.969 0.000 -0.615) 2.063 2.238 ( 0.151 0.000 1.911) 1.917 2.292 ( -1.886 0.000 -0.366) 1.921 2.342 ( -4.273 0.000 -1.643) 4.578 2.343 ( 0.521 0.000 -1.627) 1.708 2.352 ( 0.426 0.000 0.536) 0.685 2.455 ( -2.841 0.000 -0.317) 2.859 2.458 ( 1.872 0.000 0.109) 1.875 2.582 ( 1.464 0.000 -2.646) 3.024 2.619 ( -1.286 0.000 0.099) 1.290 2.740 ( 4.733 0.000 1.641) 5.009 2.807 ( 1.343 0.000 0.349) 1.388 2.943 ( 0.136 0.000 2.769) 2.772 2.999 ( 6.842 0.000 -0.042) 6.843 3.034 ( -1.857 0.000 -1.729) 2.538 3.104 ( 5.296 0.000 1.371) 5.471 3.147 ( -11.726 0.000 -6.464) 13.389 3.196 ( 5.488 0.000 -0.606) 5.521 3.691 ( -0.470 0.000 4.453) 4.478 3.861 ( -2.974 0.000 -1.310) 3.250 4.498 ( 0.145 0.000 3.033) 3.036 4.676 ( 0.046 0.000 -1.547) 1.547 4.764 ( 1.957 0.000 0.253) 1.973 4.931 ( 1.524 0.000 -4.476) 4.728 5.122 ( -1.821 0.000 2.782) 3.325 5.225 ( -0.719 0.000 0.648) 0.968 5.661 ( -0.197 0.000 -0.818) 0.842 5.703 ( -1.535 0.000 -1.662) 2.263 6.267 ( -0.448 0.000 2.598) 2.636 6.286 ( 1.339 0.000 1.661) 2.133 6.292 ( -6.259 0.000 0.082) 6.260 6.429 ( 4.825 0.000 -0.629) 4.866 6.491 ( 3.216 0.000 0.156) 3.220 6.580 ( 0.677 0.000 2.798) 2.878 6.677 ( 4.832 0.000 -5.142) 7.057 6.727 ( 0.240 0.000 -2.608) 2.619 7.175 ( 3.273 0.000 -1.761) 3.716 7.194 ( 2.199 0.000 -3.913) 4.488 7.579 ( 2.034 0.000 7.183) 7.465 7.624 ( -1.224 0.000 3.135) 3.366 8.219 ( 4.052 0.000 1.800) 4.434 8.328 ( 0.100 0.000 1.745) 1.748 8.374 ( 2.349 0.000 -2.177) 3.203 8.431 ( -4.919 0.000 2.891) 5.706 8.507 ( 4.919 0.000 -0.808) 4.985 8.778 ( 0.657 0.000 -2.132) 2.231 8.888 ( 0.673 0.000 -3.358) 3.425 8.950 ( 1.162 0.000 -5.125) 5.256 9.044 ( 1.674 0.000 3.237) 3.644 9.142 ( -2.378 0.000 1.336) 2.728 9.358 ( -2.391 0.000 -0.618) 2.469 9.517 ( -2.256 0.000 2.042) 3.043 9.529 ( 2.039 0.000 -2.355) 3.115 9.661 ( -0.992 0.000 -0.319) 1.042 9.737 ( 0.950 0.000 1.442) 1.727 9.811 ( -1.422 0.000 0.672) 1.573 9.821 ( 0.612 0.000 1.207) 1.353 9.832 ( 2.477 0.000 -2.498) 3.518 10.156 ( 1.119 0.000 2.018) 2.307 10.203 ( 0.280 0.000 -1.048) 1.085 10.350 ( 0.131 0.000 -0.563) 0.578 10.354 ( 1.583 0.000 0.526) 1.667======================= Grid point 69 (27/92) =======================q-point: (-0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.801 ( -11.988 0.000 6.827) 13.796 0.829 ( -14.482 0.000 2.824) 14.755 0.915 ( 3.508 0.000 -1.432) 3.789 1.136 ( -0.991 0.000 3.494) 3.632 1.232 ( -1.396 0.000 -2.715) 3.053 1.327 ( -2.967 0.000 -0.086) 2.968 1.430 ( 1.982 0.000 -0.137) 1.986 1.493 ( -4.094 0.000 3.299) 5.258 1.582 ( -3.429 0.000 -0.603) 3.482 1.615 ( 1.235 0.000 0.207) 1.252 1.646 ( -0.062 0.000 -0.818) 0.820 1.655 ( -5.869 0.000 2.486) 6.374 1.787 ( 1.719 0.000 -6.304) 6.535 1.795 ( 2.497 0.000 0.647) 2.579 1.958 ( -4.336 0.000 -7.636) 8.782 2.020 ( 2.585 0.000 2.451) 3.563 2.040 ( 4.794 0.000 2.670) 5.488 2.200 ( -4.531 0.000 -0.447) 4.553 2.257 ( -1.938 0.000 -0.221) 1.951 2.278 ( -1.811 0.000 3.621) 4.048 2.385 ( -3.165 0.000 -0.239) 3.174 2.400 ( 1.594 0.000 0.553) 1.687 2.427 ( 3.432 0.000 -4.534) 5.687 2.483 ( 5.660 0.000 1.273) 5.802 2.592 ( -0.070 0.000 1.603) 1.605 2.619 ( 2.281 0.000 -0.816) 2.422 2.803 ( -4.928 0.000 -1.367) 5.114 2.821 ( 0.178 0.000 -0.120) 0.214 2.902 ( 2.328 0.000 -2.785) 3.630 2.984 ( -0.677 0.000 2.645) 2.730 3.025 ( 1.436 0.000 0.390) 1.488 3.084 ( 5.033 0.000 -1.977) 5.407 3.239 ( 8.469 0.000 -1.868) 8.673 3.321 ( 4.580 0.000 4.447) 6.384 3.709 ( -2.834 0.000 4.318) 5.165 3.769 ( -4.798 0.000 -1.897) 5.159 4.509 ( -1.988 0.000 1.420) 2.443 4.646 ( -1.471 0.000 -2.130) 2.588 4.806 ( 2.167 0.000 0.724) 2.285 4.926 ( 3.374 0.000 -4.281) 5.451 5.129 ( -0.436 0.000 1.865) 1.916 5.196 ( -3.708 0.000 1.134) 3.878 5.635 ( -1.746 0.000 -0.522) 1.823 5.658 ( -0.982 0.000 -1.132) 1.499 6.217 ( -2.055 0.000 1.059) 2.312 6.247 ( -0.929 0.000 -1.496) 1.761 6.399 ( 5.502 0.000 4.292) 6.978 6.482 ( 2.965 0.000 -1.256) 3.220 6.530 ( -0.682 0.000 1.524) 1.670 6.653 ( 4.898 0.000 2.111) 5.333 6.688 ( 0.778 0.000 -3.754) 3.834 6.776 ( 9.109 0.000 -4.338) 10.089 7.233 ( 4.676 0.000 -1.706) 4.978 7.266 ( 8.024 0.000 -0.723) 8.057 7.648 ( 0.811 0.000 1.840) 2.010 7.687 ( 2.670 0.000 5.530) 6.141 8.314 ( 3.761 0.000 -0.691) 3.824 8.373 ( -1.702 0.000 -0.230) 1.717 8.405 ( 6.760 0.000 2.449) 7.190 8.412 ( 1.358 0.000 1.402) 1.952 8.628 ( 8.575 0.000 0.232) 8.578 8.762 ( -0.208 0.000 -0.821) 0.847 8.866 ( 1.302 0.000 -3.815) 4.031 8.897 ( -1.218 0.000 -4.898) 5.047 9.115 ( -0.955 0.000 -0.139) 0.965 9.125 ( 2.922 0.000 3.739) 4.745 9.315 ( -2.696 0.000 0.823) 2.819 9.485 ( -2.353 0.000 0.436) 2.393 9.520 ( -0.582 0.000 -1.537) 1.644 9.630 ( -2.404 0.000 -0.798) 2.533 9.784 ( 1.312 0.000 0.618) 1.450 9.784 ( 2.124 0.000 1.861) 2.825 9.833 ( -1.143 0.000 1.498) 1.884 9.907 ( 5.778 0.000 -2.803) 6.422 10.182 ( -0.899 0.000 2.440) 2.600 10.215 ( 2.448 0.000 -1.422) 2.831 10.360 ( 1.902 0.000 -0.771) 2.052 10.387 ( 1.513 0.000 0.311) 1.545======================= Grid point 70 (28/92) =======================q-point: (-0.22 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( -19.038 0.000 4.720) 19.614 0.600 ( -17.463 0.000 4.666) 18.075 0.948 ( -1.871 0.000 -0.589) 1.962 1.181 ( -0.386 0.000 -2.761) 2.787 1.211 ( -10.656 0.000 -4.592) 11.603 1.234 ( 3.743 0.000 6.818) 7.778 1.339 ( -11.275 0.000 5.905) 12.728 1.464 ( 2.729 0.000 -1.722) 3.227 1.541 ( -0.795 0.000 -2.874) 2.982 1.577 ( -1.049 0.000 -1.311) 1.679 1.596 ( -1.321 0.000 1.122) 1.734 1.675 ( 0.939 0.000 -1.083) 1.433 1.775 ( -1.436 0.000 -3.965) 4.217 1.811 ( 2.107 0.000 -5.879) 6.245 1.843 ( 1.742 0.000 0.295) 1.767 2.066 ( 0.890 0.000 0.779) 1.183 2.125 ( 0.590 0.000 -0.289) 0.657 2.137 ( -2.464 0.000 1.189) 2.736 2.174 ( -6.875 0.000 1.604) 7.059 2.328 ( 1.806 0.000 5.266) 5.567 2.356 ( 4.415 0.000 0.054) 4.416 2.407 ( 0.627 0.000 -1.984) 2.080 2.462 ( 4.308 0.000 -3.578) 5.600 2.552 ( -1.042 0.000 0.872) 1.359 2.621 ( 0.268 0.000 3.653) 3.663 2.646 ( -1.653 0.000 0.545) 1.740 2.794 ( 8.226 0.000 -1.368) 8.339 2.808 ( -1.030 0.000 -0.909) 1.374 2.982 ( 1.352 0.000 0.210) 1.368 3.016 ( 7.306 0.000 -0.384) 7.316 3.087 ( 1.411 0.000 4.417) 4.637 3.141 ( 3.088 0.000 -1.199) 3.312 3.336 ( 5.430 0.000 -4.120) 6.817 3.403 ( 1.644 0.000 1.389) 2.152 3.679 ( -5.194 0.000 3.074) 6.035 3.679 ( -3.195 0.000 -1.408) 3.491 4.464 ( -3.532 0.000 0.458) 3.561 4.585 ( -1.856 0.000 -2.547) 3.151 4.857 ( 1.800 0.000 2.220) 2.858 4.961 ( 4.512 0.000 -2.650) 5.233 5.126 ( -1.074 0.000 -0.156) 1.085 5.130 ( -4.429 0.000 0.945) 4.528 5.619 ( 0.416 0.000 0.737) 0.846 5.653 ( 1.259 0.000 -0.594) 1.392 6.208 ( -1.343 0.000 -1.775) 2.226 6.236 ( 2.062 0.000 1.139) 2.356 6.514 ( 1.120 0.000 0.492) 1.223 6.515 ( 2.289 0.000 -1.629) 2.810 6.553 ( 2.009 0.000 6.330) 6.641 6.656 ( 0.206 0.000 -3.378) 3.385 6.753 ( 4.055 0.000 0.877) 4.149 6.899 ( 8.763 0.000 -2.643) 9.153 7.283 ( 2.926 0.000 -2.034) 3.564 7.418 ( 8.364 0.000 0.176) 8.366 7.686 ( 1.679 0.000 1.127) 2.022 7.791 ( 3.522 0.000 3.724) 5.126 8.339 ( 1.052 0.000 -1.508) 1.839 8.360 ( -0.568 0.000 1.872) 1.956 8.461 ( 1.737 0.000 2.152) 2.766 8.548 ( 6.544 0.000 -0.451) 6.560 8.742 ( 2.181 0.000 -5.479) 5.897 8.776 ( 2.157 0.000 0.736) 2.279 8.858 ( 1.796 0.000 -3.042) 3.533 8.864 ( 4.116 0.000 2.041) 4.595 9.107 ( 0.088 0.000 -0.674) 0.680 9.213 ( 2.901 0.000 2.704) 3.966 9.275 ( -3.188 0.000 1.067) 3.362 9.448 ( -2.143 0.000 -0.297) 2.164 9.478 ( -1.802 0.000 -2.341) 2.954 9.601 ( 0.344 0.000 1.022) 1.078 9.794 ( -3.650 0.000 1.751) 4.048 9.836 ( 2.602 0.000 -0.391) 2.631 9.860 ( 3.130 0.000 1.271) 3.378 9.957 ( 3.503 0.000 -2.873) 4.530 10.188 ( -0.662 0.000 2.191) 2.289 10.248 ( 2.562 0.000 -1.290) 2.868 10.395 ( 2.620 0.000 -0.424) 2.654 10.411 ( 1.250 0.000 -0.291) 1.283======================= Grid point 71 (29/92) =======================q-point: (-0.11 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.287 ( -17.398 0.000 -1.313) 17.447 0.346 ( -13.157 0.000 13.109) 18.573 0.708 ( -25.400 0.000 19.869) 32.249 1.119 ( 2.033 0.000 -1.410) 2.474 1.146 ( -0.256 0.000 -2.245) 2.260 1.316 ( -1.454 0.000 4.370) 4.606 1.355 ( 1.702 0.000 2.893) 3.357 1.487 ( 0.752 0.000 -4.343) 4.407 1.488 ( 2.063 0.000 -1.809) 2.744 1.561 ( 0.252 0.000 -1.302) 1.326 1.580 ( -0.242 0.000 -4.130) 4.138 1.665 ( 0.873 0.000 -2.056) 2.234 1.732 ( 1.404 0.000 -0.125) 1.409 1.845 ( 3.134 0.000 -1.178) 3.348 1.851 ( -0.633 0.000 0.104) 0.642 2.025 ( -4.562 0.000 -1.055) 4.683 2.063 ( 1.651 0.000 -2.823) 3.270 2.159 ( -0.359 0.000 4.296) 4.311 2.179 ( -0.719 0.000 3.201) 3.281 2.361 ( -0.841 0.000 -1.919) 2.095 2.430 ( 1.730 0.000 1.987) 2.634 2.453 ( 4.243 0.000 -0.666) 4.294 2.504 ( 3.775 0.000 -1.652) 4.120 2.518 ( -1.709 0.000 1.169) 2.071 2.617 ( -1.298 0.000 -0.838) 1.545 2.665 ( -0.302 0.000 3.941) 3.953 2.767 ( -2.004 0.000 -1.692) 2.623 2.884 ( 3.772 0.000 -2.781) 4.687 2.998 ( 0.236 0.000 1.403) 1.422 3.115 ( 0.181 0.000 0.982) 0.999 3.162 ( 0.910 0.000 -0.947) 1.313 3.222 ( 11.011 0.000 2.488) 11.289 3.345 ( 2.088 0.000 -5.572) 5.951 3.427 ( 1.661 0.000 -2.813) 3.267 3.585 ( -7.958 0.000 0.856) 8.004 3.616 ( -1.936 0.000 -2.205) 2.934 4.420 ( -2.485 0.000 2.094) 3.249 4.556 ( 0.342 0.000 -0.052) 0.346 4.916 ( 1.885 0.000 3.073) 3.605 5.017 ( 3.642 0.000 -0.869) 3.744 5.082 ( -1.762 0.000 0.511) 1.835 5.108 ( 0.198 0.000 -0.841) 0.864 5.649 ( 1.247 0.000 0.908) 1.543 5.680 ( 2.046 0.000 -0.221) 2.058 6.172 ( -1.245 0.000 -0.335) 1.289 6.304 ( 5.723 0.000 -0.236) 5.728 6.503 ( -1.649 0.000 -2.702) 3.166 6.511 ( -1.700 0.000 0.934) 1.939 6.641 ( 0.761 0.000 3.181) 3.271 6.646 ( 1.987 0.000 -1.692) 2.610 6.821 ( 2.174 0.000 2.743) 3.501 7.022 ( 6.901 0.000 -0.691) 6.936 7.286 ( -0.577 0.000 -1.489) 1.597 7.527 ( 4.203 0.000 -1.916) 4.619 7.731 ( 2.053 0.000 1.519) 2.554 7.875 ( 2.124 0.000 1.843) 2.813 8.341 ( 1.117 0.000 -0.603) 1.270 8.380 ( -0.814 0.000 2.848) 2.962 8.506 ( 0.375 0.000 2.454) 2.482 8.618 ( 3.506 0.000 -1.964) 4.018 8.666 ( -0.883 0.000 -4.292) 4.382 8.827 ( 0.793 0.000 0.118) 0.802 8.857 ( 2.068 0.000 -1.864) 2.785 9.004 ( 5.949 0.000 2.284) 6.372 9.089 ( -1.388 0.000 -0.682) 1.547 9.233 ( -1.618 0.000 0.317) 1.649 9.266 ( 1.018 0.000 0.270) 1.053 9.394 ( -3.967 0.000 0.049) 3.967 9.429 ( -0.576 0.000 -2.072) 2.150 9.675 ( 5.853 0.000 1.511) 6.045 9.747 ( -2.854 0.000 1.564) 3.255 9.808 ( -3.665 0.000 -3.131) 4.820 9.927 ( 2.636 0.000 1.062) 2.842 9.996 ( 3.459 0.000 -1.661) 3.837 10.204 ( -0.307 0.000 1.935) 1.960 10.276 ( 2.740 0.000 -1.503) 3.125 10.427 ( 1.172 0.000 -0.647) 1.339 10.439 ( 2.725 0.000 -0.064) 2.725======================= Grid point 72 (30/92) =======================q-point: ( 0.00 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.512 ( 4.476 10.482 13.368) 17.568 0.565 ( 1.547 13.495 13.424) 19.097 1.071 ( -6.482 18.652 8.157) 21.365 1.113 ( 1.396 8.950 4.391) 10.066 1.171 ( 0.526 3.979 0.539) 4.049 1.245 ( -1.830 -2.310 -2.333) 3.759 1.361 ( -5.038 2.883 -1.041) 5.898 1.436 ( 2.133 -3.183 2.131) 4.384 1.519 ( 1.039 1.816 -4.331) 4.809 1.549 ( -1.217 -1.207 -1.090) 2.031 1.602 ( 1.188 3.699 -3.090) 4.964 1.669 ( 0.576 0.122 -0.897) 1.073 1.783 ( 1.135 1.016 0.363) 1.566 1.857 ( 1.647 0.582 2.541) 3.083 1.963 ( 2.272 5.894 0.708) 6.356 2.001 ( 3.361 1.260 -0.722) 3.662 2.072 ( -0.225 -0.185 -2.616) 2.632 2.164 ( 0.052 1.798 1.603) 2.409 2.222 ( -2.034 1.174 1.138) 2.610 2.352 ( -1.435 4.582 -1.344) 4.986 2.435 ( 0.226 -1.961 0.369) 2.008 2.451 ( 1.096 1.520 -2.452) 3.086 2.541 ( -0.517 1.686 0.913) 1.986 2.584 ( -0.478 2.112 0.384) 2.199 2.623 ( 1.071 1.705 -0.157) 2.020 2.671 ( 0.249 -0.977 -1.335) 1.673 2.750 ( -1.121 3.747 2.116) 4.447 2.900 ( 0.883 0.502 -2.324) 2.536 2.968 ( 0.233 -4.292 -2.621) 5.034 3.040 ( -2.363 -4.219 -0.260) 4.843 3.142 ( 1.517 -2.909 0.772) 3.371 3.293 ( -2.502 -1.957 -3.752) 4.916 3.346 ( -0.683 -1.895 1.877) 2.753 3.469 ( 7.054 0.864 -3.815) 8.066 3.483 ( -3.435 3.992 -3.431) 6.285 3.544 ( 1.742 -2.511 -2.223) 3.779 4.416 ( 2.802 -3.617 3.886) 6.003 4.563 ( 0.469 -1.928 1.272) 2.357 4.962 ( -1.161 -0.092 2.997) 3.216 5.040 ( 1.423 -0.416 0.555) 1.584 5.083 ( -0.141 2.155 0.058) 2.160 5.160 ( 0.297 2.304 -1.182) 2.607 5.648 ( 3.419 -1.798 -0.198) 3.868 5.696 ( -1.202 -1.095 -0.271) 1.649 6.167 ( 0.448 -0.017 0.767) 0.889 6.351 ( -4.171 -4.428 -3.073) 6.815 6.476 ( -1.725 1.665 -0.431) 2.436 6.490 ( 4.545 1.555 -2.578) 5.452 6.602 ( -3.274 -1.954 1.878) 4.250 6.650 ( 4.168 -2.813 -0.333) 5.039 6.891 ( -3.457 -0.395 5.293) 6.334 7.088 ( 0.428 -2.422 -0.856) 2.604 7.303 ( 2.399 3.277 -0.517) 4.094 7.494 ( -1.741 1.417 -3.874) 4.478 7.787 ( -0.729 0.739 2.228) 2.458 7.896 ( -1.207 0.620 -0.044) 1.357 8.371 ( 0.641 2.068 0.599) 2.246 8.434 ( 1.824 3.170 -0.277) 3.668 8.526 ( -1.922 0.987 2.408) 3.235 8.646 ( 2.304 1.510 -0.070) 2.756 8.706 ( -1.229 1.990 -1.062) 2.569 8.799 ( -1.077 4.108 -2.705) 5.035 8.898 ( 1.535 -0.618 1.644) 2.332 9.047 ( -0.872 0.619 -2.213) 2.458 9.124 ( -0.434 2.095 1.924) 2.877 9.184 ( -0.823 -3.367 -0.563) 3.512 9.219 ( 4.080 -3.543 1.401) 5.583 9.368 ( -5.401 -0.033 -0.145) 5.403 9.462 ( 0.610 2.936 -0.413) 3.027 9.556 ( -17.903 -0.357 -1.564) 17.974 9.720 ( -0.609 -1.519 1.482) 2.208 9.773 ( 0.576 -1.079 0.867) 1.499 9.967 ( -0.590 0.888 0.060) 1.068 9.993 ( -0.619 -1.938 -0.931) 2.237 10.142 ( -2.020 -5.068 1.493) 5.656 10.255 ( -0.219 -4.504 -1.023) 4.624 10.457 ( -1.305 1.201 -0.042) 1.774 10.477 ( -1.018 1.880 0.064) 2.139======================= Grid point 73 (31/92) =======================q-point: ( 0.11 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( -0.044 9.793 9.219) 13.450 0.843 ( 3.097 12.524 13.984) 19.026 1.013 ( 0.702 -1.372 -4.366) 4.630 1.093 ( -3.752 3.036 -6.458) 8.062 1.164 ( -2.069 2.889 1.367) 3.808 1.254 ( -0.028 0.899 -0.236) 0.930 1.333 ( 3.316 11.734 6.099) 13.634 1.469 ( -0.698 -0.096 1.470) 1.630 1.500 ( 2.063 4.018 -2.951) 5.395 1.543 ( 1.964 1.484 0.756) 2.575 1.611 ( 0.294 2.069 -0.617) 2.179 1.678 ( 0.442 -0.842 0.624) 1.137 1.818 ( 4.299 -1.315 -0.190) 4.499 1.900 ( -1.407 2.520 2.233) 3.648 1.954 ( -3.033 1.531 -1.587) 3.750 2.054 ( 4.353 1.848 -2.228) 5.227 2.117 ( 2.444 1.020 2.962) 3.973 2.165 ( 0.267 1.024 2.205) 2.446 2.194 ( -1.239 0.358 -1.311) 1.839 2.306 ( -1.218 6.879 1.220) 7.092 2.419 ( -1.956 -0.541 -0.496) 2.089 2.455 ( 2.322 1.132 -3.885) 4.666 2.526 ( -2.084 2.690 1.542) 3.736 2.543 ( -3.018 3.939 0.926) 5.048 2.649 ( 1.710 -1.544 -0.831) 2.449 2.685 ( 1.101 0.785 1.495) 2.016 2.753 ( -0.435 3.913 0.745) 4.007 2.879 ( -0.515 0.334 -2.487) 2.562 2.897 ( -2.955 -4.036 -5.451) 7.398 3.037 ( 0.475 -4.211 1.879) 4.636 3.141 ( -4.867 -2.692 -0.695) 5.605 3.196 ( -2.941 -0.687 0.449) 3.053 3.292 ( -2.782 2.466 -2.120) 4.280 3.377 ( -4.300 -0.334 -2.739) 5.109 3.542 ( 5.887 -1.728 -2.592) 6.661 3.589 ( 3.707 -0.267 -0.579) 3.762 4.469 ( -0.235 -2.356 4.026) 4.670 4.570 ( 0.518 -2.444 -0.467) 2.542 4.939 ( -4.218 0.064 2.787) 5.057 5.053 ( 0.889 1.046 0.804) 1.591 5.084 ( -0.525 -0.091 0.550) 0.766 5.129 ( -1.248 0.654 -1.226) 1.868 5.633 ( -1.950 -1.862 1.742) 3.210 5.667 ( -1.615 -2.549 -0.473) 3.054 6.180 ( -1.285 -2.479 1.012) 2.970 6.255 ( -0.447 -2.018 -2.808) 3.486 6.444 ( -0.581 1.397 -3.050) 3.405 6.508 ( -0.578 -0.480 -0.884) 1.161 6.568 ( -2.668 -1.801 0.467) 3.253 6.719 ( 3.372 1.078 1.625) 3.895 6.883 ( -2.981 -0.435 4.337) 5.281 7.049 ( -3.116 -2.690 -1.173) 4.280 7.316 ( -0.607 0.261 0.718) 0.976 7.449 ( -2.567 2.948 -3.846) 5.484 7.758 ( -4.543 -0.451 2.674) 5.291 7.824 ( -6.618 0.871 -0.268) 6.681 8.366 ( 0.309 2.254 -0.187) 2.283 8.473 ( -0.569 2.958 2.827) 4.131 8.492 ( -3.333 1.986 2.091) 4.408 8.661 ( -1.159 2.017 -0.408) 2.362 8.685 ( 0.064 -1.251 -3.722) 3.927 8.827 ( 2.535 2.985 -0.879) 4.014 8.943 ( 0.652 -0.931 1.342) 1.758 8.969 ( -4.683 1.903 -2.519) 5.648 9.133 ( 0.025 2.831 1.811) 3.361 9.163 ( -1.612 -1.939 -0.633) 2.600 9.255 ( 0.345 -1.848 1.170) 2.214 9.388 ( 3.118 -3.037 -0.408) 4.372 9.483 ( 0.880 0.584 1.166) 1.573 9.553 ( 2.588 2.325 -3.607) 5.011 9.735 ( 1.271 -1.283 0.853) 1.997 9.853 ( 5.165 -1.365 -0.811) 5.403 9.942 ( -0.781 0.935 -0.536) 1.331 9.962 ( -1.947 -1.660 -0.767) 2.671 10.117 ( -2.684 -5.048 0.808) 5.774 10.251 ( 0.189 -4.173 -0.671) 4.230 10.419 ( -1.938 1.778 -0.619) 2.702 10.467 ( -1.107 2.327 -0.056) 2.577======================= Grid point 74 (32/92) =======================q-point: ( 0.22 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( 2.784 6.722 2.757) 7.781 0.894 ( -0.166 7.868 1.973) 8.113 1.008 ( 2.014 6.316 -1.022) 6.707 1.101 ( 6.092 -0.040 -1.444) 6.261 1.139 ( -2.355 3.172 2.044) 4.448 1.277 ( 1.773 -1.033 2.038) 2.892 1.417 ( 3.427 4.595 -0.214) 5.736 1.474 ( -0.382 2.326 1.593) 2.845 1.508 ( 2.196 5.918 -2.719) 6.873 1.563 ( 0.502 4.550 -2.084) 5.029 1.636 ( 0.820 1.755 0.691) 2.056 1.672 ( -1.204 1.851 0.232) 2.220 1.829 ( -3.614 0.604 -1.881) 4.119 1.905 ( 0.267 2.898 -1.096) 3.110 1.942 ( 4.454 -2.565 2.483) 5.708 2.061 ( -1.330 0.112 -2.158) 2.537 2.155 ( 4.211 1.417 -0.825) 4.519 2.173 ( 0.816 -0.523 1.199) 1.542 2.223 ( -0.636 0.184 3.959) 4.014 2.350 ( -2.396 1.737 1.218) 3.200 2.394 ( 0.039 2.195 1.836) 2.862 2.424 ( -1.450 1.378 -2.902) 3.525 2.511 ( -1.806 2.705 1.097) 3.432 2.543 ( 1.848 2.701 0.482) 3.308 2.643 ( -1.019 -0.199 -1.189) 1.579 2.720 ( -1.927 3.561 1.496) 4.316 2.745 ( 0.834 2.020 -0.309) 2.208 2.806 ( -1.505 -2.595 -1.061) 3.182 2.856 ( 2.093 0.838 -0.984) 2.459 3.012 ( -5.230 -3.483 0.620) 6.314 3.081 ( 0.199 -2.453 1.770) 3.031 3.191 ( 0.628 2.563 0.880) 2.782 3.221 ( -4.405 -0.728 -0.826) 4.540 3.257 ( -4.120 1.030 -5.102) 6.638 3.584 ( 1.789 -1.875 -2.147) 3.366 3.681 ( 5.853 -2.324 1.259) 6.422 4.495 ( -0.373 -0.490 1.001) 1.175 4.576 ( 1.567 -3.126 -1.554) 3.826 4.891 ( -3.654 0.059 1.212) 3.850 5.049 ( -2.501 -0.308 -0.796) 2.643 5.088 ( 2.839 1.170 0.740) 3.159 5.149 ( 2.159 1.767 1.342) 3.096 5.625 ( -0.528 -1.980 0.524) 2.115 5.636 ( -1.009 -4.364 0.119) 4.481 6.135 ( -2.185 -3.974 -0.134) 4.537 6.279 ( 1.670 -2.862 0.938) 3.444 6.374 ( -3.059 1.492 -3.470) 4.860 6.484 ( -1.158 0.960 0.104) 1.508 6.533 ( -1.598 -2.727 0.516) 3.202 6.773 ( 1.223 2.687 -0.510) 2.996 6.819 ( -8.092 0.129 2.547) 8.484 6.967 ( -4.628 -2.535 -1.028) 5.376 7.279 ( -3.946 -1.932 -0.015) 4.393 7.366 ( -3.669 2.379 -1.283) 4.557 7.669 ( -8.162 1.013 -1.243) 8.318 7.714 ( -5.145 0.327 3.806) 6.408 8.379 ( 0.406 1.841 0.380) 1.923 8.424 ( -3.369 1.494 0.232) 3.693 8.480 ( -4.733 3.245 1.577) 5.952 8.555 ( -6.777 4.226 0.219) 7.990 8.691 ( 3.649 -1.296 -2.814) 4.787 8.797 ( -6.866 1.155 -1.627) 7.150 8.903 ( 0.797 -1.398 0.855) 1.822 8.968 ( 0.948 0.024 -0.429) 1.041 9.109 ( -2.485 2.323 -1.624) 3.769 9.150 ( -0.657 3.174 2.109) 3.867 9.284 ( 1.413 -3.291 1.584) 3.917 9.408 ( 0.832 -2.471 -0.800) 2.727 9.503 ( -0.388 -1.694 1.590) 2.355 9.569 ( 2.962 1.538 -2.110) 3.949 9.771 ( 0.884 -1.088 1.022) 1.734 9.855 ( -2.175 1.968 0.249) 2.944 9.902 ( -4.067 1.765 1.032) 4.552 9.968 ( 3.432 -2.463 -2.725) 5.027 10.072 ( -3.265 -5.176 1.381) 6.274 10.238 ( -0.801 -3.687 -0.642) 3.828 10.373 ( -2.270 0.937 -0.603) 2.529 10.436 ( -2.078 1.909 -0.174) 2.828======================= Grid point 75 (33/92) =======================q-point: ( 0.33 0.14 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.793 ( 3.053 4.048 1.663) 5.336 0.963 ( 2.556 7.543 3.746) 8.802 1.075 ( 4.403 2.685 -0.297) 5.166 1.161 ( 4.450 -2.663 -2.950) 5.966 1.169 ( 4.243 5.069 3.861) 7.655 1.336 ( 0.629 0.787 2.260) 2.474 1.387 ( -1.727 0.413 -1.738) 2.485 1.516 ( 0.538 0.889 -2.121) 2.362 1.543 ( 4.179 5.182 1.060) 6.741 1.585 ( 2.836 5.525 -0.182) 6.213 1.630 ( 0.206 4.096 0.038) 4.101 1.657 ( 0.251 4.930 -0.788) 4.999 1.773 ( -1.055 0.915 -1.101) 1.778 1.859 ( -1.793 2.581 -2.091) 3.775 1.970 ( -2.405 1.427 -1.066) 2.992 2.101 ( 4.411 -1.558 0.533) 4.709 2.163 ( -4.350 -0.408 3.487) 5.590 2.208 ( 0.596 -2.032 1.607) 2.658 2.288 ( 3.711 0.290 1.684) 4.086 2.318 ( -0.734 1.973 -0.429) 2.149 2.364 ( -2.931 2.766 -0.812) 4.111 2.380 ( -0.645 2.616 0.040) 2.695 2.477 ( -1.294 1.131 -1.901) 2.562 2.513 ( -3.947 1.377 -0.553) 4.217 2.626 ( 1.516 0.487 -0.565) 1.690 2.683 ( -2.996 -0.340 0.682) 3.091 2.738 ( -1.878 1.994 -0.665) 2.818 2.789 ( 0.919 1.222 -1.140) 1.907 2.918 ( -0.690 -0.301 1.802) 1.953 2.963 ( -2.434 -4.048 -2.239) 5.227 3.087 ( -1.826 -0.307 2.562) 3.161 3.122 ( 1.123 0.592 -5.137) 5.292 3.167 ( -3.302 0.462 -0.911) 3.457 3.268 ( 3.989 4.305 5.217) 7.852 3.583 ( 0.448 -3.297 -0.950) 3.460 3.786 ( 4.210 -3.713 1.105) 5.721 4.484 ( -0.951 0.622 0.055) 1.138 4.594 ( 2.176 -3.720 -1.431) 4.541 4.830 ( -3.281 1.524 -0.723) 3.689 5.012 ( -1.348 0.561 0.086) 1.462 5.159 ( 3.283 0.580 1.111) 3.514 5.189 ( 0.537 3.889 0.784) 4.003 5.626 ( 1.768 -3.889 -0.964) 4.380 5.643 ( 1.054 -3.022 0.159) 3.204 6.126 ( 0.762 -5.264 1.010) 5.414 6.268 ( -4.229 -4.403 1.213) 6.225 6.321 ( 0.665 2.442 -1.582) 2.985 6.467 ( -0.882 0.491 -0.383) 1.080 6.531 ( 0.418 -2.295 1.004) 2.539 6.652 ( -9.053 1.412 -0.841) 9.201 6.767 ( -2.640 1.121 -1.074) 3.063 6.869 ( -5.622 -0.400 -0.415) 5.652 7.191 ( -4.995 -3.880 -0.727) 6.366 7.300 ( -3.278 -1.377 0.530) 3.595 7.517 ( -7.167 1.702 -0.413) 7.377 7.684 ( -2.988 2.180 3.599) 5.161 8.307 ( -6.794 2.062 -1.046) 7.177 8.381 ( -2.117 1.334 0.401) 2.534 8.438 ( 1.037 3.478 0.091) 3.630 8.476 ( -5.794 5.380 2.936) 8.434 8.654 ( -6.938 1.516 -0.676) 7.133 8.733 ( 3.546 -1.560 -2.392) 4.553 8.912 ( -0.218 -2.417 -0.809) 2.558 8.976 ( 0.660 -0.565 -0.082) 0.872 9.058 ( -0.536 4.101 -3.282) 5.280 9.158 ( -1.247 2.322 3.121) 4.085 9.329 ( 1.501 -4.172 1.775) 4.776 9.417 ( 1.362 -3.261 -1.134) 3.711 9.505 ( -0.460 -1.466 0.746) 1.708 9.610 ( 3.620 -0.956 -1.725) 4.123 9.776 ( -0.838 0.243 0.812) 1.192 9.815 ( -2.921 2.552 -0.097) 3.881 9.854 ( -2.151 2.656 1.280) 3.649 9.976 ( -0.706 -1.284 -1.084) 1.823 10.047 ( -0.466 -4.329 0.935) 4.453 10.212 ( -1.307 -3.425 -0.577) 3.711 10.333 ( -1.260 -0.153 -0.611) 1.409 10.397 ( -2.137 1.293 0.110) 2.500======================= Grid point 76 (34/92) =======================q-point: ( 0.44 0.14 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.833 ( 0.158 3.525 1.764) 3.945 0.998 ( -2.838 3.991 4.321) 6.531 1.108 ( 0.801 5.437 -1.669) 5.744 1.211 ( 4.204 -1.764 -3.490) 5.742 1.295 ( -0.569 0.791 0.187) 0.992 1.339 ( 4.224 1.045 3.837) 5.802 1.406 ( -3.092 2.380 1.154) 4.069 1.499 ( 2.967 0.826 -1.215) 3.311 1.571 ( -0.243 1.913 0.764) 2.074 1.630 ( -1.301 4.107 -0.428) 4.329 1.653 ( 4.286 3.311 0.070) 5.417 1.685 ( 2.928 3.513 0.924) 4.665 1.745 ( -1.547 2.183 -0.003) 2.676 1.865 ( 3.397 1.385 -0.002) 3.668 1.939 ( 0.841 1.684 -1.439) 2.369 2.053 ( -6.021 7.351 1.462) 9.614 2.115 ( -3.832 1.348 0.107) 4.064 2.274 ( 2.464 -0.302 1.942) 3.152 2.301 ( -1.883 -2.735 -0.898) 3.440 2.306 ( -3.084 1.617 -0.222) 3.489 2.360 ( -0.158 0.722 -0.546) 0.919 2.368 ( 3.907 -0.257 -0.459) 3.943 2.449 ( -1.873 1.367 -0.599) 2.394 2.486 ( 2.252 2.194 0.927) 3.278 2.626 ( -2.946 -2.408 -0.625) 3.856 2.668 ( 1.972 -0.555 0.186) 2.057 2.701 ( -4.036 0.796 0.414) 4.135 2.766 ( 1.464 2.705 -3.060) 4.338 2.896 ( 0.372 -1.028 0.634) 1.264 2.926 ( 0.156 0.475 1.823) 1.890 3.079 ( -2.082 -0.704 0.109) 2.200 3.095 ( -0.883 2.343 -2.565) 3.584 3.145 ( 3.510 0.733 -2.151) 4.181 3.343 ( -1.877 2.978 0.338) 3.536 3.599 ( 1.119 -4.676 1.931) 5.182 3.839 ( 1.030 -4.467 -0.024) 4.584 4.480 ( -0.320 1.204 1.858) 2.237 4.615 ( 1.584 -4.779 -1.029) 5.138 4.785 ( -0.617 3.424 -0.497) 3.514 4.991 ( -0.535 2.087 -1.360) 2.547 5.182 ( -1.766 4.065 0.603) 4.473 5.209 ( 1.109 -0.398 0.600) 1.322 5.647 ( 1.070 -1.630 -0.830) 2.119 5.674 ( 2.202 -3.813 -0.607) 4.445 6.171 ( 1.853 -6.574 2.060) 7.134 6.219 ( -3.618 -3.594 2.398) 5.636 6.325 ( 2.353 0.970 -1.976) 3.223 6.440 ( -1.722 0.316 -0.217) 1.764 6.522 ( -3.104 1.706 -0.575) 3.589 6.564 ( 0.673 0.252 2.026) 2.150 6.690 ( -2.282 -0.883 -3.037) 3.900 6.772 ( -4.003 0.439 -0.769) 4.100 7.113 ( -1.933 -4.797 -1.302) 5.333 7.245 ( -2.203 -2.262 -2.904) 4.290 7.452 ( -1.653 -0.436 4.414) 4.733 7.678 ( -1.745 3.510 2.855) 4.849 8.223 ( -1.730 3.643 0.454) 4.058 8.358 ( -0.606 0.786 -0.400) 1.070 8.410 ( -3.024 4.596 1.342) 5.663 8.463 ( -1.321 2.209 2.995) 3.950 8.556 ( -2.402 4.189 -1.457) 5.044 8.758 ( 2.273 -1.763 -2.372) 3.729 8.891 ( -0.257 -1.532 -1.987) 2.522 8.998 ( 0.612 -0.261 1.724) 1.848 9.019 ( 1.047 3.876 -4.433) 5.981 9.166 ( -1.416 1.078 2.445) 3.024 9.353 ( -0.603 -4.127 0.031) 4.171 9.430 ( 1.144 -4.969 -0.154) 5.101 9.513 ( 0.350 -1.568 0.522) 1.690 9.644 ( 1.760 -2.435 -1.206) 3.238 9.763 ( -1.847 1.500 0.510) 2.433 9.781 ( 0.575 0.970 -0.531) 1.246 9.849 ( 0.510 4.212 0.465) 4.268 9.924 ( -4.232 1.328 0.156) 4.438 10.070 ( 1.427 -4.191 0.964) 4.531 10.187 ( -0.679 -3.331 -0.640) 3.459 10.322 ( 0.379 -0.695 0.055) 0.793 10.367 ( -1.314 0.492 0.055) 1.404======================= Grid point 77 (35/92) =======================q-point: (-0.44 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( -0.379 3.425 2.380) 4.188 0.970 ( -4.558 4.628 2.968) 7.142 1.086 ( -1.448 6.342 -1.288) 6.631 1.202 ( -2.909 0.713 -2.168) 3.698 1.279 ( -4.057 -0.334 -0.334) 4.084 1.326 ( 2.617 0.642 0.762) 2.800 1.422 ( -1.617 2.885 3.059) 4.505 1.540 ( 1.896 0.799 -0.504) 2.118 1.567 ( -2.783 1.518 -0.530) 3.214 1.601 ( 0.120 0.317 0.095) 0.351 1.693 ( -1.519 -0.858 1.157) 2.094 1.740 ( 0.016 5.198 1.951) 5.552 1.759 ( 3.848 3.632 0.340) 5.302 1.897 ( -1.423 2.567 -4.546) 5.412 1.943 ( 2.482 1.647 4.180) 5.132 2.027 ( -0.822 6.397 0.572) 6.475 2.093 ( 2.484 5.220 -0.288) 5.788 2.211 ( -4.426 -3.505 -0.522) 5.670 2.263 ( -1.778 -3.249 -1.495) 3.994 2.325 ( 0.188 -0.828 -1.960) 2.136 2.346 ( 0.041 3.606 2.425) 4.346 2.391 ( 0.171 1.080 0.423) 1.173 2.467 ( 2.467 0.716 0.907) 2.724 2.492 ( -1.896 2.762 -0.797) 3.444 2.603 ( 2.008 -1.031 -0.456) 2.303 2.626 ( -1.212 2.574 -2.238) 3.620 2.724 ( 3.515 -0.402 0.454) 3.567 2.798 ( 2.126 -1.026 0.097) 2.362 2.931 ( 0.235 -1.392 1.955) 2.412 2.998 ( 5.295 -0.255 0.443) 5.320 3.023 ( -1.833 -0.919 -1.254) 2.403 3.079 ( -0.459 -1.251 -0.041) 1.333 3.191 ( -4.216 3.491 -3.501) 6.498 3.235 ( 2.725 4.797 -1.260) 5.659 3.649 ( 0.511 -4.303 3.876) 5.814 3.819 ( -2.563 -4.178 -1.346) 5.083 4.505 ( -0.057 0.594 2.242) 2.320 4.626 ( 0.615 -4.219 -0.671) 4.316 4.794 ( 1.329 3.133 0.234) 3.412 4.965 ( 0.706 2.688 -3.193) 4.233 5.150 ( -2.341 1.834 0.822) 3.086 5.219 ( -0.669 -0.395 0.814) 1.126 5.647 ( -0.383 -1.270 -0.674) 1.488 5.671 ( -1.507 -2.864 -0.939) 3.370 6.166 ( -3.402 -5.173 1.081) 6.285 6.239 ( 1.702 -5.149 3.640) 6.532 6.370 ( 4.170 1.850 -0.869) 4.644 6.403 ( -1.528 1.557 -0.985) 2.394 6.519 ( 1.920 1.159 0.043) 2.244 6.592 ( -0.147 -1.308 1.950) 2.352 6.669 ( 3.985 -0.271 -3.558) 5.349 6.749 ( 3.039 1.768 -1.157) 3.701 7.112 ( 3.527 -4.458 -1.208) 5.812 7.194 ( 1.541 -1.080 -3.399) 3.885 7.523 ( 2.154 -2.627 6.295) 7.153 7.678 ( -0.747 2.696 1.456) 3.153 8.254 ( 3.671 3.354 1.373) 5.158 8.358 ( 1.354 1.987 -0.073) 2.406 8.403 ( 1.119 2.705 -1.061) 3.114 8.441 ( -3.792 2.060 3.896) 5.814 8.564 ( 3.880 6.127 -0.378) 7.262 8.765 ( 1.682 -1.663 -2.927) 3.764 8.858 ( -1.324 -1.444 -1.936) 2.754 9.000 ( 2.166 3.200 -4.180) 5.692 9.035 ( 0.608 0.027 2.474) 2.548 9.155 ( -1.542 0.938 0.314) 1.832 9.324 ( -1.920 -3.075 0.414) 3.649 9.446 ( -0.159 -5.764 0.279) 5.773 9.510 ( -0.674 -1.966 -0.311) 2.101 9.654 ( 0.619 -1.556 -0.392) 1.720 9.766 ( 1.626 2.415 0.656) 2.985 9.792 ( 1.046 -2.418 -0.765) 2.744 9.849 ( -3.628 3.424 0.389) 5.004 9.877 ( 2.153 3.994 -0.368) 4.553 10.101 ( 0.174 -4.952 1.676) 5.230 10.182 ( 1.303 -2.586 -0.972) 3.055 10.337 ( 0.220 -0.589 0.365) 0.726 10.363 ( 1.579 0.239 -0.048) 1.598======================= Grid point 78 (36/92) =======================q-point: (-0.33 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( -7.139 5.524 3.111) 9.547 0.903 ( -6.557 6.403 2.005) 9.382 1.034 ( -2.198 8.296 -0.573) 8.601 1.146 ( -1.187 1.492 2.977) 3.535 1.230 ( -1.893 0.574 -0.824) 2.143 1.335 ( -3.128 0.489 0.189) 3.172 1.431 ( 0.353 0.948 1.293) 1.642 1.494 ( -4.682 -0.868 0.277) 4.769 1.547 ( 1.784 -0.647 -2.798) 3.381 1.616 ( 0.358 -0.116 0.085) 0.386 1.678 ( -1.913 1.118 2.967) 3.703 1.718 ( -4.992 6.585 0.688) 8.292 1.826 ( 2.022 3.111 0.762) 3.788 1.833 ( 1.477 4.252 -4.585) 6.425 1.987 ( -3.743 2.193 -4.842) 6.501 2.010 ( 1.049 0.684 2.132) 2.472 2.094 ( -0.383 2.088 0.275) 2.141 2.168 ( -0.101 0.594 0.042) 0.604 2.270 ( 1.933 0.085 2.385) 3.071 2.282 ( -2.890 -0.164 -1.718) 3.366 2.343 ( 0.937 -1.739 0.241) 1.990 2.428 ( -2.156 1.939 -0.283) 2.914 2.476 ( 2.634 4.116 -0.925) 4.974 2.529 ( 3.789 1.227 1.902) 4.414 2.601 ( 1.322 3.234 -2.450) 4.267 2.662 ( 4.567 2.199 1.281) 5.228 2.777 ( -0.700 -1.255 1.037) 1.772 2.817 ( -3.485 0.210 -1.378) 3.753 2.888 ( 0.678 -1.411 -2.210) 2.709 2.979 ( -0.670 -0.682 0.811) 1.253 3.006 ( -0.377 -0.740 -0.816) 1.164 3.106 ( 4.822 1.414 -0.251) 5.031 3.205 ( 6.809 -2.756 -0.394) 7.356 3.341 ( 3.887 2.458 2.921) 5.448 3.682 ( -1.457 -2.749 3.304) 4.539 3.734 ( -4.329 -3.715 -1.869) 6.003 4.501 ( -2.255 -0.796 0.447) 2.432 4.614 ( -1.129 -3.066 -1.354) 3.536 4.828 ( 1.536 2.359 1.398) 3.143 4.956 ( 2.789 2.502 -4.279) 5.688 5.130 ( -1.299 -0.147 1.700) 2.145 5.197 ( -3.357 -0.042 1.386) 3.632 5.611 ( -2.085 -2.090 -1.197) 3.186 5.636 ( -0.991 -2.359 -0.278) 2.574 6.134 ( -0.959 -3.881 0.608) 4.043 6.293 ( 0.353 -2.031 2.265) 3.063 6.398 ( 2.814 -2.200 -1.406) 3.839 6.447 ( 4.548 2.234 0.548) 5.097 6.541 ( -0.678 1.197 2.318) 2.696 6.613 ( 2.330 -2.516 -2.068) 4.005 6.721 ( 5.034 0.923 -3.206) 6.039 6.838 ( 7.066 4.146 0.012) 8.192 7.194 ( 5.525 -2.975 -1.076) 6.367 7.253 ( 8.160 -0.799 -1.003) 8.260 7.629 ( 2.548 -1.496 4.458) 5.348 7.694 ( 1.570 0.265 1.525) 2.205 8.337 ( 3.666 1.586 -0.768) 4.067 8.387 ( -0.655 1.934 -0.203) 2.052 8.416 ( 3.778 1.675 1.609) 4.435 8.471 ( 3.096 5.338 1.977) 6.480 8.660 ( 6.278 3.526 0.213) 7.204 8.763 ( 2.495 -1.860 -3.928) 5.011 8.814 ( -1.597 -0.127 0.370) 1.644 8.977 ( 0.316 4.774 -4.885) 6.838 9.084 ( 1.264 -2.024 3.185) 3.980 9.133 ( 0.182 0.267 -0.910) 0.966 9.305 ( -1.812 -1.217 1.506) 2.652 9.422 ( -1.969 -5.323 0.067) 5.676 9.498 ( -0.078 -1.645 -0.913) 1.883 9.649 ( -1.403 0.420 0.094) 1.467 9.778 ( -0.804 -0.714 0.541) 1.204 9.823 ( 3.511 2.454 0.226) 4.289 9.842 ( 0.796 1.298 0.896) 1.767 9.909 ( 2.803 0.872 -1.554) 3.321 10.107 ( -1.233 -5.488 1.401) 5.797 10.208 ( 2.365 -2.816 -0.809) 3.766 10.347 ( 1.389 0.249 -0.372) 1.460 10.406 ( 2.513 0.691 0.323) 2.627======================= Grid point 79 (37/92) =======================q-point: (-0.22 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.678 ( -12.847 10.238 3.143) 16.725 0.729 ( -13.196 11.265 -0.943) 17.376 1.038 ( 2.654 5.585 -0.895) 6.248 1.187 ( -2.508 0.989 0.559) 2.753 1.215 ( 0.004 1.644 3.717) 4.064 1.269 ( -1.330 1.380 -0.122) 1.921 1.387 ( -8.192 3.479 1.610) 9.045 1.442 ( -1.182 1.219 0.815) 1.884 1.547 ( -2.712 -0.236 -0.979) 2.893 1.583 ( -1.351 1.190 -1.542) 2.370 1.618 ( -0.376 3.706 0.281) 3.736 1.698 ( -0.027 1.538 1.615) 2.231 1.784 ( -1.483 1.847 -4.998) 5.531 1.866 ( 0.170 4.314 -4.048) 5.919 1.907 ( 2.271 5.423 0.378) 5.892 2.022 ( -1.497 -2.426 0.291) 2.865 2.098 ( 0.575 -1.144 1.212) 1.763 2.157 ( -1.697 1.282 -2.342) 3.163 2.228 ( -2.193 3.079 1.757) 4.169 2.353 ( 4.263 1.289 1.136) 4.596 2.362 ( 0.815 2.289 2.612) 3.568 2.399 ( 0.743 0.254 -1.433) 1.634 2.503 ( 2.914 2.025 -2.754) 4.492 2.584 ( -1.058 2.317 0.248) 2.559 2.609 ( 1.410 1.941 1.659) 2.917 2.682 ( -3.348 2.908 0.757) 4.499 2.776 ( 1.309 -1.961 0.148) 2.362 2.824 ( 5.627 1.786 -0.205) 5.907 2.955 ( 3.002 -2.858 -0.888) 4.239 2.993 ( 5.057 -2.769 -0.380) 5.778 3.036 ( 0.968 -2.983 3.010) 4.347 3.172 ( 2.580 1.721 0.469) 3.137 3.314 ( 6.072 -4.039 -1.718) 7.492 3.395 ( 0.288 1.864 0.310) 1.912 3.633 ( -3.488 -3.316 -1.085) 4.934 3.681 ( -3.148 -1.548 1.457) 3.798 4.445 ( -3.524 -1.891 -0.240) 4.007 4.565 ( -1.876 -2.216 -1.751) 3.391 4.874 ( 1.276 1.680 2.270) 3.100 4.972 ( 3.098 1.247 -2.823) 4.373 5.131 ( -0.247 0.357 0.637) 0.771 5.140 ( -4.012 0.848 1.398) 4.332 5.580 ( 0.019 -3.537 -0.215) 3.544 5.639 ( 1.374 -1.710 -0.072) 2.195 6.137 ( 0.763 -2.725 -0.271) 2.843 6.321 ( 0.941 2.403 1.822) 3.159 6.441 ( 3.517 -5.220 -2.056) 6.622 6.510 ( 2.324 -1.289 -1.237) 2.931 6.572 ( -0.504 2.103 3.627) 4.222 6.615 ( 1.364 -2.821 -1.796) 3.612 6.777 ( 3.779 2.102 -0.815) 4.400 6.962 ( 6.482 3.602 -0.354) 7.424 7.266 ( 3.950 -0.746 -1.110) 4.170 7.410 ( 8.558 -0.142 -0.065) 8.559 7.690 ( 1.990 0.328 1.322) 2.412 7.780 ( 4.267 -1.067 3.063) 5.359 8.373 ( 1.987 1.714 -0.314) 2.643 8.378 ( -0.684 3.144 0.082) 3.218 8.482 ( 1.407 1.606 2.203) 3.068 8.568 ( 5.289 2.292 -0.929) 5.838 8.714 ( 0.829 -0.796 -2.424) 2.683 8.779 ( 3.537 -0.953 -1.565) 3.983 8.879 ( 5.673 4.084 2.072) 7.291 8.923 ( -0.385 3.399 -2.748) 4.387 9.114 ( 0.967 0.681 -1.138) 1.641 9.160 ( 1.045 -3.743 2.272) 4.501 9.277 ( -2.695 -0.750 0.443) 2.832 9.404 ( -0.232 -3.760 0.305) 3.780 9.483 ( -0.708 0.478 -0.581) 1.033 9.623 ( -0.586 1.186 0.159) 1.333 9.768 ( -2.294 -1.912 1.198) 3.218 9.865 ( 0.853 2.108 0.421) 2.313 9.893 ( 3.441 2.876 0.062) 4.485 9.940 ( 2.888 -1.569 -2.019) 3.857 10.101 ( -0.509 -6.242 1.284) 6.393 10.237 ( 1.623 -3.696 -0.721) 4.101 10.379 ( 2.583 1.100 -0.464) 2.846 10.449 ( 1.939 1.370 0.067) 2.375======================= Grid point 80 (38/92) =======================q-point: (-0.11 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.434 ( -11.076 13.191 -0.745) 17.241 0.558 ( -8.809 16.109 6.783) 19.573 1.056 ( -5.410 19.958 7.523) 22.005 1.123 ( -3.271 6.018 2.362) 7.245 1.176 ( -0.923 4.915 -1.311) 5.170 1.284 ( -1.597 -2.736 0.331) 3.185 1.350 ( 0.068 -0.845 4.306) 4.388 1.433 ( 0.316 0.842 -0.203) 0.922 1.532 ( 1.072 -1.363 -1.320) 2.179 1.563 ( 0.126 2.261 -0.662) 2.359 1.643 ( 1.371 3.894 -2.721) 4.945 1.676 ( -0.669 1.355 -3.906) 4.188 1.736 ( 0.976 -0.098 1.411) 1.719 1.840 ( -0.589 1.514 -0.532) 1.709 1.948 ( 2.523 7.375 -1.635) 7.964 1.986 ( -1.784 -2.040 -0.255) 2.722 2.088 ( 0.087 0.535 -2.461) 2.520 2.145 ( 0.754 1.430 1.385) 2.129 2.232 ( -1.476 2.568 3.203) 4.363 2.381 ( -0.426 2.721 -1.371) 3.076 2.403 ( 2.648 -1.748 0.226) 3.181 2.449 ( 2.158 0.274 0.468) 2.225 2.524 ( 1.715 1.487 -0.691) 2.373 2.562 ( 0.009 3.113 0.397) 3.138 2.636 ( -0.271 2.320 -0.821) 2.476 2.673 ( -0.275 0.566 2.383) 2.465 2.759 ( -1.280 0.443 -0.321) 1.392 2.894 ( 2.729 0.642 -1.905) 3.389 2.971 ( 0.297 -3.102 0.277) 3.128 3.075 ( -0.365 -3.576 1.260) 3.809 3.099 ( 3.721 -4.841 -0.493) 6.126 3.245 ( 5.873 0.636 2.241) 6.318 3.363 ( -1.045 -4.253 -0.464) 4.404 3.393 ( 5.323 3.360 -5.423) 8.309 3.572 ( -2.113 -3.444 -1.365) 4.265 3.608 ( -5.477 0.726 -1.285) 5.672 4.396 ( -2.316 -2.394 1.433) 3.626 4.541 ( 0.179 -1.860 0.669) 1.984 4.921 ( 1.578 0.444 2.299) 2.823 4.999 ( 1.946 -0.267 -0.409) 2.006 5.100 ( -1.405 1.770 0.514) 2.317 5.144 ( 1.607 2.474 -0.551) 3.001 5.601 ( 1.597 -4.405 0.654) 4.731 5.672 ( 2.229 -1.048 -0.049) 2.464 6.150 ( 1.131 -0.958 -0.409) 1.537 6.365 ( 2.284 2.199 1.152) 3.373 6.465 ( 2.308 -2.942 -4.643) 5.962 6.502 ( -1.039 0.234 -0.817) 1.342 6.587 ( 1.767 -5.547 0.157) 5.823 6.634 ( -1.027 -0.783 2.014) 2.392 6.836 ( 1.963 2.094 2.567) 3.851 7.050 ( 4.170 0.733 -0.566) 4.271 7.299 ( 0.441 2.183 -0.324) 2.250 7.516 ( 4.176 -0.211 -1.868) 4.579 7.744 ( 2.229 1.139 1.779) 3.071 7.874 ( 3.032 -0.239 1.332) 3.321 8.361 ( -0.398 2.679 -0.217) 2.717 8.414 ( 1.012 2.691 1.494) 3.240 8.515 ( -0.057 0.203 1.928) 1.940 8.609 ( 2.479 0.634 -2.092) 3.305 8.705 ( 1.181 3.125 -1.769) 3.780 8.838 ( 3.607 -0.318 0.191) 3.626 8.865 ( -1.230 2.137 -2.521) 3.527 9.025 ( 5.151 1.460 1.581) 5.583 9.105 ( -0.653 1.658 -0.562) 1.868 9.184 ( -0.104 -4.159 0.972) 4.272 9.224 ( -2.442 -2.641 -1.082) 3.756 9.402 ( -1.051 -0.200 0.242) 1.097 9.465 ( -0.551 2.601 -0.397) 2.688 9.664 ( 4.326 -1.041 0.756) 4.513 9.731 ( -2.441 -1.527 0.961) 3.036 9.819 ( -4.896 0.844 -2.111) 5.398 9.947 ( 2.548 1.606 -0.022) 3.012 9.981 ( 2.741 -1.586 -0.889) 3.289 10.125 ( 1.306 -5.799 1.369) 6.100 10.250 ( 1.093 -3.910 -0.952) 4.170 10.425 ( 3.183 1.463 -0.482) 3.536 10.474 ( 0.926 1.410 0.007) 1.687======================= Grid point 81 (39/92) =======================q-point: ( 0.00 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( 3.912 13.984 6.703) 15.993 0.842 ( -0.697 14.187 5.464) 15.219 1.112 ( -0.511 0.859 -0.967) 1.391 1.197 ( -1.197 -1.212 0.864) 1.910 1.249 ( 1.078 4.148 -1.777) 4.639 1.347 ( -0.744 0.160 3.076) 3.168 1.401 ( -3.126 2.419 -0.558) 3.992 1.477 ( -1.106 -5.103 0.449) 5.241 1.507 ( 0.352 1.640 -3.276) 3.681 1.614 ( -2.668 7.394 -0.834) 7.904 1.641 ( 1.700 -0.007 -2.776) 3.255 1.708 ( 1.745 4.266 2.046) 5.043 1.839 ( -0.083 6.659 0.486) 6.678 1.868 ( 1.524 1.049 1.679) 2.499 2.013 ( 1.269 2.664 2.820) 4.082 2.076 ( -0.898 1.637 -2.815) 3.377 2.110 ( 2.331 5.258 0.303) 5.759 2.204 ( -0.098 1.534 1.247) 1.979 2.228 ( -0.497 -0.167 -0.730) 0.899 2.391 ( 0.304 -2.336 -0.583) 2.427 2.453 ( -0.210 3.274 -0.380) 3.302 2.507 ( 0.263 3.601 1.321) 3.844 2.585 ( 1.922 3.765 0.139) 4.230 2.618 ( -0.209 2.356 0.296) 2.383 2.652 ( -0.643 1.562 -1.119) 2.026 2.715 ( -0.502 6.444 0.800) 6.513 2.836 ( -1.100 0.947 -1.067) 1.802 2.875 ( 1.522 -0.620 -2.283) 2.813 2.911 ( 0.423 0.238 1.419) 1.500 2.984 ( -1.981 -0.579 -3.090) 3.716 3.064 ( 1.774 -4.636 2.537) 5.574 3.224 ( -2.950 -4.816 -1.715) 5.902 3.301 ( -1.817 -4.112 2.141) 4.979 3.420 ( 3.523 -6.169 -2.909) 7.676 3.493 ( 1.762 1.641 -1.446) 2.809 3.636 ( 0.888 8.852 -3.436) 9.537 4.338 ( 0.986 -4.715 3.589) 6.007 4.488 ( -0.204 -5.938 1.475) 6.122 4.973 ( -0.463 1.613 1.904) 2.538 5.051 ( 0.529 1.216 0.892) 1.598 5.132 ( -0.411 2.706 -0.792) 2.849 5.186 ( -0.991 0.700 -1.232) 1.730 5.605 ( 4.920 -2.563 -0.769) 5.600 5.658 ( -0.769 -3.075 -0.798) 3.269 6.163 ( 0.848 -0.632 -0.372) 1.121 6.246 ( -3.413 -6.143 -2.428) 7.435 6.439 ( 2.981 -3.716 -1.176) 4.907 6.498 ( 0.714 -4.201 -1.093) 4.399 6.607 ( -5.108 3.264 1.363) 6.213 6.635 ( 8.652 3.270 -1.689) 9.402 6.880 ( -4.604 -1.026 3.550) 5.903 6.985 ( -0.729 -7.592 -0.536) 7.646 7.397 ( -0.403 6.323 0.783) 6.384 7.551 ( -0.470 3.649 -1.819) 4.105 7.801 ( -1.159 0.870 0.972) 1.745 7.898 ( -0.317 -0.579 -0.696) 0.959 8.444 ( 0.720 5.022 -0.369) 5.086 8.475 ( 1.892 1.686 -0.536) 2.590 8.557 ( -0.095 2.091 2.665) 3.389 8.704 ( 2.228 3.594 1.150) 4.382 8.742 ( -2.135 1.871 -1.171) 3.070 8.849 ( 0.638 0.313 -1.245) 1.433 8.910 ( 1.436 2.255 0.339) 2.695 9.032 ( 0.006 -2.202 -0.473) 2.253 9.131 ( 1.232 -1.478 0.164) 1.931 9.152 ( -0.886 -0.348 -1.161) 1.501 9.206 ( 2.175 2.573 2.696) 4.315 9.337 ( -8.448 -2.225 0.900) 8.783 9.500 ( 0.641 0.948 -0.402) 1.213 9.553 ( -8.186 -0.412 -0.840) 8.240 9.680 ( -0.835 -2.719 1.297) 3.127 9.735 ( 1.110 -3.476 -0.074) 3.649 9.955 ( -0.629 -1.323 -0.485) 1.543 9.968 ( -0.960 -0.913 -0.609) 1.458 10.080 ( -0.318 -0.587 1.371) 1.525 10.182 ( 0.359 -2.969 -0.676) 3.066 10.473 ( -0.639 0.568 -0.033) 0.856 10.502 ( 1.079 0.564 -0.297) 1.253======================= Grid point 82 (40/92) =======================q-point: ( 0.11 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( 0.726 11.835 4.013) 12.518 0.992 ( 6.713 4.540 2.328) 8.432 1.077 ( -1.769 6.138 1.911) 6.667 1.184 ( -1.335 4.426 -0.378) 4.639 1.237 ( -0.298 5.865 -1.027) 5.962 1.275 ( -2.290 2.304 -1.785) 3.707 1.373 ( -1.825 -4.653 1.278) 5.159 1.485 ( 1.238 -1.627 0.373) 2.078 1.523 ( 1.946 -1.324 0.473) 2.400 1.594 ( 2.156 2.102 -0.120) 3.014 1.662 ( 1.137 1.480 0.575) 1.953 1.763 ( 0.618 9.093 1.896) 9.309 1.815 ( 1.334 1.909 -2.524) 3.434 1.937 ( 1.144 0.422 2.895) 3.141 2.005 ( -2.757 3.930 -3.111) 5.721 2.067 ( 2.636 1.849 0.419) 3.247 2.167 ( -1.592 -0.229 1.626) 2.287 2.199 ( 1.525 4.896 0.750) 5.183 2.204 ( -1.455 0.735 -0.376) 1.673 2.380 ( -0.672 -2.976 -0.983) 3.205 2.434 ( -1.166 4.342 0.010) 4.496 2.506 ( -1.850 2.255 0.069) 2.918 2.602 ( -1.258 4.241 1.499) 4.671 2.625 ( -1.028 4.966 3.449) 6.133 2.651 ( 2.891 2.622 -2.610) 4.695 2.710 ( 0.362 2.289 1.078) 2.556 2.798 ( -2.007 0.058 -0.639) 2.107 2.867 ( 1.308 2.602 -4.162) 5.080 2.914 ( -1.775 3.750 -1.027) 4.274 2.948 ( 0.742 -3.968 0.240) 4.043 3.062 ( -5.747 -5.464 1.494) 8.069 3.176 ( 0.422 -1.321 0.826) 1.615 3.248 ( -3.915 -5.050 -0.467) 6.407 3.423 ( -0.749 -0.689 -3.331) 3.483 3.527 ( 3.542 1.945 -0.082) 4.042 3.608 ( 0.038 4.523 -2.429) 5.134 4.410 ( 1.883 -3.767 4.041) 5.837 4.498 ( 0.575 -5.195 -0.433) 5.245 4.954 ( -3.775 1.760 2.249) 4.733 5.062 ( 0.808 0.052 1.650) 1.838 5.102 ( -2.339 1.664 -0.780) 2.974 5.137 ( -1.335 0.056 -1.014) 1.677 5.568 ( -4.252 -5.353 1.765) 7.060 5.601 ( -2.606 -3.861 -1.207) 4.812 6.138 ( -2.530 -1.725 -1.057) 3.240 6.198 ( 0.966 -3.072 -1.191) 3.433 6.434 ( -2.355 -6.043 -0.801) 6.535 6.498 ( 0.974 -1.441 -3.010) 3.477 6.546 ( -1.569 4.052 -0.583) 4.384 6.754 ( 4.429 2.453 1.435) 5.262 6.873 ( -1.518 -0.790 2.264) 2.838 6.958 ( -1.741 -6.322 -1.029) 6.638 7.361 ( -4.104 4.320 0.871) 6.022 7.514 ( -3.790 2.898 -1.340) 4.955 7.759 ( -3.572 0.808 0.909) 3.773 7.835 ( -6.051 0.154 0.094) 6.054 8.430 ( -0.061 3.795 -0.873) 3.895 8.512 ( -3.407 0.969 1.724) 3.939 8.538 ( 0.487 3.272 2.753) 4.304 8.688 ( -1.430 1.891 -2.566) 3.493 8.730 ( -1.583 4.471 -0.484) 4.767 8.854 ( -0.325 -0.930 1.361) 1.680 8.943 ( 0.293 1.489 -0.530) 1.608 9.005 ( -1.639 1.181 -1.593) 2.572 9.112 ( -0.630 -2.550 0.208) 2.635 9.159 ( 0.763 -0.334 0.693) 1.084 9.270 ( 1.518 3.076 0.257) 3.440 9.335 ( 1.871 -2.620 1.586) 3.589 9.487 ( -1.000 0.181 -0.090) 1.020 9.565 ( 2.484 -1.344 -2.737) 3.933 9.696 ( 1.796 -2.752 0.691) 3.359 9.815 ( 7.504 -3.960 -1.456) 8.608 9.925 ( -2.107 -0.622 -0.424) 2.237 9.939 ( -1.156 -0.995 -0.307) 1.556 10.068 ( -2.537 0.144 0.917) 2.702 10.178 ( -0.192 -3.189 -0.683) 3.267 10.447 ( -2.168 1.177 -0.199) 2.475 10.493 ( -1.682 0.404 0.070) 1.732======================= Grid point 83 (41/92) =======================q-point: ( 0.22 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.890 ( 1.651 10.396 1.482) 10.630 1.012 ( 4.610 5.524 -3.804) 8.139 1.127 ( 0.981 3.188 -0.439) 3.364 1.148 ( -1.749 6.193 -0.104) 6.436 1.220 ( -0.152 3.648 1.066) 3.803 1.301 ( 1.910 2.162 2.197) 3.626 1.402 ( 2.706 0.131 1.067) 2.912 1.524 ( 2.767 0.700 0.961) 3.011 1.573 ( 1.758 -0.772 0.460) 1.974 1.633 ( 1.325 0.977 -0.080) 1.648 1.673 ( -0.086 2.490 1.839) 3.097 1.773 ( 0.690 7.271 -0.311) 7.310 1.829 ( 0.189 0.122 -1.459) 1.476 1.946 ( -0.651 0.786 2.646) 2.836 1.968 ( 1.349 4.050 -2.698) 5.050 2.075 ( -1.588 2.361 -2.037) 3.500 2.164 ( 0.878 0.887 2.339) 2.651 2.182 ( 0.425 0.220 -1.504) 1.578 2.238 ( 0.671 1.652 1.697) 2.462 2.350 ( -1.133 -1.764 -0.767) 2.232 2.429 ( -0.634 0.989 0.766) 1.403 2.461 ( -2.311 1.867 -0.463) 3.007 2.579 ( -3.423 4.034 1.416) 5.476 2.610 ( -2.885 4.328 1.030) 5.303 2.655 ( -0.769 1.264 -0.467) 1.552 2.749 ( 1.127 -1.716 0.790) 2.199 2.798 ( 0.774 2.747 0.337) 2.873 2.823 ( -2.496 5.988 -3.133) 7.205 2.890 ( 2.654 2.582 -1.730) 4.087 2.924 ( -2.778 -4.975 -1.085) 5.801 3.020 ( -1.953 -4.134 5.093) 6.844 3.156 ( -2.556 -2.709 -2.652) 4.572 3.228 ( 0.749 0.703 3.161) 3.323 3.352 ( -1.721 4.693 -3.920) 6.352 3.555 ( 0.694 0.394 -2.106) 2.252 3.638 ( 3.691 -1.274 0.733) 3.973 4.473 ( 1.465 -1.956 1.383) 2.808 4.501 ( 1.421 -4.513 -1.758) 5.048 4.913 ( -2.442 2.452 1.108) 3.634 5.042 ( -1.752 -0.112 -0.268) 1.775 5.109 ( 0.875 0.074 1.161) 1.455 5.163 ( 2.867 -0.521 2.817) 4.053 5.525 ( -0.616 -6.101 -1.144) 6.238 5.575 ( -0.341 -3.500 0.673) 3.581 6.087 ( -1.801 -1.119 -1.071) 2.376 6.210 ( -0.306 -2.839 1.189) 3.093 6.367 ( -2.859 -6.642 -1.877) 7.471 6.456 ( -1.400 -3.510 -2.825) 4.718 6.522 ( -0.557 5.220 -1.584) 5.483 6.812 ( -1.445 1.073 -1.888) 2.608 6.825 ( -4.359 0.642 4.197) 6.085 6.903 ( -3.112 -4.153 -0.647) 5.230 7.270 ( -7.010 1.335 0.511) 7.155 7.401 ( -8.188 0.657 0.478) 8.228 7.698 ( -5.904 1.973 -1.632) 6.436 7.732 ( -4.055 1.445 3.431) 5.505 8.415 ( -2.867 1.750 0.559) 3.405 8.460 ( -1.152 1.725 -0.339) 2.101 8.545 ( -4.096 3.734 0.942) 5.622 8.658 ( -4.022 5.998 1.228) 7.325 8.670 ( 2.491 -0.607 -3.615) 4.432 8.835 ( -5.041 2.002 -0.900) 5.499 8.881 ( -2.919 -0.252 1.812) 3.445 8.987 ( 0.139 1.910 -1.340) 2.337 9.138 ( 1.517 -1.687 0.906) 2.443 9.166 ( 0.079 0.625 -0.511) 0.812 9.275 ( 0.081 2.107 -0.210) 2.119 9.356 ( -1.748 -2.988 2.660) 4.366 9.471 ( -0.427 -0.945 -0.137) 1.046 9.570 ( 1.377 -1.574 -1.873) 2.808 9.737 ( 1.316 -2.856 1.018) 3.305 9.869 ( -1.251 -4.189 -0.926) 4.469 9.913 ( 2.628 1.309 -0.507) 2.980 9.923 ( -0.509 -0.312 0.163) 0.619 10.020 ( -3.396 0.145 1.024) 3.550 10.160 ( -0.795 -3.917 -0.897) 4.096 10.398 ( -3.031 1.377 -0.204) 3.335 10.455 ( -2.599 0.111 0.031) 2.601======================= Grid point 84 (42/92) =======================q-point: ( 0.33 0.29 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.930 ( 1.798 8.629 0.103) 8.815 1.092 ( 0.890 5.684 1.882) 6.053 1.128 ( 1.745 0.931 -2.699) 3.346 1.142 ( 4.183 2.365 -0.450) 4.826 1.263 ( 3.400 3.639 2.303) 5.487 1.360 ( 0.271 0.359 1.042) 1.135 1.421 ( 2.621 3.885 -1.514) 4.925 1.530 ( -0.983 2.113 -0.559) 2.397 1.611 ( 1.859 1.855 0.865) 2.765 1.675 ( 0.384 2.993 0.428) 3.047 1.705 ( 1.964 3.136 1.908) 4.163 1.769 ( -0.582 5.779 -0.946) 5.885 1.827 ( 2.262 3.739 -0.375) 4.386 1.921 ( -0.817 3.688 -3.043) 4.850 1.979 ( -3.060 0.215 -0.281) 3.081 2.059 ( 3.571 -2.042 1.136) 4.267 2.177 ( 0.619 0.005 -1.016) 1.190 2.202 ( -0.451 1.939 3.527) 4.050 2.277 ( 1.238 -0.255 1.594) 2.034 2.335 ( 0.804 -0.223 -1.498) 1.715 2.409 ( -1.630 0.299 -0.320) 1.688 2.431 ( -1.185 2.375 0.278) 2.669 2.526 ( -2.421 4.921 0.166) 5.487 2.562 ( -3.744 3.188 0.405) 4.934 2.645 ( -0.926 1.383 1.781) 2.437 2.695 ( -4.092 1.479 -5.035) 6.655 2.753 ( -2.836 0.783 -0.906) 3.078 2.799 ( 0.289 -0.557 0.831) 1.041 2.891 ( -0.488 -2.097 -0.579) 2.230 2.924 ( 0.060 -0.926 -1.270) 1.573 3.034 ( -1.533 -4.109 3.831) 5.823 3.124 ( 0.704 0.438 -0.810) 1.159 3.244 ( -0.772 5.441 -0.934) 5.574 3.343 ( 2.832 1.298 1.621) 3.512 3.536 ( -0.311 0.766 -1.760) 1.945 3.705 ( 3.013 -4.017 0.315) 5.031 4.491 ( 0.688 -0.359 -0.482) 0.914 4.515 ( 1.509 -3.905 -1.026) 4.310 4.886 ( -0.991 4.126 -0.423) 4.264 5.028 ( -0.751 1.120 1.421) 1.958 5.150 ( 1.684 -1.614 1.623) 2.841 5.236 ( 1.362 -0.014 1.897) 2.335 5.535 ( 3.233 -3.766 -1.208) 5.108 5.594 ( 2.104 -2.428 0.029) 3.213 6.058 ( -0.234 -1.860 -0.415) 1.919 6.192 ( -3.375 -2.261 2.048) 4.549 6.325 ( -0.052 -6.554 -1.663) 6.762 6.410 ( -0.293 -6.980 -2.037) 7.277 6.487 ( -1.359 3.477 -1.276) 3.945 6.694 ( -7.858 2.274 0.613) 8.203 6.773 ( -4.827 -0.670 -1.542) 5.112 6.855 ( -3.373 -1.594 0.886) 3.835 7.139 ( -7.754 -0.945 0.418) 7.822 7.263 ( -8.447 -2.452 2.788) 9.227 7.571 ( -5.342 4.045 -1.694) 6.912 7.725 ( -1.271 1.575 2.358) 3.107 8.353 ( -3.497 2.532 -0.688) 4.372 8.416 ( -3.087 2.135 -0.785) 3.835 8.495 ( -1.759 2.284 0.629) 2.951 8.587 ( -5.004 4.912 1.986) 7.287 8.699 ( 1.629 0.083 -3.036) 3.447 8.735 ( -2.224 5.627 -0.438) 6.067 8.875 ( -1.144 -1.294 1.633) 2.377 8.979 ( 0.493 1.031 -0.144) 1.151 9.134 ( -0.862 3.328 -2.035) 3.995 9.179 ( 1.189 -1.304 -0.147) 1.771 9.273 ( -0.983 -0.341 1.635) 1.938 9.349 ( -1.002 -3.972 1.048) 4.228 9.471 ( 0.401 -1.228 -0.101) 1.296 9.575 ( 1.268 -2.738 -1.517) 3.378 9.755 ( -0.567 -2.908 0.989) 3.124 9.832 ( -2.053 -2.730 -0.631) 3.474 9.911 ( -0.304 3.304 0.904) 3.439 9.944 ( 1.237 -0.484 -1.189) 1.783 9.998 ( -0.584 -0.306 1.718) 1.840 10.133 ( -0.992 -4.384 -1.167) 4.644 10.344 ( -2.597 1.040 -0.214) 2.806 10.408 ( -2.753 -0.220 0.153) 2.766======================= Grid point 85 (43/92) =======================q-point: ( 0.44 0.29 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( 1.083 7.980 -0.223) 8.057 1.085 ( -2.211 4.270 2.236) 5.303 1.137 ( 1.598 -0.111 -1.370) 2.108 1.205 ( 2.841 -0.265 -1.885) 3.419 1.313 ( -2.062 1.104 0.531) 2.399 1.376 ( 2.850 1.433 1.595) 3.566 1.462 ( -1.265 2.949 0.174) 3.213 1.550 ( 3.935 4.112 -0.576) 5.720 1.611 ( -0.228 2.659 1.004) 2.851 1.686 ( -1.150 2.837 -0.197) 3.068 1.729 ( -0.392 5.015 0.149) 5.033 1.780 ( 2.513 4.540 0.233) 5.195 1.835 ( 0.216 6.284 -0.048) 6.288 1.904 ( 1.055 3.217 0.321) 3.401 1.959 ( 1.241 0.518 0.049) 1.346 2.107 ( 0.022 -2.575 0.980) 2.756 2.185 ( 0.101 2.612 -0.054) 2.614 2.234 ( 0.460 0.540 0.948) 1.184 2.253 ( -4.431 -0.277 -0.525) 4.471 2.354 ( -0.005 -1.144 -0.583) 1.284 2.372 ( 0.015 0.698 -0.539) 0.882 2.418 ( 0.325 4.307 -0.253) 4.327 2.482 ( -2.984 1.888 -2.322) 4.226 2.525 ( 1.295 2.287 0.133) 2.631 2.591 ( -2.283 0.311 -1.751) 2.894 2.665 ( 1.196 0.326 0.024) 1.240 2.709 ( -1.679 1.548 2.067) 3.080 2.803 ( -0.838 0.610 -0.803) 1.311 2.867 ( 0.310 -1.904 -0.682) 2.045 2.927 ( 1.002 -0.834 1.294) 1.837 3.036 ( -1.530 -3.056 0.604) 3.471 3.104 ( -1.861 0.452 -0.854) 2.097 3.252 ( 3.162 6.700 -1.484) 7.555 3.409 ( -0.480 0.205 3.412) 3.451 3.509 ( 0.289 -0.610 -1.947) 2.061 3.741 ( 1.139 -5.068 -0.662) 5.236 4.500 ( 0.303 0.542 0.840) 1.045 4.531 ( 1.321 -3.576 -0.475) 3.842 4.874 ( 0.201 5.527 -0.666) 5.571 5.026 ( -0.841 1.583 0.409) 1.839 5.178 ( -0.403 -1.703 0.381) 1.791 5.239 ( -1.298 0.172 -0.007) 1.309 5.600 ( 3.610 -2.523 -0.078) 4.405 5.629 ( 1.565 -0.390 -0.225) 1.628 6.076 ( 1.996 -3.221 0.528) 3.826 6.155 ( -3.535 -2.457 2.214) 4.841 6.313 ( 1.288 -5.043 -1.860) 5.527 6.411 ( 1.376 -7.679 -0.962) 7.861 6.470 ( 0.523 0.836 0.671) 1.193 6.579 ( -5.484 0.552 1.333) 5.671 6.680 ( -2.814 -0.342 -1.323) 3.129 6.787 ( -3.430 0.376 -1.038) 3.603 7.040 ( -3.027 -2.074 0.228) 3.677 7.185 ( -4.191 -3.644 3.108) 6.364 7.492 ( -1.353 4.336 -1.335) 4.735 7.722 ( -1.133 0.655 0.682) 1.476 8.305 ( -0.606 4.456 -0.230) 4.503 8.378 ( -0.150 1.301 -1.303) 1.847 8.460 ( -2.712 0.725 0.916) 2.953 8.538 ( -3.458 5.372 3.399) 7.237 8.689 ( 2.055 6.388 -2.360) 7.113 8.729 ( 0.384 1.506 -1.025) 1.861 8.867 ( -1.173 -0.876 0.722) 1.632 9.005 ( 1.106 0.882 1.453) 2.028 9.094 ( 0.316 3.430 -3.725) 5.074 9.182 ( -0.521 0.023 -0.083) 0.528 9.280 ( -0.700 -2.568 1.443) 3.028 9.338 ( -0.911 -4.332 0.617) 4.469 9.478 ( 0.447 -1.403 -0.182) 1.484 9.584 ( 1.424 -3.928 -1.436) 4.418 9.746 ( -1.004 -2.593 0.581) 2.840 9.790 ( -1.301 -1.306 -0.437) 1.894 9.937 ( 1.780 3.815 0.431) 4.232 9.940 ( -0.485 -0.217 -0.873) 1.022 10.008 ( -0.894 -0.109 1.814) 2.026 10.110 ( 0.052 -4.430 -0.971) 4.535 10.314 ( -0.482 0.047 0.239) 0.540 10.368 ( -1.681 -0.565 -0.022) 1.774======================= Grid point 86 (44/92) =======================q-point: (-0.44 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 0.514 7.469 0.510) 7.505 1.068 ( -2.171 4.873 1.724) 5.607 1.148 ( 0.754 1.118 -0.828) 1.582 1.210 ( -0.032 -0.063 -1.851) 1.852 1.301 ( -3.944 2.229 0.302) 4.540 1.337 ( 0.615 0.672 0.374) 0.984 1.500 ( 0.930 3.178 1.710) 3.727 1.559 ( -0.512 1.030 -0.674) 1.333 1.611 ( -4.992 4.044 -1.807) 6.674 1.648 ( 0.857 4.757 0.647) 4.877 1.711 ( -1.461 2.512 0.240) 2.916 1.808 ( 0.363 2.203 0.525) 2.293 1.877 ( 1.302 6.877 2.366) 7.388 1.962 ( -0.458 4.394 -2.645) 5.150 1.982 ( 2.384 2.665 4.215) 5.527 2.080 ( -3.325 -2.241 -0.009) 4.009 2.138 ( -0.887 -1.196 0.257) 1.511 2.208 ( -2.958 -0.357 -0.824) 3.091 2.227 ( 2.707 3.596 -2.601) 5.199 2.312 ( -1.229 -0.164 -1.200) 1.726 2.379 ( -2.027 -0.311 -0.239) 2.064 2.436 ( 0.960 1.230 0.575) 1.663 2.451 ( 1.699 -0.870 -0.581) 1.995 2.528 ( 1.494 0.634 -1.627) 2.298 2.601 ( 1.846 2.445 1.401) 3.369 2.684 ( 2.820 2.324 -1.748) 4.051 2.740 ( 1.438 3.815 0.984) 4.194 2.775 ( 0.505 -1.482 -1.361) 2.074 2.892 ( 0.421 -2.737 2.016) 3.426 2.971 ( 0.666 -2.681 1.386) 3.090 3.004 ( 0.009 -1.258 -0.589) 1.389 3.078 ( 0.651 1.763 -1.200) 2.230 3.297 ( 0.391 5.813 0.036) 5.826 3.351 ( -3.550 6.688 -0.793) 7.613 3.547 ( 2.620 -5.377 2.093) 6.337 3.727 ( -1.309 -4.593 -1.937) 5.154 4.512 ( -0.504 -0.094 0.711) 0.877 4.549 ( 0.637 -3.511 0.166) 3.572 4.875 ( 0.148 5.177 0.188) 5.182 5.007 ( -0.195 1.355 -1.847) 2.299 5.145 ( -3.094 -1.891 0.717) 3.696 5.216 ( -1.177 -0.751 -0.184) 1.408 5.620 ( -1.492 -1.954 0.352) 2.483 5.631 ( -1.403 -0.216 -0.497) 1.504 6.099 ( -1.453 -1.591 0.455) 2.203 6.144 ( 1.572 -3.839 2.262) 4.725 6.327 ( 1.120 -6.462 -0.779) 6.604 6.431 ( 2.883 -3.195 -1.845) 4.682 6.507 ( 0.834 -0.838 2.318) 2.602 6.566 ( 2.560 1.274 1.504) 3.231 6.670 ( 2.851 -0.262 -1.261) 3.129 6.758 ( 2.946 -0.602 -2.026) 3.626 7.053 ( 3.815 -1.069 0.930) 4.069 7.176 ( 1.529 -0.654 0.596) 1.767 7.506 ( 2.346 0.973 2.218) 3.372 7.699 ( -0.705 -0.752 -1.534) 1.848 8.327 ( 2.438 3.952 0.304) 4.654 8.380 ( 2.343 0.723 -1.697) 2.982 8.441 ( -0.537 2.032 0.986) 2.321 8.542 ( -0.102 6.588 3.655) 7.535 8.714 ( 2.906 0.190 -3.921) 4.884 8.720 ( 0.713 6.469 -0.171) 6.510 8.851 ( -2.052 0.339 1.878) 2.802 9.029 ( 0.136 1.088 1.514) 1.869 9.078 ( 1.576 2.631 -3.429) 4.601 9.163 ( -0.735 -0.454 -1.604) 1.822 9.272 ( -1.125 -1.700 1.623) 2.605 9.339 ( -0.322 -4.641 0.535) 4.683 9.478 ( -0.165 -1.133 -0.258) 1.174 9.594 ( 1.476 -4.476 -1.123) 4.845 9.739 ( -0.246 -2.883 0.276) 2.907 9.793 ( 1.985 -0.907 -0.262) 2.198 9.910 ( -1.997 2.291 -0.047) 3.040 9.952 ( 0.025 3.280 -0.752) 3.365 10.014 ( -0.629 -2.409 2.064) 3.234 10.117 ( 1.487 -3.826 -0.871) 4.196 10.328 ( 0.984 -0.304 0.703) 1.247 10.360 ( 1.541 -0.560 -0.348) 1.676======================= Grid point 87 (45/92) =======================q-point: (-0.33 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.973 ( -2.215 7.999 1.635) 8.460 1.038 ( -3.233 6.958 1.091) 7.749 1.134 ( -0.902 2.405 -1.562) 3.006 1.190 ( -0.118 2.101 1.043) 2.349 1.258 ( -1.820 2.611 0.945) 3.320 1.343 ( -1.529 0.061 -1.510) 2.149 1.479 ( -5.722 2.221 -1.311) 6.276 1.487 ( -3.570 1.789 -0.213) 3.999 1.565 ( 1.411 3.256 -0.057) 3.549 1.635 ( -2.698 0.820 -0.161) 2.825 1.698 ( -1.088 2.526 2.189) 3.516 1.831 ( 0.792 1.736 1.318) 2.319 1.875 ( -2.352 2.658 -1.470) 3.842 1.915 ( -0.329 4.458 -0.256) 4.477 2.001 ( -2.995 0.982 0.154) 3.156 2.059 ( 1.196 2.431 -0.368) 2.734 2.128 ( -3.463 1.960 1.489) 4.248 2.173 ( 1.574 -1.486 -2.851) 3.580 2.278 ( -1.214 1.486 -0.134) 1.924 2.293 ( 6.084 0.841 -0.586) 6.169 2.343 ( -0.482 1.087 -0.277) 1.221 2.453 ( 0.114 -0.376 0.404) 0.563 2.496 ( 3.185 -1.104 0.008) 3.371 2.555 ( 1.521 1.231 0.307) 1.981 2.644 ( 2.209 1.359 1.004) 2.781 2.718 ( 1.131 5.171 -1.302) 5.451 2.773 ( 5.645 0.201 -1.509) 5.847 2.812 ( 3.027 -0.738 -0.305) 3.130 2.895 ( -2.680 0.799 1.846) 3.351 2.954 ( -1.045 -1.296 -1.044) 1.964 3.014 ( -2.327 0.296 0.616) 2.426 3.112 ( 4.321 0.282 -0.140) 4.332 3.228 ( -0.981 6.969 -0.863) 7.091 3.391 ( 2.161 1.352 2.308) 3.439 3.603 ( 0.765 -6.045 1.374) 6.246 3.663 ( -2.518 -1.769 -2.199) 3.783 4.479 ( -3.071 -1.451 -0.982) 3.535 4.545 ( -1.248 -3.909 -0.308) 4.115 4.889 ( 0.233 3.761 1.660) 4.118 4.994 ( 1.915 1.108 -3.018) 3.742 5.115 ( -1.671 -1.408 2.329) 3.194 5.188 ( -2.913 -1.155 1.401) 3.432 5.568 ( -3.963 -2.258 -1.209) 4.718 5.590 ( -1.296 -1.917 0.398) 2.348 6.089 ( 0.425 -1.053 -0.084) 1.139 6.208 ( 1.885 -4.128 2.515) 5.189 6.344 ( 2.107 -5.369 -0.454) 5.786 6.444 ( 0.937 -4.113 -2.206) 4.760 6.559 ( 3.549 1.663 -0.660) 3.975 6.635 ( 2.624 4.443 0.321) 5.170 6.735 ( 5.845 0.551 -1.666) 6.103 6.837 ( 5.859 -4.002 0.696) 7.130 7.176 ( 7.222 1.674 2.004) 7.680 7.267 ( 8.863 2.279 -0.634) 9.173 7.601 ( 3.637 -1.371 4.378) 5.854 7.684 ( 1.878 -1.565 -2.000) 3.158 8.361 ( 1.853 1.315 -0.961) 2.467 8.433 ( 4.107 1.452 -0.391) 4.374 8.457 ( 1.208 3.250 0.534) 3.508 8.603 ( 2.292 8.167 2.737) 8.913 8.697 ( 2.764 -3.893 -5.324) 7.151 8.751 ( 0.820 5.360 0.368) 5.435 8.859 ( 0.814 3.574 3.734) 5.232 9.046 ( -1.660 1.414 -2.950) 3.668 9.061 ( 2.153 0.071 0.717) 2.271 9.139 ( 0.378 0.430 -1.699) 1.793 9.278 ( -0.501 -1.234 1.221) 1.807 9.328 ( -0.740 -3.511 0.138) 3.591 9.477 ( 0.365 -0.552 -0.032) 0.663 9.610 ( 0.762 -4.458 -0.499) 4.550 9.738 ( -0.559 -3.033 0.409) 3.111 9.836 ( 2.921 -1.239 -0.272) 3.185 9.897 ( 0.813 3.134 0.450) 3.269 9.942 ( 0.052 1.977 -0.740) 2.112 10.013 ( -1.827 -3.173 1.668) 4.023 10.135 ( 1.726 -4.034 -1.161) 4.538 10.359 ( 2.298 0.712 0.055) 2.406 10.406 ( 3.073 -0.579 0.166) 3.132======================= Grid point 88 (46/92) =======================q-point: (-0.22 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( -10.046 11.151 0.996) 15.042 0.959 ( -5.306 11.568 -1.689) 12.839 1.103 ( 0.248 2.064 -1.518) 2.574 1.223 ( 0.707 0.499 0.791) 1.172 1.249 ( -0.976 2.069 3.187) 3.923 1.279 ( -1.136 1.871 -2.599) 3.398 1.393 ( -2.202 2.354 0.690) 3.297 1.454 ( 0.459 -3.075 0.866) 3.227 1.579 ( -1.970 -2.524 -0.422) 3.229 1.612 ( -0.287 5.454 3.905) 6.715 1.707 ( -0.165 0.987 1.416) 1.733 1.774 ( -5.254 6.462 -0.458) 8.341 1.834 ( -1.725 3.356 -4.842) 6.139 1.929 ( 1.092 1.421 -0.284) 1.814 1.958 ( -0.416 1.978 0.956) 2.236 2.058 ( -1.816 4.855 -0.359) 5.196 2.111 ( 0.652 2.484 0.704) 2.663 2.176 ( 2.987 0.047 -2.781) 4.082 2.251 ( -2.163 0.510 0.679) 2.323 2.353 ( 1.463 -0.462 -0.220) 1.550 2.396 ( 4.467 0.565 -0.009) 4.502 2.464 ( 0.831 2.437 0.861) 2.715 2.528 ( 1.152 2.517 -0.748) 2.867 2.595 ( 1.767 1.217 2.101) 3.003 2.692 ( 1.761 2.023 -2.938) 3.978 2.712 ( -0.602 0.336 1.592) 1.735 2.828 ( -0.740 8.494 -0.219) 8.529 2.861 ( -0.078 1.690 1.474) 2.243 2.889 ( 5.419 -2.163 -1.287) 5.975 2.925 ( 1.426 -2.903 -1.219) 3.456 3.006 ( 0.201 -0.552 1.817) 1.910 3.181 ( 2.870 -1.682 -0.044) 3.327 3.252 ( 1.757 0.264 1.665) 2.435 3.425 ( 0.349 -1.412 -0.572) 1.563 3.560 ( -2.360 -4.226 -2.730) 5.557 3.655 ( 0.237 0.818 1.188) 1.461 4.398 ( -4.338 -2.925 -0.915) 5.311 4.504 ( -2.175 -4.134 -0.738) 4.729 4.911 ( 0.688 2.113 1.014) 2.442 5.009 ( 1.538 2.296 -0.745) 2.862 5.132 ( 0.547 -0.395 1.806) 1.928 5.153 ( -2.414 0.361 2.077) 3.205 5.503 ( -1.234 -4.100 -1.009) 4.399 5.597 ( 1.321 -2.583 0.445) 2.935 6.107 ( 1.878 -0.897 -0.520) 2.145 6.257 ( 0.973 -5.951 2.386) 6.485 6.385 ( 2.960 -3.859 -1.245) 5.020 6.437 ( 1.682 -4.540 -2.597) 5.494 6.583 ( 2.329 0.805 -4.677) 5.286 6.663 ( -0.355 5.647 1.917) 5.974 6.821 ( 4.493 2.063 -0.155) 4.946 6.943 ( 4.071 -5.104 1.308) 6.659 7.309 ( 5.422 5.265 1.608) 7.726 7.435 ( 9.078 2.552 -0.498) 9.443 7.691 ( 3.236 -0.368 1.599) 3.628 7.752 ( 5.619 -1.902 1.505) 6.120 8.396 ( 3.112 1.201 -0.088) 3.337 8.462 ( 0.318 5.073 -1.124) 5.206 8.495 ( 1.044 -0.513 1.149) 1.635 8.631 ( 1.773 3.581 -2.881) 4.926 8.738 ( 3.142 3.166 0.797) 4.531 8.771 ( 2.174 0.468 0.126) 2.228 8.950 ( 4.593 2.667 2.327) 5.798 8.973 ( -2.407 1.543 -3.257) 4.334 9.101 ( 0.784 -1.791 0.769) 2.101 9.128 ( 0.144 -0.062 -0.992) 1.005 9.269 ( -1.072 0.944 -0.280) 1.456 9.343 ( 1.622 -1.774 1.302) 2.733 9.488 ( 0.475 -0.114 0.401) 0.632 9.604 ( 0.033 -3.793 -0.862) 3.890 9.727 ( -1.565 -2.190 0.857) 2.825 9.893 ( 3.593 -1.204 -0.114) 3.791 9.918 ( -2.291 -0.275 -1.180) 2.592 9.933 ( 1.441 0.828 0.568) 1.756 10.009 ( 0.692 -1.362 1.220) 1.955 10.152 ( 1.666 -4.182 -1.167) 4.650 10.406 ( 2.766 1.242 -0.086) 3.033 10.457 ( 2.310 -0.318 0.106) 2.334======================= Grid point 89 (47/92) =======================q-point: (-0.11 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( -5.871 15.985 0.006) 17.029 0.863 ( -5.692 15.053 3.009) 16.372 1.111 ( 1.372 0.918 -0.879) 1.870 1.219 ( -1.041 -3.255 -0.784) 3.506 1.241 ( 0.540 2.581 -0.108) 2.639 1.298 ( 0.738 2.462 2.807) 3.806 1.413 ( 1.253 3.959 1.426) 4.390 1.483 ( 0.583 -3.772 0.917) 3.925 1.551 ( -2.053 -2.520 0.281) 3.263 1.624 ( -2.328 8.985 4.030) 10.119 1.690 ( -1.319 1.172 -3.324) 3.763 1.713 ( -0.486 0.562 -3.741) 3.814 1.777 ( 0.866 6.892 1.869) 7.194 1.895 ( -2.207 5.328 -1.401) 5.935 1.980 ( 0.050 1.837 2.108) 2.796 2.071 ( 2.072 4.034 0.572) 4.571 2.103 ( 0.682 2.712 -2.923) 4.046 2.204 ( 0.207 3.253 -0.284) 3.271 2.229 ( -0.312 -2.194 0.730) 2.333 2.378 ( 1.551 -1.183 -0.185) 1.960 2.446 ( 1.749 1.623 -0.504) 2.439 2.488 ( 0.420 3.624 1.150) 3.825 2.550 ( 2.153 2.510 -0.633) 3.367 2.630 ( -1.187 3.650 1.364) 4.073 2.664 ( -0.337 0.020 -0.355) 0.490 2.716 ( -0.022 6.058 -0.427) 6.073 2.840 ( 1.070 7.408 0.588) 7.508 2.880 ( 0.661 -5.403 -1.179) 5.570 2.896 ( 0.359 -0.858 -0.474) 1.044 2.996 ( 2.661 -4.533 2.356) 5.760 3.033 ( 0.749 -0.761 -1.717) 2.023 3.226 ( 2.862 -3.254 0.363) 4.349 3.288 ( -0.939 -2.539 2.843) 3.926 3.412 ( 1.824 -4.292 -4.027) 6.161 3.504 ( -1.370 -1.495 -1.537) 2.544 3.658 ( 0.023 5.416 -1.296) 5.569 4.332 ( -2.796 -4.250 1.161) 5.217 4.478 ( -0.602 -4.945 0.943) 5.070 4.939 ( 1.641 1.869 0.817) 2.618 5.025 ( 0.631 2.360 0.682) 2.536 5.137 ( -0.023 1.845 0.391) 1.886 5.178 ( 1.949 1.161 0.275) 2.285 5.514 ( 3.072 -4.281 0.003) 5.270 5.634 ( 2.353 -3.159 0.129) 3.942 6.139 ( 2.264 -0.700 -0.662) 2.460 6.285 ( -0.028 -7.494 0.419) 7.506 6.410 ( 2.444 -3.411 -2.379) 4.823 6.460 ( 3.139 -5.698 -1.081) 6.595 6.573 ( 2.738 3.394 -4.133) 6.008 6.658 ( -3.038 4.411 2.464) 5.895 6.878 ( 1.256 1.514 1.251) 2.331 6.992 ( 0.615 -6.174 0.327) 6.213 7.387 ( 1.053 6.557 1.689) 6.853 7.543 ( 4.368 2.564 -1.549) 5.296 7.766 ( 2.864 1.035 1.743) 3.508 7.861 ( 4.659 -1.221 0.305) 4.826 8.440 ( 0.172 4.777 -1.302) 4.954 8.464 ( 1.648 3.101 1.091) 3.677 8.504 ( 0.512 -0.882 0.833) 1.317 8.653 ( 2.896 2.991 -0.610) 4.207 8.763 ( 0.083 2.665 -0.244) 2.677 8.834 ( 3.032 0.351 0.325) 3.069 8.908 ( -1.067 1.766 -2.182) 3.003 9.021 ( 1.236 -2.044 0.495) 2.439 9.113 ( 0.955 -2.711 -0.305) 2.891 9.140 ( 1.436 0.935 0.673) 1.841 9.228 ( -2.938 4.031 -0.900) 5.069 9.382 ( 0.117 -1.217 1.344) 1.817 9.496 ( 0.084 0.485 0.230) 0.543 9.627 ( 3.227 -3.442 -0.279) 4.726 9.696 ( -2.635 -1.958 0.561) 3.331 9.816 ( -6.779 -2.151 -1.631) 7.296 9.947 ( 2.229 -1.089 -0.387) 2.511 9.964 ( 1.345 -0.579 -0.033) 1.465 10.051 ( 1.795 -0.777 1.275) 2.335 10.171 ( 1.696 -3.662 -1.008) 4.160 10.452 ( 2.618 1.049 -0.095) 2.822 10.485 ( 0.965 -0.045 -0.105) 0.972======================= Grid point 90 (48/92) =======================q-point: ( 0.00 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 1.164 12.168 2.511) 12.478 1.053 ( -0.624 7.738 1.349) 7.879 1.116 ( -0.181 -0.918 0.535) 1.078 1.180 ( 1.279 -2.440 3.403) 4.378 1.244 ( -1.281 -1.016 2.486) 2.975 1.310 ( -0.843 -6.883 -0.333) 6.942 1.428 ( -1.433 3.548 -3.658) 5.293 1.477 ( -2.770 -0.983 -2.755) 4.029 1.513 ( 1.491 4.400 -0.697) 4.697 1.604 ( 1.695 -3.649 -3.239) 5.165 1.695 ( -0.349 2.893 0.638) 2.983 1.735 ( 1.716 -0.973 2.776) 3.406 1.907 ( 1.251 4.216 0.199) 4.402 1.948 ( -0.415 1.879 -3.671) 4.145 2.052 ( -0.681 1.146 2.667) 2.982 2.091 ( -0.029 -2.040 1.136) 2.335 2.168 ( 1.074 2.099 0.211) 2.367 2.204 ( 1.789 -1.774 -0.203) 2.528 2.240 ( -0.256 2.683 -1.250) 2.971 2.328 ( 0.126 -5.262 -1.956) 5.615 2.498 ( -1.425 3.263 2.705) 4.472 2.537 ( -0.225 -0.447 1.895) 1.960 2.657 ( -0.468 2.757 2.326) 3.638 2.685 ( 0.116 1.420 1.143) 1.826 2.693 ( -0.142 4.507 0.137) 4.511 2.810 ( 1.560 -3.993 -0.822) 4.365 2.840 ( -0.200 1.624 -1.830) 2.455 2.863 ( 1.268 3.853 -0.291) 4.067 2.962 ( -2.101 1.843 0.030) 2.795 3.007 ( 0.148 5.943 -1.580) 6.151 3.080 ( -0.090 1.091 -3.336) 3.512 3.133 ( -0.628 0.124 1.161) 1.326 3.169 ( -0.949 -8.831 -0.656) 8.906 3.277 ( 3.142 -8.620 -0.918) 9.221 3.618 ( 0.698 10.365 1.494) 10.495 3.749 ( 0.337 0.031 -1.261) 1.306 4.270 ( 0.814 -0.353 3.305) 3.422 4.356 ( 0.134 -7.379 1.787) 7.594 5.020 ( -0.241 2.946 1.141) 3.168 5.061 ( -0.266 -0.835 0.950) 1.293 5.176 ( -0.634 1.993 -1.874) 2.808 5.196 ( -1.523 0.119 -1.527) 2.161 5.565 ( 2.985 -1.076 -1.260) 3.414 5.588 ( 0.594 -3.628 -1.398) 3.933 6.144 ( 0.816 -0.899 -0.415) 1.283 6.157 ( -1.213 -2.755 -0.764) 3.106 6.384 ( 0.864 -0.676 -0.661) 1.281 6.418 ( 1.620 -3.687 -1.043) 4.160 6.675 ( 1.944 4.881 -0.314) 5.263 6.727 ( 3.644 3.144 -2.435) 5.394 6.835 ( -1.866 -3.910 1.109) 4.473 6.856 ( -4.562 -4.156 1.296) 6.306 7.516 ( -2.000 5.640 1.444) 6.155 7.584 ( -1.746 -1.040 0.606) 2.121 7.829 ( 0.155 2.216 -1.120) 2.488 7.873 ( 0.424 -2.085 -1.434) 2.566 8.501 ( -0.167 2.015 0.357) 2.053 8.524 ( 0.834 0.746 0.438) 1.202 8.611 ( 1.645 4.822 1.266) 5.250 8.704 ( 2.919 -3.619 0.205) 4.654 8.803 ( -0.789 3.770 -0.179) 3.856 8.847 ( -0.535 -0.528 -1.080) 1.316 8.943 ( 2.166 1.547 0.876) 2.802 8.987 ( -0.287 -2.401 2.280) 3.323 9.121 ( 1.203 0.221 -0.232) 1.245 9.137 ( -0.215 -1.079 -1.480) 1.844 9.260 ( -2.127 2.933 0.333) 3.638 9.308 ( -7.131 -1.625 0.444) 7.327 9.509 ( 1.054 1.097 0.218) 1.537 9.542 ( -3.687 -1.125 0.862) 3.950 9.632 ( -0.450 -1.512 0.426) 1.634 9.654 ( -0.138 -3.800 -0.077) 3.803 9.949 ( -0.383 0.374 -0.474) 0.714 9.957 ( -0.539 -0.318 -0.523) 0.816 10.100 ( 0.396 1.911 0.545) 2.026 10.137 ( 0.590 -2.134 -0.192) 2.223 10.483 ( 0.262 0.685 -0.246) 0.773 10.499 ( 0.926 -0.750 -0.433) 1.268======================= Grid point 91 (49/92) =======================q-point: ( 0.11 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.033 ( -0.107 7.569 1.173) 7.660 1.070 ( 1.016 3.071 -0.353) 3.254 1.166 ( 1.776 3.138 3.793) 5.233 1.240 ( -1.408 -2.639 1.437) 3.318 1.273 ( 4.354 1.897 4.485) 6.532 1.301 ( -0.271 -0.094 -2.239) 2.257 1.342 ( -1.411 1.270 -2.782) 3.368 1.402 ( -0.193 -5.318 -1.560) 5.546 1.547 ( 1.439 3.728 0.919) 4.101 1.603 ( 1.609 -1.503 -2.806) 3.566 1.712 ( 0.640 4.636 2.038) 5.104 1.793 ( 1.513 -2.136 1.490) 3.012 1.903 ( 0.233 2.780 -4.271) 5.102 1.928 ( 0.805 -0.731 -0.859) 1.385 2.064 ( -0.955 2.723 2.314) 3.699 2.109 ( 0.847 -0.521 2.224) 2.436 2.182 ( -1.025 2.535 0.811) 2.852 2.210 ( -1.154 0.324 -0.982) 1.549 2.242 ( 1.421 0.070 -0.748) 1.608 2.311 ( 0.679 -4.696 -2.912) 5.567 2.486 ( -2.638 3.198 1.930) 4.573 2.529 ( -3.013 -0.491 1.957) 3.626 2.667 ( -1.695 1.784 3.262) 4.086 2.680 ( -1.424 1.874 1.516) 2.800 2.715 ( 1.253 3.982 1.104) 4.318 2.785 ( -3.808 5.825 -0.609) 6.986 2.818 ( 0.206 -5.003 -1.769) 5.311 2.878 ( 1.008 2.155 -1.001) 2.581 2.918 ( -1.999 0.638 -0.326) 2.123 2.958 ( -3.638 -2.135 -1.167) 4.377 3.042 ( -0.230 3.901 -2.236) 4.502 3.128 ( 0.280 -6.577 -1.498) 6.751 3.179 ( 2.595 4.084 -0.047) 4.839 3.322 ( 2.136 -8.134 -0.237) 8.413 3.637 ( -0.729 8.011 1.860) 8.256 3.708 ( -2.608 2.314 -1.664) 3.863 4.349 ( 3.052 -1.498 3.359) 4.779 4.392 ( 1.739 -5.191 0.828) 5.537 5.006 ( -2.781 3.433 1.747) 4.751 5.057 ( -1.204 -1.216 1.311) 2.155 5.123 ( -3.545 0.386 -1.372) 3.820 5.132 ( -1.859 -0.372 -1.197) 2.242 5.484 ( -5.218 -1.787 0.040) 5.516 5.520 ( -3.341 -4.435 -0.622) 5.587 6.123 ( -0.892 0.382 -1.196) 1.540 6.151 ( 0.534 -2.210 -0.519) 2.332 6.359 ( -2.457 -0.547 -1.058) 2.730 6.410 ( -1.041 -5.065 -1.567) 5.403 6.680 ( 1.288 7.903 -1.753) 8.197 6.800 ( 3.914 1.018 -1.235) 4.229 6.829 ( -0.931 -5.292 1.097) 5.485 6.853 ( 0.128 -2.207 0.989) 2.422 7.455 ( -6.164 5.006 0.712) 7.973 7.525 ( -6.110 -1.972 0.265) 6.426 7.791 ( -2.660 2.236 -0.359) 3.494 7.825 ( -4.216 -1.266 -0.070) 4.402 8.482 ( -1.553 1.884 0.071) 2.443 8.510 ( -3.484 -0.972 1.174) 3.803 8.634 ( 0.891 6.336 1.110) 6.494 8.720 ( -1.217 -0.641 -2.999) 3.300 8.795 ( -1.138 1.413 1.353) 2.263 8.814 ( -1.860 -1.447 0.933) 2.534 8.970 ( -0.591 1.029 0.698) 1.376 9.000 ( -0.264 -1.396 1.551) 2.103 9.108 ( 0.251 2.328 -1.210) 2.635 9.150 ( 1.333 -1.059 0.910) 1.931 9.293 ( 1.545 -0.454 -1.535) 2.225 9.308 ( 2.705 -0.841 -0.638) 2.904 9.499 ( -1.447 1.153 0.173) 1.858 9.526 ( 0.015 -1.829 -0.128) 1.833 9.662 ( 3.318 0.190 -0.156) 3.328 9.718 ( 5.403 -5.139 -0.737) 7.493 9.930 ( -0.749 0.663 -0.192) 1.019 9.936 ( -0.559 0.136 -0.500) 0.762 10.092 ( -1.907 1.870 0.408) 2.701 10.129 ( -1.151 -2.216 -0.250) 2.509 10.467 ( -1.943 1.025 -0.002) 2.197 10.487 ( -1.828 -0.927 0.006) 2.050======================= Grid point 92 (50/92) =======================q-point: ( 0.22 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 1.084 5.888 0.140) 5.989 1.096 ( 2.476 1.644 -0.747) 3.065 1.192 ( -1.928 2.350 1.737) 3.501 1.218 ( -2.997 0.695 -0.821) 3.184 1.257 ( 2.722 2.260 -0.798) 3.627 1.311 ( 1.226 0.435 -0.434) 1.371 1.451 ( 4.930 1.383 0.007) 5.120 1.481 ( 9.226 -3.424 2.834) 10.241 1.581 ( 1.389 2.202 0.576) 2.666 1.619 ( 2.825 -1.644 -0.006) 3.268 1.736 ( -1.041 4.524 1.950) 5.035 1.815 ( 0.153 -2.475 -0.108) 2.482 1.867 ( 0.295 3.080 -2.320) 3.867 1.916 ( -1.089 -2.539 0.630) 2.834 2.074 ( 0.138 5.572 0.060) 5.574 2.127 ( -3.347 1.464 -1.173) 3.837 2.162 ( -0.313 -0.676 2.616) 2.720 2.183 ( 0.610 -0.622 -0.388) 0.954 2.262 ( 1.859 0.675 -0.710) 2.101 2.301 ( 1.341 -3.018 -2.155) 3.944 2.453 ( -2.750 2.683 1.136) 4.007 2.489 ( -3.153 0.041 1.436) 3.465 2.654 ( -2.756 3.190 1.739) 4.561 2.672 ( -3.190 0.708 4.210) 5.329 2.698 ( -3.993 4.183 -0.139) 5.784 2.753 ( 0.571 2.859 0.479) 2.955 2.771 ( -2.304 -4.317 -2.924) 5.701 2.863 ( -3.533 -5.615 2.368) 7.044 2.883 ( 0.116 1.617 -2.864) 3.291 2.918 ( 0.457 -0.618 -2.341) 2.464 3.020 ( -0.312 6.175 -0.814) 6.236 3.125 ( 1.974 -2.969 -2.759) 4.508 3.230 ( 1.831 2.615 1.012) 3.349 3.338 ( -0.112 -5.605 -0.109) 5.607 3.628 ( -1.432 5.353 0.461) 5.561 3.663 ( -0.100 2.026 -1.207) 2.361 4.426 ( 2.735 -2.300 0.260) 3.583 4.429 ( 2.697 -2.428 -0.108) 3.630 4.977 ( -1.781 3.959 1.029) 4.461 5.042 ( -1.328 -1.392 0.566) 2.006 5.088 ( -0.903 -0.193 1.955) 2.162 5.131 ( 1.305 -2.781 2.689) 4.082 5.457 ( 2.055 -0.367 -0.802) 2.237 5.501 ( 1.232 -3.982 -0.017) 4.168 6.091 ( -1.187 1.714 -1.512) 2.575 6.153 ( 0.246 -4.264 -0.271) 4.280 6.282 ( -4.497 0.537 -1.535) 4.782 6.355 ( -2.636 -5.863 -2.302) 6.828 6.660 ( -0.687 7.900 -3.311) 8.594 6.792 ( -1.978 -5.385 -3.157) 6.548 6.833 ( -3.073 0.257 3.166) 4.420 6.838 ( -2.136 -0.681 1.918) 2.950 7.320 ( -9.640 3.470 0.745) 10.272 7.381 ( -10.369 -2.563 0.886) 10.718 7.736 ( -4.504 1.727 -0.137) 4.825 7.752 ( -3.605 0.245 2.022) 4.141 8.446 ( -3.070 1.603 0.436) 3.490 8.470 ( -1.417 -0.701 0.100) 1.584 8.619 ( -3.155 3.760 -1.497) 5.132 8.664 ( -0.572 -0.815 -4.134) 4.252 8.759 ( -2.127 4.365 1.895) 5.213 8.822 ( -2.167 -2.425 3.166) 4.539 8.927 ( -2.977 3.739 -0.124) 4.780 8.994 ( -0.868 -2.618 -0.121) 2.761 9.129 ( 1.996 3.016 -0.563) 3.660 9.179 ( 0.286 -0.607 0.654) 0.937 9.282 ( -0.253 -0.688 -0.567) 0.927 9.308 ( -1.956 -2.579 1.159) 3.438 9.481 ( -0.326 1.986 -0.461) 2.064 9.527 ( 0.326 -2.487 -0.509) 2.559 9.700 ( 0.707 0.345 0.307) 0.845 9.761 ( 0.343 -5.528 -0.721) 5.585 9.935 ( 0.958 0.989 0.358) 1.423 9.940 ( 1.511 0.596 -0.027) 1.624 10.047 ( -3.115 2.278 0.164) 3.863 10.097 ( -1.879 -3.001 -0.572) 3.587 10.422 ( -2.978 1.264 0.026) 3.235 10.445 ( -2.803 -1.015 0.041) 2.981======================= Grid point 93 (51/92) =======================q-point: ( 0.33 0.43 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( 1.413 5.386 -0.500) 5.591 1.122 ( 1.064 -0.748 -0.935) 1.602 1.166 ( -1.787 1.610 0.572) 2.472 1.181 ( 0.163 0.391 -0.821) 0.924 1.321 ( 3.542 2.604 1.024) 4.514 1.352 ( 1.399 -0.800 0.824) 1.810 1.503 ( 2.976 4.483 -2.327) 5.862 1.564 ( 1.364 -0.600 -0.992) 1.790 1.638 ( 1.459 2.168 0.122) 2.616 1.689 ( 3.793 -1.636 -0.396) 4.150 1.766 ( 2.871 3.880 2.945) 5.654 1.830 ( 2.045 -2.340 2.650) 4.084 1.871 ( 1.544 4.361 -1.379) 4.828 1.932 ( 1.458 -2.106 1.492) 2.964 2.030 ( -4.006 2.663 -2.425) 5.387 2.043 ( -3.588 0.128 0.095) 3.592 2.183 ( 2.245 1.974 -0.197) 2.996 2.228 ( 1.018 -0.427 2.667) 2.887 2.281 ( 0.543 0.388 -0.446) 0.803 2.309 ( 2.308 -2.194 -2.973) 4.357 2.419 ( -2.247 1.754 0.833) 2.970 2.452 ( -2.114 -0.831 0.573) 2.343 2.602 ( -2.630 2.933 -2.272) 4.548 2.624 ( -5.089 1.475 1.030) 5.397 2.672 ( -2.288 2.067 3.910) 4.980 2.695 ( -1.758 -0.030 -1.257) 2.162 2.773 ( -0.210 -0.584 1.618) 1.733 2.807 ( -2.455 -0.692 -2.185) 3.359 2.876 ( 0.359 0.200 -0.575) 0.707 2.886 ( -1.005 -1.153 -1.466) 2.119 3.016 ( -0.230 4.196 0.336) 4.216 3.129 ( 1.462 -3.072 -2.938) 4.495 3.255 ( -0.811 0.380 2.436) 2.595 3.328 ( -0.852 -3.418 0.951) 3.649 3.617 ( 0.134 5.027 -0.533) 5.057 3.666 ( 1.796 -0.623 -1.699) 2.549 4.461 ( 2.561 -0.990 -1.008) 2.925 4.473 ( 1.931 -1.570 -0.208) 2.498 4.965 ( -0.018 3.934 -0.200) 3.939 5.031 ( -0.538 -2.341 0.739) 2.513 5.130 ( 1.417 1.784 3.524) 4.196 5.195 ( 1.312 -3.597 2.969) 4.845 5.516 ( 4.820 1.263 -0.689) 5.030 5.551 ( 4.348 -2.250 0.098) 4.897 6.054 ( -0.819 1.740 -1.598) 2.500 6.149 ( -0.275 -8.575 -1.202) 8.664 6.196 ( -3.512 2.613 0.740) 4.440 6.283 ( -2.573 -6.241 -1.555) 6.928 6.595 ( -2.371 6.274 -3.313) 7.480 6.691 ( -5.900 -3.254 -2.243) 7.102 6.772 ( -5.503 1.300 1.344) 5.812 6.812 ( -3.775 -2.579 1.624) 4.852 7.156 ( -9.654 2.268 1.691) 10.060 7.209 ( -10.101 -3.095 2.545) 10.867 7.657 ( -3.704 4.555 -0.399) 5.884 7.723 ( -2.050 -1.957 1.124) 3.049 8.399 ( -2.223 2.410 -0.322) 3.295 8.434 ( -2.397 -0.798 -0.678) 2.616 8.544 ( -2.708 3.203 -2.004) 4.649 8.600 ( -1.342 -2.318 -3.409) 4.335 8.755 ( -1.924 4.570 2.932) 5.760 8.811 ( -1.180 -0.536 2.134) 2.497 8.900 ( -0.870 5.078 0.684) 5.197 8.982 ( 0.129 -2.169 -0.265) 2.188 9.153 ( 1.188 0.313 -0.518) 1.334 9.166 ( -1.376 0.049 -0.705) 1.547 9.284 ( -0.897 -0.360 0.464) 1.072 9.287 ( 0.027 -1.617 0.900) 1.851 9.474 ( -0.060 1.616 -0.536) 1.704 9.519 ( -0.304 -2.794 -0.969) 2.973 9.705 ( -0.511 -1.046 0.675) 1.346 9.741 ( -1.402 -4.732 -0.170) 4.938 9.961 ( 1.196 1.854 0.546) 2.273 9.971 ( 1.377 1.420 -0.408) 2.020 10.006 ( -0.950 1.296 0.680) 1.745 10.058 ( -1.558 -3.596 -0.857) 4.012 10.368 ( -3.091 1.416 -0.033) 3.400 10.393 ( -3.015 -1.209 0.045) 3.248======================= Grid point 94 (52/92) =======================q-point: ( 0.44 0.43 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 0.593 4.581 -0.399) 4.637 1.121 ( -0.162 -0.365 -0.224) 0.458 1.156 ( 0.785 2.083 -0.359) 2.255 1.191 ( 1.654 -1.294 -1.125) 2.382 1.339 ( -1.543 1.667 0.552) 2.338 1.371 ( -0.101 -1.471 0.390) 1.525 1.524 ( 0.698 3.538 0.482) 3.638 1.576 ( 0.180 -1.387 -0.202) 1.413 1.685 ( 4.848 3.922 -1.649) 6.450 1.724 ( 1.589 0.276 -1.497) 2.200 1.820 ( -2.115 4.016 2.456) 5.161 1.842 ( -1.140 2.087 0.574) 2.446 1.925 ( 1.787 2.225 0.938) 3.004 1.946 ( 1.132 -0.048 -0.137) 1.141 1.987 ( 1.003 2.853 1.239) 3.268 2.038 ( 1.616 -3.606 1.542) 4.241 2.209 ( -1.335 2.515 1.363) 3.157 2.242 ( -2.410 0.012 0.241) 2.422 2.261 ( -0.501 -0.150 -1.537) 1.623 2.308 ( 1.379 -3.850 -3.542) 5.411 2.396 ( -0.593 1.810 -0.249) 1.921 2.433 ( -0.481 -1.831 -0.042) 1.893 2.524 ( -2.320 2.502 -4.479) 5.630 2.542 ( -0.672 0.469 -3.305) 3.405 2.664 ( -2.572 3.578 2.334) 4.987 2.679 ( -0.669 1.186 0.166) 1.372 2.764 ( 0.022 1.053 -0.601) 1.212 2.790 ( -0.157 -1.891 2.661) 3.269 2.854 ( 0.141 2.701 -0.712) 2.797 2.897 ( 0.469 -1.707 1.642) 2.414 3.013 ( -0.361 2.483 -0.107) 2.511 3.115 ( 1.135 -2.636 -3.310) 4.381 3.271 ( -0.833 -0.702 4.076) 4.219 3.341 ( -0.483 -4.483 3.638) 5.794 3.606 ( 0.009 6.028 -2.226) 6.426 3.678 ( 1.644 -2.155 -2.379) 3.606 4.491 ( 1.511 -0.599 -0.217) 1.640 4.497 ( 0.868 -0.705 0.194) 1.135 4.971 ( 0.817 4.405 -0.561) 4.515 5.032 ( -0.413 -1.689 0.302) 1.764 5.166 ( -0.880 1.139 0.806) 1.649 5.208 ( -1.884 -2.565 0.765) 3.273 5.594 ( 3.515 1.620 0.048) 3.871 5.624 ( 2.822 -0.889 0.064) 2.960 6.052 ( 2.259 1.227 -0.112) 2.573 6.136 ( -1.287 -3.058 1.637) 3.700 6.172 ( -0.200 -3.598 -0.041) 3.604 6.246 ( -0.280 -7.302 -0.545) 7.328 6.528 ( -1.464 3.081 -1.403) 3.689 6.572 ( -4.444 -1.402 -0.385) 4.676 6.697 ( -2.934 2.635 0.192) 3.948 6.760 ( -1.995 -3.098 -0.905) 3.794 7.048 ( -4.282 2.526 2.655) 5.636 7.113 ( -4.545 -3.855 4.295) 7.346 7.595 ( -1.648 6.002 -2.307) 6.638 7.692 ( -1.570 -3.722 -1.177) 4.207 8.371 ( -0.269 2.362 -0.221) 2.388 8.394 ( -0.967 -0.087 -0.494) 1.089 8.493 ( -0.429 3.242 -1.798) 3.731 8.561 ( 0.594 -2.884 -2.417) 3.810 8.753 ( -2.015 5.087 3.159) 6.318 8.824 ( -0.614 -0.917 2.277) 2.530 8.894 ( -0.497 6.560 0.744) 6.621 8.996 ( 0.893 -2.994 0.727) 3.207 9.131 ( -0.728 0.777 -1.878) 2.159 9.154 ( -0.103 -1.991 -1.161) 2.307 9.284 ( 0.207 1.566 0.273) 1.603 9.293 ( -0.285 -0.108 0.475) 0.564 9.468 ( -0.017 0.298 -0.328) 0.443 9.506 ( 0.211 -3.797 -0.872) 3.901 9.700 ( -0.606 -1.418 0.485) 1.617 9.721 ( -0.563 -3.802 -0.016) 3.843 9.956 ( -0.660 2.443 -0.301) 2.548 9.992 ( 0.845 0.696 -0.691) 1.295 10.024 ( 0.133 0.474 0.678) 0.838 10.037 ( 0.500 -2.540 0.347) 2.612 10.325 ( -1.341 1.055 0.038) 1.706 10.349 ( -1.663 -1.312 -0.108) 2.121======================= Grid point 95 (53/92) =======================q-point: (-0.44 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 0.242 4.034 0.047) 4.041 1.119 ( 0.186 0.144 -0.029) 0.237 1.175 ( 0.820 2.042 -0.097) 2.203 1.202 ( 0.767 -0.790 -0.997) 1.485 1.331 ( -0.697 1.164 0.527) 1.455 1.348 ( -1.452 -0.175 0.038) 1.463 1.546 ( 0.641 2.345 0.888) 2.588 1.572 ( 0.137 -0.066 -0.068) 0.167 1.678 ( -2.995 2.376 -3.073) 4.905 1.700 ( -2.033 0.101 -2.183) 2.985 1.803 ( -0.012 5.548 1.868) 5.854 1.838 ( -1.592 1.265 0.467) 2.086 1.969 ( -0.871 1.483 1.680) 2.404 1.996 ( 0.038 -2.988 1.914) 3.548 2.026 ( -0.071 1.790 2.456) 3.039 2.039 ( -1.683 1.278 2.106) 2.983 2.131 ( -2.805 1.137 -0.506) 3.068 2.186 ( -3.923 -2.970 -0.941) 5.010 2.265 ( 3.868 2.198 -3.674) 5.770 2.309 ( 2.816 -1.367 -2.366) 3.924 2.379 ( -1.099 1.206 -0.962) 1.894 2.411 ( -1.753 -1.829 -0.352) 2.558 2.488 ( 2.543 3.044 -3.253) 5.130 2.526 ( 2.349 -0.742 -2.251) 3.337 2.658 ( 0.807 1.366 0.565) 1.684 2.678 ( 1.625 -1.073 -1.182) 2.278 2.761 ( -0.310 1.745 0.423) 1.822 2.827 ( -0.016 -3.856 3.068) 4.927 2.878 ( 2.297 5.496 0.409) 5.970 2.926 ( 0.538 -1.817 1.872) 2.663 3.006 ( 0.519 4.307 -0.724) 4.398 3.110 ( 2.304 -1.208 -3.301) 4.204 3.315 ( 0.252 -0.935 4.785) 4.882 3.374 ( -1.939 -4.796 5.559) 7.594 3.573 ( 0.184 7.143 -3.787) 8.087 3.669 ( 0.585 -2.724 -3.028) 4.115 4.502 ( -0.811 -0.543 0.092) 0.981 4.505 ( -0.230 -1.093 0.271) 1.149 4.970 ( -0.564 4.122 -0.272) 4.170 5.011 ( -1.148 -0.745 -1.236) 1.844 5.125 ( -3.378 0.722 0.944) 3.581 5.174 ( -1.905 -3.420 -0.085) 3.915 5.609 ( -2.179 0.608 0.575) 2.334 5.627 ( -2.715 -0.683 -0.130) 2.803 6.106 ( -1.214 1.187 0.779) 1.868 6.130 ( 3.651 4.207 0.429) 5.587 6.183 ( 0.114 -6.952 1.158) 7.049 6.273 ( 3.679 -9.842 0.216) 10.510 6.543 ( 4.155 2.430 -0.271) 4.822 6.579 ( 4.887 -1.019 0.101) 4.993 6.682 ( 1.374 2.366 -0.612) 2.804 6.732 ( 1.150 -2.323 -2.379) 3.518 7.079 ( 3.540 3.321 4.246) 6.449 7.146 ( 2.747 -2.967 4.968) 6.406 7.561 ( 1.035 4.474 -2.458) 5.209 7.650 ( -0.223 -4.204 -3.268) 5.330 8.383 ( 0.725 1.622 0.003) 1.776 8.392 ( 1.808 0.403 -0.537) 1.929 8.494 ( 2.594 3.792 -1.814) 4.939 8.572 ( 3.370 -3.540 -2.328) 5.413 8.748 ( -2.026 5.833 2.903) 6.823 8.827 ( -1.775 -1.276 2.508) 3.327 8.904 ( 0.171 7.249 1.712) 7.451 9.015 ( -0.274 -3.683 1.364) 3.937 9.106 ( 0.535 1.016 -2.780) 3.008 9.136 ( 0.395 -2.051 -1.993) 2.887 9.275 ( -0.981 1.864 0.622) 2.196 9.301 ( 0.300 -0.226 0.055) 0.380 9.471 ( 0.565 0.449 -0.063) 0.724 9.509 ( 1.079 -3.764 -0.907) 4.019 9.696 ( -0.297 -1.140 0.342) 1.227 9.725 ( 1.044 -4.211 0.083) 4.340 9.948 ( 0.007 2.254 -0.270) 2.270 9.981 ( -0.358 -0.531 -1.112) 1.283 10.023 ( -1.141 1.721 1.074) 2.328 10.057 ( 0.570 -2.241 0.339) 2.337 10.329 ( 1.531 0.477 0.224) 1.619 10.345 ( 1.626 -0.984 -0.292) 1.923======================= Grid point 96 (54/92) =======================q-point: (-0.33 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( -0.164 4.095 0.542) 4.134 1.125 ( 0.374 0.935 -0.140) 1.017 1.166 ( -2.250 2.441 0.384) 3.342 1.202 ( 0.151 -0.764 -0.282) 0.829 1.310 ( -0.963 2.129 0.561) 2.403 1.340 ( -0.530 -0.724 0.303) 0.947 1.495 ( -5.851 2.980 -3.296) 7.346 1.567 ( -2.117 0.848 -0.660) 2.374 1.598 ( -5.481 0.319 -1.910) 5.813 1.638 ( 0.425 0.899 0.736) 1.238 1.787 ( -4.669 3.158 2.753) 6.273 1.844 ( 0.699 0.543 0.917) 1.275 1.875 ( -3.248 2.086 -0.637) 3.912 1.971 ( -1.792 -1.382 1.310) 2.615 2.024 ( -2.291 1.578 -1.155) 3.012 2.093 ( -1.013 -4.736 0.141) 4.845 2.106 ( 2.348 3.211 0.957) 4.092 2.161 ( 1.650 -1.211 0.087) 2.049 2.312 ( 0.200 2.587 -1.468) 2.981 2.322 ( 3.935 2.454 -1.543) 4.887 2.353 ( -1.034 -0.320 -0.713) 1.296 2.393 ( 2.098 -4.000 -0.744) 4.578 2.526 ( 3.644 3.126 -0.486) 4.826 2.566 ( 3.036 -0.734 -0.188) 3.129 2.686 ( 2.104 1.165 -0.780) 2.528 2.723 ( 3.678 -3.009 -0.511) 4.780 2.764 ( 0.102 3.711 0.806) 3.799 2.849 ( -0.334 -4.072 2.092) 4.590 2.922 ( 2.519 3.648 -0.179) 4.437 2.953 ( 0.705 0.107 1.341) 1.518 3.020 ( 1.526 4.897 -0.644) 5.170 3.122 ( 2.646 -1.483 -3.062) 4.310 3.350 ( -2.212 0.302 1.728) 2.824 3.370 ( -4.133 -1.989 5.533) 7.187 3.550 ( 1.666 4.724 -3.327) 6.013 3.649 ( 1.107 -2.263 -2.292) 3.406 4.457 ( -3.803 -0.333 -1.015) 3.950 4.481 ( -2.666 -2.611 -0.207) 3.737 4.953 ( -0.707 2.822 -0.059) 2.910 4.994 ( 0.657 -1.298 -0.300) 1.486 5.101 ( -1.180 1.049 2.582) 3.026 5.149 ( -1.929 -2.929 1.856) 3.968 5.544 ( -5.225 0.024 -0.235) 5.230 5.561 ( -3.058 -1.389 0.573) 3.407 6.093 ( 0.580 1.721 -1.037) 2.091 6.154 ( -0.307 -3.583 0.252) 3.605 6.253 ( 4.671 -0.041 0.913) 4.760 6.337 ( 3.071 -6.534 -0.649) 7.249 6.611 ( 4.233 3.487 -3.196) 6.347 6.674 ( 5.173 -2.118 -1.954) 5.922 6.744 ( 4.922 1.310 1.444) 5.294 6.771 ( 4.988 -1.746 0.090) 5.285 7.240 ( 8.051 4.271 5.107) 10.447 7.295 ( 8.415 -0.587 3.299) 9.057 7.591 ( 3.985 0.959 -0.107) 4.100 7.637 ( 3.200 -3.106 -3.174) 5.474 8.393 ( 1.364 2.041 -0.804) 2.583 8.429 ( 2.334 -1.435 -0.444) 2.776 8.534 ( 3.808 4.493 -2.029) 6.229 8.618 ( 4.701 -4.254 -3.544) 7.263 8.755 ( -0.393 6.678 3.053) 7.353 8.818 ( -2.093 0.558 2.469) 3.285 8.935 ( 0.801 4.298 2.506) 5.040 9.010 ( -1.602 -3.555 0.671) 3.957 9.091 ( 1.444 1.778 -2.923) 3.713 9.127 ( 0.393 -1.850 -1.727) 2.561 9.277 ( 0.110 1.706 1.373) 2.193 9.309 ( 1.004 -0.336 0.152) 1.069 9.478 ( 0.419 0.743 -0.374) 0.932 9.517 ( 0.600 -4.035 -1.042) 4.211 9.701 ( 0.436 0.053 0.511) 0.674 9.758 ( 2.258 -5.336 0.317) 5.803 9.946 ( -0.387 1.902 0.058) 1.942 9.964 ( -0.687 0.088 -0.383) 0.791 10.015 ( -0.253 2.305 0.605) 2.397 10.068 ( 1.064 -3.214 -0.511) 3.424 10.373 ( 2.952 0.786 0.081) 3.056 10.390 ( 3.227 -0.987 -0.022) 3.375======================= Grid point 97 (55/92) =======================q-point: (-0.22 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -4.630 6.949 0.834) 8.391 1.109 ( -2.655 3.976 -0.271) 4.789 1.127 ( 0.030 0.714 -0.140) 0.728 1.187 ( -1.464 -3.131 -0.744) 3.535 1.315 ( -4.104 4.202 -0.683) 5.913 1.334 ( 2.405 3.406 1.219) 4.344 1.389 ( -0.556 -2.197 0.304) 2.287 1.478 ( -4.718 -7.282 0.862) 8.719 1.520 ( -1.983 9.426 -0.623) 9.652 1.667 ( 0.804 -3.120 0.617) 3.280 1.741 ( -4.096 2.179 2.131) 5.106 1.778 ( -2.858 -1.851 -2.553) 4.256 1.908 ( 1.624 5.299 -1.005) 5.632 1.958 ( 0.609 1.479 -1.226) 2.016 1.999 ( -0.506 0.829 2.588) 2.765 2.076 ( -0.641 -4.248 0.662) 4.347 2.160 ( 1.260 2.133 0.500) 2.527 2.179 ( 1.899 0.320 -1.889) 2.698 2.277 ( -1.287 2.544 -0.599) 2.913 2.332 ( 0.462 -2.464 -1.114) 2.744 2.401 ( 4.351 1.600 0.331) 4.647 2.447 ( 3.060 -2.573 0.727) 4.064 2.585 ( 2.673 2.950 0.382) 3.999 2.618 ( 2.209 -0.217 1.210) 2.528 2.707 ( 1.129 1.560 -1.530) 2.460 2.764 ( 1.031 -0.052 1.769) 2.049 2.790 ( 2.071 0.027 -0.580) 2.151 2.861 ( 0.090 -3.373 0.335) 3.390 2.969 ( 1.514 3.091 0.857) 3.547 2.985 ( 3.845 4.371 -1.126) 5.929 3.028 ( -0.389 4.719 -0.136) 4.737 3.134 ( 1.973 -2.959 -2.401) 4.291 3.291 ( -4.520 0.657 1.014) 4.678 3.336 ( -4.341 -5.848 1.148) 7.373 3.557 ( 2.174 6.406 -1.828) 7.008 3.673 ( 2.971 -2.152 -0.435) 3.694 4.362 ( -5.357 0.167 -0.820) 5.422 4.417 ( -3.695 -4.666 -0.328) 5.961 4.959 ( 1.166 3.162 0.311) 3.385 5.018 ( 1.359 -2.146 0.647) 2.621 5.130 ( 0.787 0.726 2.511) 2.730 5.149 ( -0.342 -0.840 2.536) 2.694 5.469 ( -2.335 1.458 -0.175) 2.758 5.535 ( -0.614 -4.170 0.677) 4.269 6.103 ( 1.755 0.858 -1.270) 2.330 6.155 ( 0.440 -4.697 -0.280) 4.726 6.323 ( 3.184 -0.258 -0.714) 3.273 6.366 ( 2.263 -3.756 -2.106) 4.865 6.631 ( 2.563 4.177 -3.533) 6.042 6.713 ( 2.312 -2.488 -2.331) 4.119 6.841 ( 3.203 1.028 1.716) 3.777 6.867 ( 3.383 -1.536 1.847) 4.149 7.417 ( 5.865 5.186 3.602) 8.618 7.471 ( 7.695 0.080 1.207) 7.789 7.683 ( 5.730 0.116 0.507) 5.753 7.710 ( 6.827 -2.376 -0.314) 7.235 8.424 ( 2.866 1.836 -0.179) 3.408 8.463 ( 1.772 -2.123 0.013) 2.766 8.567 ( 2.055 5.384 -2.033) 6.111 8.647 ( 3.033 -2.412 -3.567) 5.267 8.795 ( 1.075 3.208 1.961) 3.911 8.816 ( -0.482 2.025 2.258) 3.071 8.973 ( 0.564 -0.073 1.028) 1.175 8.974 ( -2.193 -0.788 -0.656) 2.420 9.091 ( 0.582 0.625 -1.289) 1.547 9.112 ( 0.043 -1.328 -0.537) 1.433 9.313 ( 2.363 3.154 1.052) 4.079 9.348 ( 2.410 0.713 0.752) 2.623 9.481 ( 0.383 -0.370 -0.361) 0.643 9.508 ( 0.222 -4.438 -0.970) 4.548 9.712 ( -0.489 1.292 0.512) 1.473 9.790 ( 0.209 -6.433 -0.146) 6.438 9.938 ( -0.536 1.292 0.448) 1.469 9.949 ( -0.432 0.331 0.247) 0.598 10.036 ( 2.062 2.533 -0.083) 3.267 10.087 ( 1.936 -3.001 -0.846) 3.670 10.425 ( 2.704 0.951 0.071) 2.868 10.444 ( 2.600 -0.947 0.028) 2.767======================= Grid point 98 (56/92) =======================q-point: (-0.11 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( -2.614 12.089 0.781) 12.393 1.075 ( -2.277 6.385 0.738) 6.819 1.126 ( -0.228 -0.031 -0.258) 0.346 1.154 ( -0.991 -3.645 0.453) 3.805 1.251 ( -3.170 1.810 2.558) 4.458 1.347 ( -2.199 -5.159 -0.605) 5.640 1.422 ( 2.564 2.468 0.856) 3.660 1.482 ( 3.050 -2.557 -0.690) 4.040 1.512 ( 0.086 5.974 1.084) 6.072 1.641 ( -1.467 -5.251 -3.619) 6.544 1.707 ( -1.066 1.063 0.120) 1.511 1.720 ( -2.311 -0.086 0.877) 2.473 1.899 ( -0.090 7.287 -0.684) 7.320 1.971 ( 1.108 1.184 -1.436) 2.166 2.029 ( -0.147 1.236 3.120) 3.359 2.077 ( 0.080 -3.319 0.762) 3.406 2.162 ( -0.043 1.922 -0.664) 2.034 2.191 ( 1.255 -1.451 -1.772) 2.611 2.259 ( -0.344 3.645 -0.613) 3.712 2.340 ( 0.983 -3.797 -1.123) 4.080 2.472 ( 1.833 2.063 2.008) 3.413 2.503 ( 1.886 -0.816 1.455) 2.518 2.628 ( 1.534 3.544 1.070) 4.007 2.663 ( 1.438 -0.346 1.087) 1.836 2.695 ( -0.834 4.092 -0.169) 4.179 2.799 ( 0.909 -5.182 -0.134) 5.263 2.823 ( 2.255 2.308 0.638) 3.290 2.857 ( 0.560 -1.078 -1.864) 2.225 2.985 ( -0.552 7.898 0.608) 7.940 3.007 ( 0.195 6.247 -0.828) 6.304 3.067 ( 4.650 2.705 -1.032) 5.477 3.135 ( 0.667 -5.703 -2.086) 6.109 3.219 ( -5.406 -4.632 2.302) 7.482 3.274 ( -1.324 -8.290 -1.868) 8.601 3.586 ( 1.927 9.604 0.096) 9.796 3.726 ( 2.946 -1.632 -0.445) 3.397 4.277 ( -3.816 0.386 1.050) 3.976 4.363 ( -2.455 -6.747 0.880) 7.234 4.992 ( 1.858 3.471 0.587) 3.980 5.045 ( 0.871 -1.190 0.702) 1.633 5.168 ( 2.040 1.689 0.198) 2.655 5.191 ( 2.191 -0.193 0.651) 2.294 5.474 ( 3.354 1.219 -0.036) 3.568 5.551 ( 1.945 -5.496 0.086) 5.831 6.124 ( 1.972 -0.159 -1.001) 2.217 6.162 ( 0.855 -4.659 -0.662) 4.783 6.360 ( 2.332 -0.448 -1.006) 2.579 6.388 ( 2.856 -2.825 -1.834) 4.416 6.638 ( 2.228 4.582 -2.351) 5.611 6.719 ( 1.050 -1.379 -1.616) 2.370 6.874 ( -1.479 -0.202 1.261) 1.954 6.904 ( -1.318 -2.184 1.432) 2.925 7.508 ( 1.083 5.547 2.159) 6.050 7.571 ( 2.823 -0.663 0.442) 2.934 7.787 ( 4.891 1.619 0.161) 5.154 7.827 ( 5.846 -2.289 -0.594) 6.306 8.480 ( 2.420 0.876 0.175) 2.579 8.491 ( 1.614 -0.452 0.756) 1.839 8.573 ( 1.023 6.475 -0.770) 6.601 8.667 ( 2.427 -2.604 -1.425) 3.834 8.810 ( -0.388 2.801 0.708) 2.915 8.845 ( 1.147 -0.203 0.398) 1.231 8.928 ( -1.391 1.141 -0.542) 1.879 8.970 ( -1.023 -2.901 0.836) 3.188 9.098 ( 1.663 1.025 -0.630) 2.053 9.130 ( 1.654 -1.644 0.014) 2.332 9.336 ( -1.974 5.801 -0.763) 6.175 9.382 ( -0.345 0.810 1.405) 1.659 9.487 ( 0.954 -0.764 -0.307) 1.260 9.534 ( 2.993 -5.438 0.322) 6.216 9.679 ( -3.549 0.739 0.148) 3.628 9.735 ( -5.588 -4.932 -0.592) 7.477 9.946 ( 0.769 0.630 0.077) 0.997 9.955 ( 0.667 -0.226 -0.037) 0.705 10.074 ( 1.921 2.112 0.147) 2.859 10.115 ( 2.019 -2.475 -0.570) 3.244 10.466 ( 1.841 0.599 0.012) 1.936 10.478 ( 1.490 -0.631 -0.207) 1.631======================= Grid point 126 (57/92) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( -3.701 0.000 16.525) 16.934 0.800 ( 7.206 0.000 16.090) 17.630 1.020 ( 1.745 0.000 -8.131) 8.317 1.058 ( -1.420 0.000 -6.660) 6.809 1.151 ( 1.162 0.000 2.047) 2.353 1.179 ( -5.722 0.000 -5.044) 7.628 1.288 ( -3.843 0.000 8.492) 9.321 1.435 ( 2.159 0.000 -4.823) 5.284 1.486 ( -1.214 0.000 1.702) 2.090 1.519 ( -0.742 0.000 -1.637) 1.797 1.611 ( -2.610 0.000 5.697) 6.267 1.656 ( 3.608 0.000 -0.443) 3.635 1.770 ( 4.334 0.000 3.731) 5.719 1.874 ( -1.250 0.000 -0.451) 1.329 1.919 ( 2.353 0.000 0.940) 2.533 1.954 ( 0.523 0.000 -5.770) 5.794 2.064 ( 5.564 0.000 5.558) 7.865 2.199 ( -2.544 0.000 -4.186) 4.898 2.224 ( -3.771 0.000 3.119) 4.894 2.289 ( -1.472 0.000 0.768) 1.660 2.385 ( 0.438 0.000 -2.729) 2.764 2.389 ( -0.394 0.000 -6.881) 6.892 2.563 ( -1.051 0.000 1.771) 2.059 2.565 ( -1.694 0.000 0.617) 1.803 2.611 ( 0.201 0.000 -1.136) 1.154 2.627 ( 3.709 0.000 -0.175) 3.713 2.773 ( -1.928 0.000 2.741) 3.351 2.828 ( 0.905 0.000 -3.378) 3.497 2.969 ( -2.770 0.000 -0.361) 2.793 3.032 ( 3.946 0.000 -6.846) 7.902 3.163 ( -1.802 0.000 3.727) 4.140 3.227 ( 1.098 0.000 -2.499) 2.729 3.398 ( 4.515 0.000 -0.030) 4.515 3.405 ( -10.335 0.000 0.056) 10.336 3.459 ( 7.137 0.000 1.345) 7.263 3.509 ( -1.809 0.000 -3.222) 3.695 4.536 ( 2.672 0.000 3.398) 4.323 4.581 ( -0.411 0.000 -0.826) 0.923 5.020 ( -1.234 0.000 2.065) 2.406 5.043 ( -0.341 0.000 -0.458) 0.571 5.098 ( 0.901 0.000 0.944) 1.305 5.111 ( 0.537 0.000 -0.397) 0.668 5.683 ( -0.311 0.000 1.033) 1.079 5.697 ( -0.127 0.000 -0.635) 0.648 6.222 ( -0.063 0.000 3.882) 3.883 6.316 ( -1.277 0.000 -5.336) 5.487 6.446 ( 5.024 0.000 0.941) 5.111 6.464 ( -4.252 0.000 -0.663) 4.303 6.647 ( -4.524 0.000 0.989) 4.631 6.667 ( 3.696 0.000 -0.833) 3.789 6.998 ( -0.765 0.000 4.881) 4.941 7.072 ( 1.444 0.000 -2.472) 2.863 7.295 ( 2.422 0.000 2.776) 3.685 7.380 ( -2.977 0.000 -5.493) 6.248 7.837 ( 1.056 0.000 2.923) 3.108 7.880 ( -2.302 0.000 -1.261) 2.624 8.396 ( -4.679 0.000 1.193) 4.829 8.403 ( 4.355 0.000 0.621) 4.399 8.567 ( -2.864 0.000 2.680) 3.923 8.612 ( 2.707 0.000 -1.874) 3.293 8.668 ( 6.658 0.000 0.030) 6.658 8.695 ( -6.353 0.000 -2.536) 6.841 8.935 ( 2.620 0.000 1.658) 3.101 8.979 ( -2.330 0.000 -2.749) 3.603 9.157 ( 0.677 0.000 2.840) 2.920 9.208 ( -2.238 0.000 -2.566) 3.405 9.299 ( 1.901 0.000 3.400) 3.895 9.366 ( -0.788 0.000 -3.110) 3.208 9.407 ( 3.970 0.000 3.373) 5.209 9.484 ( -9.942 0.000 -4.285) 10.826 9.771 ( -1.646 0.000 1.776) 2.422 9.796 ( 1.549 0.000 -0.523) 1.635 9.973 ( -1.207 0.000 1.024) 1.583 9.991 ( 0.517 0.000 -0.939) 1.072 10.239 ( -3.090 0.000 1.914) 3.634 10.277 ( 2.774 0.000 -1.923) 3.376 10.434 ( 1.142 0.000 -0.036) 1.142 10.440 ( -2.432 0.000 -0.692) 2.528======================= Grid point 127 (58/92) =======================q-point: ( 0.11 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( -9.196 0.000 -4.637) 10.299 0.902 ( -0.817 0.000 3.312) 3.411 0.936 ( 2.886 0.000 -11.962) 12.305 0.962 ( -3.227 0.000 9.949) 10.459 1.156 ( 1.951 0.000 1.469) 2.442 1.230 ( 3.366 0.000 3.344) 4.744 1.317 ( -2.383 0.000 6.179) 6.623 1.396 ( 0.505 0.000 -5.510) 5.533 1.489 ( -0.413 0.000 -2.121) 2.161 1.502 ( -1.005 0.000 3.522) 3.663 1.607 ( 0.209 0.000 0.631) 0.664 1.701 ( -0.859 0.000 0.843) 1.203 1.854 ( 2.035 0.000 -4.447) 4.890 1.888 ( 1.768 0.000 -7.710) 7.910 1.895 ( -0.897 0.000 2.761) 2.903 1.937 ( 5.466 0.000 -0.376) 5.479 2.064 ( -1.264 0.000 -6.239) 6.366 2.194 ( 0.356 0.000 2.831) 2.853 2.315 ( 6.459 0.000 7.382) 9.808 2.322 ( -1.907 0.000 5.068) 5.415 2.336 ( 2.933 0.000 -6.672) 7.288 2.377 ( 0.531 0.000 0.852) 1.004 2.536 ( -2.936 0.000 2.256) 3.703 2.546 ( -2.444 0.000 1.617) 2.930 2.623 ( 2.819 0.000 -2.002) 3.458 2.656 ( 1.720 0.000 -3.881) 4.245 2.768 ( -2.598 0.000 4.156) 4.901 2.806 ( -0.720 0.000 -1.963) 2.091 2.920 ( -2.975 0.000 3.213) 4.379 3.036 ( 2.364 0.000 -4.275) 4.885 3.171 ( -2.591 0.000 2.807) 3.820 3.211 ( 0.169 0.000 -3.082) 3.086 3.247 ( -8.286 0.000 4.428) 9.395 3.350 ( -6.409 0.000 -2.736) 6.968 3.560 ( 3.500 0.000 0.487) 3.533 3.572 ( 8.647 0.000 0.179) 8.649 4.555 ( -3.567 0.000 1.775) 3.984 4.563 ( 0.939 0.000 -2.740) 2.896 4.987 ( -4.281 0.000 1.602) 4.571 5.035 ( 0.581 0.000 -0.766) 0.962 5.087 ( -1.388 0.000 -0.501) 1.476 5.107 ( 0.534 0.000 -0.776) 0.942 5.668 ( -1.751 0.000 0.831) 1.938 5.686 ( 0.110 0.000 -0.540) 0.551 6.222 ( -2.806 0.000 -2.774) 3.946 6.243 ( 1.330 0.000 2.509) 2.840 6.421 ( -0.972 0.000 0.127) 0.980 6.511 ( 1.333 0.000 -0.018) 1.333 6.580 ( -4.365 0.000 1.357) 4.571 6.719 ( 2.823 0.000 -0.503) 2.868 6.966 ( -6.229 0.000 3.075) 6.947 7.027 ( -2.114 0.000 -4.307) 4.798 7.322 ( -1.114 0.000 -4.016) 4.168 7.366 ( -0.286 0.000 3.859) 3.870 7.794 ( -5.851 0.000 -1.079) 5.949 7.846 ( -3.790 0.000 3.631) 5.249 8.345 ( -1.192 0.000 -0.176) 1.205 8.502 ( 2.541 0.000 3.129) 4.031 8.518 ( -5.026 0.000 2.642) 5.678 8.587 ( -1.973 0.000 -5.808) 6.134 8.619 ( 1.132 0.000 -2.711) 2.938 8.785 ( 5.573 0.000 0.379) 5.586 8.891 ( -4.076 0.000 -2.705) 4.892 8.988 ( 1.054 0.000 1.833) 2.114 9.133 ( -3.135 0.000 -2.308) 3.893 9.172 ( -1.747 0.000 4.229) 4.576 9.337 ( 0.232 0.000 2.578) 2.588 9.350 ( 4.444 0.000 -5.187) 6.830 9.446 ( 3.716 0.000 -2.467) 4.461 9.552 ( 2.440 0.000 5.103) 5.656 9.762 ( 0.421 0.000 0.563) 0.703 9.844 ( 6.661 0.000 -2.689) 7.184 9.933 ( -4.251 0.000 1.419) 4.482 9.959 ( -2.911 0.000 -0.513) 2.956 10.210 ( -1.924 0.000 1.476) 2.425 10.276 ( -0.326 0.000 -1.458) 1.494 10.398 ( -1.000 0.000 0.289) 1.041 10.423 ( -2.096 0.000 0.076) 2.098======================= Grid point 128 (59/92) =======================q-point: ( 0.22 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.628 ( 9.052 0.000 -5.481) 10.582 0.934 ( 7.732 0.000 -5.579) 9.534 0.978 ( -1.732 0.000 2.756) 3.255 1.019 ( 4.932 0.000 6.856) 8.445 1.211 ( 2.076 0.000 0.396) 2.114 1.239 ( -4.471 0.000 4.785) 6.548 1.362 ( 1.636 0.000 -2.930) 3.356 1.405 ( 3.674 0.000 0.726) 3.746 1.485 ( 2.497 0.000 -0.634) 2.577 1.503 ( -1.420 0.000 4.142) 4.378 1.607 ( -0.507 0.000 -0.163) 0.532 1.640 ( -4.841 0.000 -0.906) 4.925 1.803 ( -2.899 0.000 -0.476) 2.938 1.864 ( -1.764 0.000 -0.283) 1.786 1.885 ( 6.472 0.000 -10.913) 12.687 2.063 ( 6.484 0.000 0.262) 6.489 2.099 ( 7.586 0.000 -0.037) 7.586 2.251 ( 2.032 0.000 2.385) 3.133 2.277 ( -1.647 0.000 -1.836) 2.466 2.314 ( -2.623 0.000 -0.506) 2.672 2.353 ( -0.157 0.000 -0.231) 0.279 2.397 ( -5.082 0.000 1.024) 5.184 2.503 ( -2.900 0.000 -3.490) 4.538 2.516 ( -2.247 0.000 0.673) 2.345 2.651 ( 1.748 0.000 -1.025) 2.027 2.669 ( 1.586 0.000 0.376) 1.630 2.764 ( -2.074 0.000 -0.232) 2.087 2.772 ( -1.792 0.000 4.217) 4.582 2.981 ( 0.328 0.000 9.175) 9.181 3.011 ( -0.057 0.000 -4.116) 4.117 3.106 ( -4.263 0.000 2.473) 4.928 3.121 ( -6.021 0.000 -6.663) 8.980 3.226 ( -3.196 0.000 -1.794) 3.665 3.258 ( 0.101 0.000 6.994) 6.994 3.606 ( 1.413 0.000 1.029) 1.748 3.726 ( 7.425 0.000 0.923) 7.483 4.514 ( -2.109 0.000 0.717) 2.227 4.560 ( 2.440 0.000 -3.053) 3.908 4.910 ( -5.467 0.000 0.294) 5.475 5.012 ( -1.294 0.000 -3.327) 3.570 5.097 ( 2.928 0.000 0.828) 3.043 5.130 ( 2.039 0.000 0.788) 2.186 5.647 ( -0.873 0.000 0.056) 0.874 5.674 ( -0.452 0.000 -0.987) 1.085 6.180 ( 0.156 0.000 -0.476) 0.501 6.277 ( 0.392 0.000 -0.616) 0.730 6.407 ( -2.124 0.000 2.512) 3.290 6.509 ( -1.387 0.000 0.070) 1.389 6.532 ( -2.775 0.000 2.538) 3.761 6.745 ( 0.936 0.000 -1.436) 1.714 6.837 ( -10.359 0.000 0.824) 10.392 6.918 ( -3.670 0.000 -5.944) 6.985 7.277 ( -0.159 0.000 -2.057) 2.063 7.346 ( -5.751 0.000 2.623) 6.321 7.669 ( -7.743 0.000 1.359) 7.862 7.798 ( -5.467 0.000 3.627) 6.561 8.345 ( 1.348 0.000 -0.886) 1.613 8.434 ( -7.976 0.000 -1.506) 8.117 8.461 ( -4.665 0.000 2.982) 5.536 8.531 ( -4.072 0.000 1.476) 4.332 8.645 ( 5.296 0.000 -3.033) 6.104 8.768 ( -6.154 0.000 -0.795) 6.205 8.873 ( 3.881 0.000 -2.431) 4.579 8.979 ( -3.233 0.000 -1.435) 3.537 9.053 ( -2.733 0.000 0.070) 2.734 9.192 ( -1.193 0.000 4.167) 4.334 9.368 ( 3.476 0.000 -3.403) 4.864 9.372 ( 0.990 0.000 2.053) 2.279 9.498 ( 4.771 0.000 -2.314) 5.302 9.571 ( -2.827 0.000 2.506) 3.778 9.804 ( 1.716 0.000 1.149) 2.066 9.864 ( -5.119 0.000 1.645) 5.377 9.889 ( -3.501 0.000 0.254) 3.510 9.919 ( 4.431 0.000 -3.942) 5.930 10.177 ( -3.951 0.000 2.094) 4.471 10.253 ( -0.411 0.000 -1.076) 1.152 10.378 ( -2.677 0.000 -0.165) 2.682 10.387 ( -0.760 0.000 0.290) 0.814======================= Grid point 129 (60/92) =======================q-point: ( 0.33 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( 11.563 0.000 0.361) 11.568 0.959 ( -4.990 0.000 6.563) 8.244 1.039 ( 4.790 0.000 -1.850) 5.135 1.162 ( 4.851 0.000 -2.296) 5.367 1.223 ( 0.858 0.000 -1.345) 1.595 1.268 ( 6.737 0.000 3.033) 7.388 1.411 ( 2.428 0.000 -1.047) 2.644 1.414 ( 3.340 0.000 3.335) 4.720 1.531 ( -5.135 0.000 -0.925) 5.218 1.562 ( 3.112 0.000 2.289) 3.863 1.573 ( 2.587 0.000 2.098) 3.331 1.623 ( 1.064 0.000 1.537) 1.869 1.752 ( -1.778 0.000 -0.916) 2.000 1.829 ( -1.171 0.000 -0.161) 1.183 1.884 ( 2.323 0.000 -4.036) 4.657 2.113 ( -2.072 0.000 -0.843) 2.237 2.201 ( 2.741 0.000 -4.095) 4.928 2.230 ( -5.488 0.000 -1.063) 5.590 2.295 ( -0.066 0.000 0.847) 0.849 2.303 ( 6.726 0.000 2.239) 7.089 2.328 ( -0.607 0.000 -1.910) 2.004 2.346 ( 0.500 0.000 1.885) 1.950 2.416 ( -2.056 0.000 -2.565) 3.288 2.493 ( -0.437 0.000 0.334) 0.550 2.660 ( -1.043 0.000 -1.306) 1.672 2.675 ( -0.122 0.000 2.434) 2.437 2.740 ( -2.359 0.000 2.290) 3.288 2.752 ( -4.411 0.000 -1.145) 4.557 2.935 ( -1.034 0.000 -6.790) 6.868 2.976 ( -1.848 0.000 -1.426) 2.334 2.999 ( -4.843 0.000 5.564) 7.376 3.102 ( -1.248 0.000 0.588) 1.379 3.164 ( -2.119 0.000 -2.225) 3.073 3.348 ( 0.778 0.000 4.179) 4.251 3.650 ( 1.564 0.000 2.947) 3.337 3.834 ( 4.383 0.000 -0.561) 4.419 4.506 ( -0.734 0.000 2.713) 2.810 4.589 ( 3.836 0.000 -2.353) 4.501 4.818 ( -4.767 0.000 0.373) 4.782 4.941 ( -1.645 0.000 -4.380) 4.679 5.169 ( 3.625 0.000 0.180) 3.629 5.176 ( 0.684 0.000 2.345) 2.443 5.642 ( 0.513 0.000 -0.572) 0.768 5.665 ( 1.393 0.000 -1.471) 2.026 6.216 ( 3.869 0.000 0.148) 3.872 6.261 ( -0.524 0.000 -0.316) 0.612 6.386 ( -3.321 0.000 2.754) 4.314 6.467 ( -3.272 0.000 -0.236) 3.280 6.539 ( -0.274 0.000 2.999) 3.012 6.651 ( -10.969 0.000 1.210) 11.036 6.704 ( -2.139 0.000 -4.597) 5.070 6.801 ( -2.815 0.000 -4.436) 5.253 7.240 ( -7.189 0.000 0.650) 7.218 7.243 ( -1.438 0.000 -3.091) 3.409 7.588 ( -4.352 0.000 4.852) 6.518 7.741 ( -4.889 0.000 3.061) 5.768 8.287 ( -7.361 0.000 1.279) 7.472 8.353 ( 0.547 0.000 -1.895) 1.972 8.425 ( -1.956 0.000 1.998) 2.796 8.462 ( -5.216 0.000 1.498) 5.427 8.654 ( -6.747 0.000 1.229) 6.858 8.697 ( 3.592 0.000 -2.766) 4.534 8.891 ( -0.914 0.000 -3.842) 3.950 8.891 ( 1.416 0.000 -3.713) 3.974 9.036 ( -1.196 0.000 2.122) 2.436 9.203 ( -1.427 0.000 1.686) 2.209 9.403 ( 3.895 0.000 -2.701) 4.740 9.408 ( 0.295 0.000 1.825) 1.848 9.559 ( -1.080 0.000 2.898) 3.092 9.561 ( 5.476 0.000 -2.898) 6.196 9.791 ( -3.570 0.000 0.646) 3.628 9.824 ( -1.486 0.000 1.311) 1.982 9.824 ( -3.875 0.000 0.384) 3.894 9.942 ( 1.735 0.000 -3.255) 3.688 10.132 ( -3.093 0.000 2.486) 3.968 10.240 ( -0.414 0.000 -0.532) 0.674 10.334 ( -1.700 0.000 -0.120) 1.704 10.376 ( -0.953 0.000 0.373) 1.023======================= Grid point 130 (61/92) =======================q-point: ( 0.44 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( -4.432 0.000 4.613) 6.397 0.964 ( 4.467 0.000 -2.387) 5.065 1.047 ( -3.955 0.000 5.023) 6.394 1.168 ( 2.179 0.000 -5.009) 5.462 1.255 ( 4.830 0.000 -1.880) 5.183 1.376 ( -3.835 0.000 -2.154) 4.398 1.451 ( -0.984 0.000 4.581) 4.686 1.498 ( 6.217 0.000 -1.822) 6.478 1.504 ( 1.724 0.000 4.163) 4.506 1.611 ( -1.279 0.000 -0.318) 1.318 1.645 ( 3.651 0.000 0.005) 3.651 1.649 ( 2.316 0.000 2.606) 3.486 1.740 ( 0.970 0.000 0.217) 0.994 1.824 ( 0.554 0.000 -3.669) 3.711 1.900 ( 2.487 0.000 0.916) 2.650 2.061 ( -3.191 0.000 -1.827) 3.677 2.098 ( -7.800 0.000 8.487) 11.527 2.209 ( 3.427 0.000 -2.696) 4.361 2.308 ( 1.022 0.000 -1.062) 1.474 2.314 ( -0.257 0.000 -0.568) 0.623 2.343 ( -2.003 0.000 -1.256) 2.364 2.412 ( 2.998 0.000 0.173) 3.003 2.416 ( 1.048 0.000 0.836) 1.341 2.496 ( -2.403 0.000 -4.992) 5.540 2.555 ( -3.429 0.000 -0.220) 3.436 2.634 ( -0.149 0.000 -1.728) 1.734 2.728 ( -1.585 0.000 3.167) 3.541 2.770 ( 1.787 0.000 2.163) 2.806 2.932 ( 2.585 0.000 0.015) 2.585 2.987 ( -2.108 0.000 4.380) 4.861 2.996 ( 7.069 0.000 -0.066) 7.069 3.048 ( -2.857 0.000 -2.313) 3.676 3.111 ( 0.168 0.000 -3.343) 3.348 3.290 ( -8.454 0.000 -2.837) 8.917 3.726 ( 1.802 0.000 4.880) 5.202 3.864 ( 0.767 0.000 -2.431) 2.549 4.537 ( -0.444 0.000 4.311) 4.334 4.626 ( 2.750 0.000 -2.739) 3.881 4.770 ( -1.663 0.000 1.958) 2.569 4.875 ( -0.252 0.000 -4.748) 4.755 5.192 ( -1.884 0.000 2.807) 3.381 5.212 ( 1.856 0.000 -0.733) 1.996 5.651 ( 0.701 0.000 -0.016) 0.701 5.682 ( 1.598 0.000 -1.782) 2.393 6.278 ( 1.773 0.000 1.795) 2.523 6.307 ( 6.547 0.000 -1.043) 6.630 6.350 ( -4.292 0.000 2.425) 4.930 6.390 ( -4.736 0.000 -0.857) 4.813 6.511 ( -4.926 0.000 1.951) 5.298 6.584 ( 0.982 0.000 3.348) 3.489 6.606 ( -1.673 0.000 -5.357) 5.612 6.720 ( -2.062 0.000 -3.408) 3.983 7.147 ( -2.428 0.000 -0.698) 2.526 7.169 ( -2.441 0.000 -2.631) 3.589 7.613 ( 0.489 0.000 4.924) 4.948 7.693 ( -3.457 0.000 1.856) 3.924 8.225 ( -2.251 0.000 3.191) 3.905 8.324 ( -0.230 0.000 -2.977) 2.986 8.395 ( -4.270 0.000 2.546) 4.972 8.433 ( 1.937 0.000 -1.675) 2.561 8.570 ( -5.899 0.000 5.106) 7.802 8.707 ( 2.594 0.000 -5.356) 5.951 8.855 ( 0.585 0.000 -1.694) 1.793 8.888 ( 1.495 0.000 -3.363) 3.680 9.056 ( 0.459 0.000 3.195) 3.227 9.175 ( -1.757 0.000 -1.502) 2.312 9.408 ( -2.377 0.000 2.018) 3.119 9.441 ( 3.801 0.000 -3.125) 4.921 9.583 ( -1.244 0.000 3.654) 3.860 9.624 ( 4.829 0.000 -3.042) 5.707 9.755 ( -1.685 0.000 1.360) 2.166 9.771 ( -1.859 0.000 0.183) 1.868 9.814 ( 0.470 0.000 0.401) 0.617 9.898 ( -3.322 0.000 -1.859) 3.807 10.141 ( 1.265 0.000 1.902) 2.284 10.213 ( -1.876 0.000 -0.673) 1.993 10.330 ( 1.070 0.000 0.185) 1.086 10.359 ( -1.230 0.000 0.036) 1.231======================= Grid point 131 (62/92) =======================q-point: (-0.44 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -2.812 0.000 2.430) 3.717 0.987 ( 0.322 0.000 -0.978) 1.030 1.034 ( -5.404 0.000 8.148) 9.777 1.148 ( 1.133 0.000 -3.409) 3.592 1.247 ( -5.840 0.000 -1.986) 6.169 1.335 ( 3.317 0.000 1.234) 3.539 1.451 ( -3.651 0.000 2.735) 4.562 1.524 ( -0.226 0.000 -1.936) 1.949 1.577 ( 2.904 0.000 2.454) 3.802 1.596 ( 1.527 0.000 -2.804) 3.193 1.660 ( -1.907 0.000 -1.105) 2.205 1.701 ( 1.864 0.000 -3.600) 4.054 1.752 ( -3.336 0.000 -1.715) 3.751 1.769 ( 1.485 0.000 1.347) 2.005 1.951 ( -3.275 0.000 -2.579) 4.169 1.995 ( 3.959 0.000 3.869) 5.535 2.113 ( -5.629 0.000 6.351) 8.487 2.254 ( 1.752 0.000 -3.405) 3.829 2.291 ( -1.936 0.000 0.422) 1.982 2.313 ( -3.127 0.000 -1.127) 3.324 2.332 ( 2.108 0.000 -1.065) 2.362 2.366 ( 5.509 0.000 4.355) 7.023 2.420 ( -2.081 0.000 -1.189) 2.397 2.443 ( 0.334 0.000 -1.272) 1.315 2.591 ( 1.187 0.000 2.348) 2.631 2.600 ( -1.210 0.000 -2.044) 2.375 2.772 ( 3.520 0.000 1.479) 3.818 2.789 ( 1.721 0.000 -2.497) 3.033 2.972 ( -3.633 0.000 -3.706) 5.189 2.997 ( 3.734 0.000 1.321) 3.960 3.014 ( -2.407 0.000 1.659) 2.923 3.053 ( -8.191 0.000 -0.882) 8.239 3.086 ( 4.351 0.000 -4.034) 5.933 3.222 ( 10.402 0.000 3.531) 10.985 3.789 ( -0.815 0.000 4.870) 4.937 3.814 ( -2.668 0.000 -3.584) 4.468 4.564 ( -1.572 0.000 3.442) 3.784 4.621 ( 0.761 0.000 -3.837) 3.912 4.795 ( 0.862 0.000 2.984) 3.106 4.837 ( 1.694 0.000 -4.505) 4.813 5.180 ( -2.366 0.000 2.549) 3.477 5.227 ( 0.535 0.000 -0.690) 0.873 5.657 ( -0.709 0.000 0.576) 0.913 5.668 ( -0.871 0.000 -1.595) 1.817 6.285 ( -4.496 0.000 0.853) 4.576 6.294 ( -4.972 0.000 -0.072) 4.973 6.355 ( 3.867 0.000 3.040) 4.919 6.399 ( 5.065 0.000 -2.242) 5.539 6.518 ( 1.768 0.000 3.024) 3.503 6.576 ( 4.910 0.000 -4.542) 6.689 6.647 ( 1.447 0.000 3.760) 4.029 6.660 ( -0.028 0.000 -3.936) 3.936 7.149 ( 3.194 0.000 -0.978) 3.341 7.150 ( 2.969 0.000 -0.460) 3.005 7.661 ( -1.264 0.000 0.011) 1.264 7.683 ( 2.529 0.000 3.004) 3.927 8.264 ( 2.176 0.000 2.770) 3.523 8.304 ( 2.681 0.000 -4.321) 5.086 8.380 ( -0.608 0.000 3.137) 3.195 8.440 ( 1.272 0.000 -1.839) 2.236 8.575 ( -0.858 0.000 6.890) 6.943 8.695 ( 3.510 0.000 -6.234) 7.154 8.850 ( -0.690 0.000 0.158) 0.708 8.868 ( -0.115 0.000 -2.809) 2.812 9.116 ( 1.967 0.000 3.754) 4.239 9.121 ( -1.329 0.000 -2.888) 3.179 9.382 ( -3.070 0.000 2.562) 3.998 9.467 ( 3.028 0.000 -3.492) 4.622 9.565 ( -4.409 0.000 2.815) 5.231 9.642 ( 0.219 0.000 -2.011) 2.023 9.764 ( 1.452 0.000 0.987) 1.756 9.784 ( 3.189 0.000 -1.775) 3.649 9.820 ( -2.492 0.000 -0.106) 2.495 9.855 ( 1.481 0.000 2.184) 2.639 10.177 ( -0.388 0.000 -1.604) 1.650 10.192 ( 1.859 0.000 1.517) 2.399 10.338 ( -0.568 0.000 -0.558) 0.796 10.360 ( 1.717 0.000 0.076) 1.719======================= Grid point 132 (63/92) =======================q-point: (-0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( -7.404 0.000 -0.154) 7.406 0.917 ( -12.212 0.000 5.521) 13.402 1.031 ( -5.075 0.000 9.428) 10.707 1.128 ( 0.915 0.000 -6.272) 6.338 1.207 ( 3.960 0.000 1.714) 4.315 1.316 ( -6.258 0.000 -1.341) 6.400 1.412 ( -0.995 0.000 -1.167) 1.533 1.516 ( -0.100 0.000 -3.681) 3.683 1.547 ( -1.507 0.000 -2.339) 2.782 1.598 ( -2.522 0.000 -1.118) 2.759 1.619 ( -3.367 0.000 -2.809) 4.385 1.642 ( 1.883 0.000 -0.212) 1.895 1.739 ( 1.067 0.000 -0.007) 1.068 1.814 ( 1.777 0.000 1.187) 2.137 1.839 ( -7.344 0.000 -1.753) 7.551 2.075 ( 1.009 0.000 2.775) 2.952 2.111 ( 0.133 0.000 4.227) 4.229 2.205 ( -2.110 0.000 0.933) 2.307 2.282 ( -1.087 0.000 2.343) 2.583 2.337 ( 2.672 0.000 -2.837) 3.898 2.352 ( -6.335 0.000 -2.420) 6.781 2.357 ( 1.863 0.000 2.615) 3.211 2.389 ( 0.215 0.000 -1.549) 1.564 2.506 ( 3.366 0.000 -0.234) 3.374 2.632 ( 1.253 0.000 1.908) 2.283 2.650 ( 7.927 0.000 3.955) 8.859 2.769 ( -8.234 0.000 -2.274) 8.543 2.789 ( 1.253 0.000 -2.625) 2.909 2.861 ( 5.355 0.000 -0.091) 5.356 2.982 ( 1.057 0.000 -0.862) 1.363 3.072 ( 3.853 0.000 0.032) 3.853 3.098 ( 1.844 0.000 4.220) 4.606 3.148 ( 7.607 0.000 -5.848) 9.595 3.379 ( 3.521 0.000 0.934) 3.643 3.717 ( -3.365 0.000 -3.351) 4.749 3.793 ( -3.833 0.000 3.551) 5.225 4.543 ( -3.825 0.000 2.110) 4.368 4.578 ( -0.607 0.000 -4.117) 4.161 4.851 ( 4.446 0.000 -2.943) 5.332 4.855 ( 1.757 0.000 3.887) 4.266 5.161 ( -2.350 0.000 1.101) 2.595 5.205 ( -2.537 0.000 -0.452) 2.577 5.638 ( -1.556 0.000 0.936) 1.816 5.640 ( -0.446 0.000 -0.517) 0.683 6.222 ( -2.595 0.000 -0.753) 2.702 6.243 ( -1.324 0.000 1.345) 1.887 6.442 ( 3.448 0.000 -2.626) 4.335 6.457 ( 4.389 0.000 1.211) 4.553 6.595 ( 1.628 0.000 5.322) 5.566 6.609 ( 1.257 0.000 -3.934) 4.129 6.698 ( 10.007 0.000 -3.408) 10.572 6.718 ( 2.227 0.000 3.982) 4.562 7.212 ( 3.540 0.000 0.030) 3.540 7.255 ( 8.771 0.000 -0.656) 8.796 7.654 ( 1.614 0.000 -1.512) 2.211 7.759 ( 3.451 0.000 1.448) 3.743 8.318 ( 0.998 0.000 1.240) 1.592 8.332 ( 4.717 0.000 -2.852) 5.512 8.441 ( 4.539 0.000 0.729) 4.597 8.460 ( 1.052 0.000 1.945) 2.211 8.652 ( 2.681 0.000 1.864) 3.266 8.709 ( 4.424 0.000 -4.028) 5.983 8.839 ( -1.052 0.000 1.315) 1.684 8.841 ( 0.158 0.000 0.010) 0.158 9.083 ( 0.414 0.000 -2.443) 2.478 9.190 ( 2.355 0.000 2.503) 3.437 9.353 ( -3.409 0.000 2.401) 4.170 9.464 ( 0.492 0.000 -3.452) 3.487 9.510 ( -4.311 0.000 2.061) 4.778 9.608 ( -0.984 0.000 -1.788) 2.041 9.793 ( 1.828 0.000 0.256) 1.846 9.817 ( 2.972 0.000 1.098) 3.168 9.858 ( 4.329 0.000 -2.113) 4.817 9.878 ( -2.297 0.000 2.962) 3.748 10.179 ( 2.888 0.000 -2.164) 3.609 10.221 ( -0.438 0.000 1.491) 1.554 10.342 ( 2.100 0.000 -0.816) 2.253 10.385 ( 1.326 0.000 -0.409) 1.388======================= Grid point 133 (64/92) =======================q-point: (-0.22 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( -18.242 0.000 -2.216) 18.376 0.723 ( -16.590 0.000 10.670) 19.725 1.062 ( -0.908 0.000 5.819) 5.889 1.096 ( 2.239 0.000 -5.482) 5.921 1.166 ( -8.401 0.000 1.056) 8.467 1.329 ( 6.416 0.000 0.403) 6.428 1.398 ( -3.495 0.000 -4.497) 5.696 1.399 ( 1.269 0.000 -2.498) 2.802 1.503 ( -4.233 0.000 0.271) 4.242 1.556 ( -0.905 0.000 -1.047) 1.384 1.599 ( -1.762 0.000 3.588) 3.997 1.635 ( 0.002 0.000 -2.599) 2.599 1.703 ( -3.390 0.000 0.899) 3.507 1.794 ( 2.221 0.000 0.907) 2.399 1.853 ( 1.269 0.000 0.703) 1.451 2.066 ( -3.773 0.000 -0.186) 3.777 2.105 ( -5.358 0.000 -0.709) 5.404 2.211 ( -0.196 0.000 4.765) 4.769 2.229 ( -1.556 0.000 2.559) 2.995 2.352 ( -0.346 0.000 -2.712) 2.734 2.362 ( 4.411 0.000 0.185) 4.415 2.406 ( 3.762 0.000 -0.910) 3.871 2.427 ( 3.692 0.000 3.310) 4.959 2.534 ( 1.529 0.000 -1.310) 2.014 2.652 ( -4.011 0.000 -0.666) 4.066 2.676 ( 1.372 0.000 1.043) 1.723 2.775 ( -0.266 0.000 -1.553) 1.575 2.810 ( 3.865 0.000 1.389) 4.107 2.966 ( 5.309 0.000 -0.301) 5.318 3.030 ( 5.434 0.000 2.235) 5.876 3.129 ( 2.028 0.000 -0.546) 2.100 3.171 ( 1.815 0.000 3.692) 4.114 3.187 ( 6.191 0.000 -9.936) 11.708 3.375 ( -0.206 0.000 -4.173) 4.178 3.640 ( -2.311 0.000 -2.189) 3.183 3.726 ( -6.733 0.000 1.244) 6.846 4.498 ( -3.563 0.000 2.817) 4.542 4.538 ( 0.470 0.000 -1.900) 1.957 4.922 ( 5.635 0.000 -1.193) 5.760 4.929 ( 1.368 0.000 4.515) 4.718 5.116 ( -2.350 0.000 -0.875) 2.508 5.140 ( -3.868 0.000 -0.028) 3.868 5.645 ( 0.567 0.000 1.675) 1.768 5.647 ( 1.327 0.000 -0.066) 1.329 6.182 ( -0.963 0.000 -0.720) 1.202 6.259 ( 0.854 0.000 1.147) 1.430 6.467 ( 2.244 0.000 -3.086) 3.816 6.514 ( 1.667 0.000 -0.328) 1.699 6.590 ( 1.620 0.000 -3.210) 3.596 6.679 ( 0.276 0.000 5.484) 5.491 6.805 ( 3.009 0.000 4.421) 5.349 6.859 ( 10.298 0.000 -1.522) 10.410 7.258 ( 1.738 0.000 -0.241) 1.755 7.397 ( 7.932 0.000 -2.154) 8.219 7.692 ( 3.882 0.000 -0.599) 3.928 7.834 ( 3.893 0.000 0.264) 3.902 8.330 ( -0.181 0.000 0.422) 0.459 8.401 ( 3.432 0.000 1.867) 3.907 8.513 ( 1.706 0.000 2.967) 3.423 8.519 ( 5.007 0.000 -2.509) 5.600 8.647 ( -1.665 0.000 -3.447) 3.828 8.767 ( 4.843 0.000 -0.797) 4.909 8.840 ( -0.718 0.000 0.814) 1.085 8.922 ( 5.761 0.000 3.472) 6.726 9.079 ( 1.200 0.000 -1.771) 2.139 9.240 ( 1.769 0.000 -0.345) 1.802 9.310 ( -4.228 0.000 2.359) 4.841 9.419 ( -1.020 0.000 -2.974) 3.144 9.460 ( -3.618 0.000 1.392) 3.876 9.605 ( 2.543 0.000 -0.783) 2.661 9.825 ( -0.117 0.000 -0.863) 0.871 9.844 ( -4.809 0.000 3.239) 5.798 9.884 ( 3.295 0.000 0.965) 3.434 9.903 ( 4.486 0.000 -2.383) 5.079 10.216 ( 3.154 0.000 -1.855) 3.659 10.226 ( -0.348 0.000 1.655) 1.692 10.383 ( 3.048 0.000 -0.602) 3.107 10.399 ( 1.075 0.000 -0.777) 1.327======================= Grid point 134 (65/92) =======================q-point: (-0.11 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( 3.228 0.000 16.144) 16.464 0.648 ( -7.148 0.000 15.884) 17.418 1.054 ( -0.585 0.000 -3.207) 3.259 1.083 ( 1.878 0.000 -3.912) 4.340 1.122 ( -4.909 0.000 10.865) 11.922 1.313 ( -2.130 0.000 -2.395) 3.206 1.348 ( -4.096 0.000 -4.655) 6.201 1.410 ( 5.748 0.000 -4.561) 7.338 1.483 ( 1.819 0.000 -0.900) 2.029 1.542 ( -0.002 0.000 -1.006) 1.006 1.571 ( -7.935 0.000 12.482) 14.791 1.625 ( 1.319 0.000 -1.476) 1.979 1.722 ( 2.807 0.000 -1.111) 3.019 1.849 ( 2.788 0.000 1.140) 3.012 1.873 ( -0.139 0.000 2.019) 2.024 2.000 ( -0.736 0.000 -3.852) 3.921 2.012 ( -2.395 0.000 0.017) 2.395 2.229 ( -1.348 0.000 0.937) 1.641 2.246 ( -1.710 0.000 3.428) 3.831 2.323 ( -1.182 0.000 -0.259) 1.210 2.409 ( 1.869 0.000 -3.581) 4.039 2.448 ( 0.661 0.000 -0.494) 0.825 2.526 ( 2.773 0.000 2.834) 3.965 2.551 ( 1.161 0.000 1.610) 1.984 2.602 ( -1.150 0.000 -0.386) 1.213 2.660 ( -1.561 0.000 -4.172) 4.455 2.770 ( -0.540 0.000 2.138) 2.205 2.840 ( 1.598 0.000 -2.651) 3.095 2.999 ( -0.153 0.000 -0.197) 0.249 3.077 ( 0.793 0.000 -9.942) 9.973 3.145 ( 0.964 0.000 2.832) 2.991 3.215 ( 3.932 0.000 -3.133) 5.027 3.288 ( 8.037 0.000 3.570) 8.794 3.346 ( 3.306 0.000 -5.015) 6.006 3.578 ( -2.835 0.000 -1.383) 3.155 3.586 ( -9.193 0.000 -0.720) 9.221 4.490 ( -1.641 0.000 4.294) 4.597 4.564 ( 2.606 0.000 0.417) 2.639 4.990 ( 0.626 0.000 3.623) 3.676 5.005 ( 4.442 0.000 -0.476) 4.468 5.090 ( 0.972 0.000 -0.784) 1.249 5.093 ( -1.579 0.000 0.641) 1.704 5.670 ( 0.276 0.000 1.016) 1.053 5.677 ( 2.010 0.000 -0.189) 2.019 6.180 ( 0.504 0.000 1.282) 1.377 6.288 ( 3.531 0.000 -1.587) 3.871 6.445 ( -1.098 0.000 -2.479) 2.711 6.515 ( -1.221 0.000 -0.224) 1.242 6.613 ( 3.675 0.000 -1.770) 4.079 6.694 ( -2.512 0.000 1.957) 3.184 6.916 ( 2.515 0.000 6.141) 6.636 7.006 ( 7.558 0.000 -1.197) 7.652 7.275 ( -0.157 0.000 0.729) 0.746 7.456 ( 2.352 0.000 -4.692) 5.248 7.766 ( 3.428 0.000 1.754) 3.851 7.890 ( 2.193 0.000 -0.646) 2.286 8.341 ( 1.645 0.000 0.291) 1.671 8.460 ( -3.533 0.000 4.985) 6.110 8.560 ( -0.349 0.000 2.839) 2.860 8.570 ( 4.186 0.000 -2.639) 4.948 8.587 ( 2.386 0.000 -3.556) 4.282 8.805 ( -3.170 0.000 -1.539) 3.524 8.854 ( 4.572 0.000 1.063) 4.694 9.026 ( 1.209 0.000 -1.259) 1.746 9.089 ( 1.880 0.000 1.772) 2.584 9.243 ( 0.573 0.000 -2.626) 2.688 9.264 ( -3.409 0.000 3.058) 4.580 9.384 ( 0.219 0.000 -2.290) 2.301 9.409 ( -3.673 0.000 1.391) 3.927 9.649 ( 1.707 0.000 -4.073) 4.416 9.770 ( -1.966 0.000 -0.562) 2.045 9.790 ( -4.072 0.000 2.620) 4.842 9.947 ( 2.562 0.000 0.837) 2.695 9.963 ( 3.880 0.000 -1.619) 4.204 10.243 ( -0.234 0.000 1.857) 1.872 10.243 ( 2.379 0.000 -1.773) 2.967 10.411 ( 1.401 0.000 -0.872) 1.650 10.430 ( 2.820 0.000 -0.608) 2.885======================= Grid point 135 (66/92) =======================q-point: ( 0.00 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( -0.823 3.412 11.333) 11.864 0.837 ( 5.944 3.605 10.215) 12.356 1.003 ( 0.805 2.807 -3.598) 4.634 1.112 ( -4.243 3.787 -6.797) 8.863 1.209 ( -1.384 2.616 0.219) 2.967 1.250 ( -1.421 4.010 -2.801) 5.094 1.395 ( -2.220 8.251 3.530) 9.245 1.429 ( 2.640 2.175 -2.413) 4.186 1.516 ( -0.088 -0.930 0.985) 1.358 1.531 ( -1.619 1.650 0.760) 2.433 1.635 ( -2.819 3.254 5.741) 7.176 1.667 ( 0.912 1.952 0.608) 2.238 1.782 ( 1.509 1.305 2.682) 3.343 1.907 ( 2.626 1.012 -3.914) 4.820 1.931 ( 2.254 1.981 0.865) 3.122 1.979 ( -0.095 3.963 -1.241) 4.154 2.083 ( 4.691 2.335 5.336) 7.479 2.197 ( -4.298 0.767 -1.805) 4.725 2.211 ( 0.372 -0.169 1.575) 1.627 2.330 ( -1.480 1.807 -7.417) 7.776 2.380 ( 0.299 2.548 0.568) 2.628 2.419 ( -0.342 1.525 -1.959) 2.506 2.575 ( 0.327 0.701 1.673) 1.844 2.595 ( -1.191 2.335 -0.203) 2.628 2.613 ( -0.747 1.275 1.542) 2.136 2.653 ( 2.746 2.712 -0.870) 3.956 2.790 ( -1.183 1.676 1.708) 2.670 2.842 ( 0.257 1.506 -3.785) 4.082 2.928 ( -3.106 -3.808 0.503) 4.940 2.987 ( 3.177 -3.890 -4.650) 6.844 3.176 ( -1.131 -0.190 2.647) 2.884 3.226 ( 0.494 -0.180 -2.326) 2.385 3.396 ( -1.444 0.532 1.613) 2.229 3.416 ( 0.335 -0.351 -1.489) 1.566 3.434 ( -0.571 -1.343 0.183) 1.471 3.489 ( 2.507 -1.374 -3.316) 4.378 4.499 ( 1.957 -3.394 4.097) 5.669 4.561 ( -0.630 -2.355 -1.703) 2.973 5.025 ( -1.709 0.325 2.532) 3.072 5.049 ( 1.262 0.484 -0.067) 1.353 5.094 ( 0.971 0.695 1.362) 1.811 5.131 ( -0.699 1.179 -1.884) 2.330 5.664 ( 1.062 -2.013 1.271) 2.607 5.684 ( -0.670 -1.509 -0.914) 1.887 6.201 ( 1.255 -1.899 2.772) 3.587 6.274 ( -3.183 -3.994 -4.312) 6.684 6.457 ( 5.905 1.023 -0.422) 6.007 6.464 ( -4.740 -0.175 -0.801) 4.810 6.635 ( -3.591 -1.048 1.339) 3.973 6.650 ( 3.882 -1.935 -0.164) 4.340 6.986 ( -0.553 -1.546 4.261) 4.566 7.054 ( 0.397 -2.696 -2.596) 3.764 7.325 ( 0.630 3.739 2.759) 4.689 7.404 ( -0.879 3.134 -4.780) 5.783 7.838 ( -0.198 0.023 2.672) 2.680 7.882 ( -0.975 0.039 -1.507) 1.795 8.397 ( -1.933 1.231 1.713) 2.862 8.425 ( 2.649 1.586 -0.951) 3.231 8.583 ( -2.060 1.539 3.101) 4.028 8.635 ( 2.180 2.506 -1.659) 3.713 8.694 ( -0.052 2.451 0.815) 2.584 8.738 ( -0.423 3.875 -3.104) 4.983 8.937 ( 1.915 0.210 2.377) 3.060 8.992 ( -1.715 1.022 -3.051) 3.646 9.156 ( -0.167 -0.591 1.212) 1.358 9.173 ( -0.416 -2.648 -0.699) 2.770 9.278 ( 4.944 -1.300 3.983) 6.481 9.345 ( -5.067 -0.231 -2.336) 5.584 9.465 ( 1.844 2.964 0.950) 3.618 9.504 ( -7.170 1.431 -2.833) 7.841 9.752 ( -1.405 -1.775 1.622) 2.785 9.776 ( 1.481 -1.870 -0.645) 2.471 9.971 ( -0.480 -0.400 0.323) 0.704 9.978 ( 0.015 -1.413 -0.508) 1.502 10.179 ( -2.800 -4.689 2.062) 5.838 10.221 ( 2.138 -4.313 -2.123) 5.261 10.459 ( -1.580 1.669 0.332) 2.322 10.469 ( 0.981 1.957 -0.613) 2.274======================= Grid point 136 (67/92) =======================q-point: ( 0.11 0.14 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( -5.577 2.983 -2.824) 6.927 0.920 ( -1.078 0.741 0.461) 1.388 0.941 ( 0.275 5.239 -8.256) 9.782 1.081 ( 0.885 7.191 8.158) 10.911 1.195 ( -1.811 2.343 1.819) 3.476 1.263 ( 2.416 2.421 2.308) 4.126 1.384 ( 0.098 3.192 0.589) 3.248 1.451 ( 1.748 5.974 -2.101) 6.570 1.496 ( -0.768 0.760 1.403) 1.771 1.579 ( 0.404 6.527 1.014) 6.617 1.610 ( -0.321 0.617 0.322) 0.767 1.709 ( -0.771 1.432 2.360) 2.866 1.840 ( 4.245 -1.506 -0.477) 4.529 1.879 ( -3.334 0.685 -2.826) 4.424 1.947 ( -1.646 3.319 0.099) 3.706 1.962 ( 5.820 2.913 -5.695) 8.649 2.082 ( -0.674 2.387 -4.601) 5.227 2.192 ( -1.487 -0.468 0.593) 1.668 2.278 ( 2.423 -0.535 6.526) 6.982 2.316 ( 5.086 0.503 -3.813) 6.376 2.385 ( 0.120 2.712 1.557) 3.130 2.411 ( -0.044 2.912 1.044) 3.094 2.552 ( -2.527 1.536 0.293) 2.971 2.577 ( -2.056 2.561 1.394) 3.568 2.624 ( 0.834 0.746 0.005) 1.119 2.688 ( 3.104 3.259 -4.072) 6.069 2.787 ( -1.866 1.988 3.654) 4.559 2.814 ( -0.814 0.464 -1.174) 1.502 2.887 ( -2.767 -2.698 3.620) 5.295 3.001 ( 2.298 -3.693 -3.464) 5.560 3.162 ( -3.857 -1.283 1.871) 4.474 3.215 ( -0.029 -0.038 0.165) 0.172 3.278 ( -5.711 3.286 1.068) 6.674 3.330 ( -6.981 -1.717 -1.792) 7.409 3.514 ( 4.906 -2.863 0.012) 5.681 3.578 ( 6.482 -0.514 -0.232) 6.506 4.524 ( -0.948 -2.869 -2.048) 3.650 4.545 ( -0.545 -2.178 1.257) 2.573 4.979 ( -4.865 -0.375 0.849) 4.953 5.053 ( 0.995 1.311 -1.398) 2.160 5.081 ( -1.457 0.122 0.004) 1.462 5.128 ( 0.963 1.428 0.762) 1.883 5.647 ( -1.608 -2.932 -0.629) 3.403 5.664 ( -1.453 -1.843 0.462) 2.392 6.181 ( -3.139 -3.465 -1.576) 4.934 6.248 ( 1.695 -0.595 3.068) 3.555 6.395 ( -1.289 -1.176 -1.636) 2.392 6.499 ( 0.038 -0.351 -0.049) 0.356 6.578 ( -3.150 -2.637 0.459) 4.134 6.720 ( 3.727 0.902 -1.177) 4.012 6.958 ( -5.308 -1.299 1.780) 5.747 7.009 ( -2.263 -2.078 -1.732) 3.526 7.353 ( -2.781 1.852 1.098) 3.517 7.379 ( 0.235 3.558 -1.051) 3.718 7.798 ( -5.799 0.000 0.253) 5.804 7.841 ( -4.096 -0.241 2.339) 4.723 8.362 ( -0.556 2.017 -0.121) 2.096 8.513 ( 1.411 0.920 0.901) 1.910 8.547 ( -0.765 1.784 1.831) 2.668 8.598 ( -4.051 1.401 -3.281) 5.398 8.640 ( -0.908 3.056 -1.379) 3.474 8.810 ( 4.308 2.206 -0.387) 4.855 8.908 ( -3.774 1.670 -3.114) 5.170 8.982 ( -0.085 -0.571 2.461) 2.528 9.143 ( -2.131 0.804 -1.273) 2.609 9.169 ( 0.245 -0.617 1.591) 1.724 9.262 ( 2.078 -3.837 -1.336) 4.563 9.377 ( 1.981 1.233 0.122) 2.337 9.490 ( 3.005 2.702 -1.680) 4.377 9.547 ( 0.841 -0.949 4.177) 4.366 9.749 ( 1.159 -1.384 0.419) 1.853 9.825 ( 5.980 -1.352 -1.777) 6.383 9.930 ( -3.007 -0.535 -0.117) 3.056 9.968 ( -2.064 0.117 0.601) 2.152 10.133 ( -2.586 -5.157 0.834) 5.829 10.237 ( 0.391 -4.362 -0.652) 4.428 10.409 ( -2.320 2.079 -0.159) 3.119 10.468 ( -1.410 2.347 0.125) 2.741======================= Grid point 137 (68/92) =======================q-point: ( 0.22 0.14 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( 8.290 7.622 -3.088) 11.677 0.928 ( 2.734 2.038 0.723) 3.486 0.954 ( 4.844 2.056 -2.325) 5.753 1.133 ( -0.668 3.986 2.611) 4.811 1.191 ( -1.014 1.977 2.853) 3.616 1.323 ( 1.545 1.488 2.637) 3.399 1.387 ( -0.029 3.337 -3.202) 4.625 1.479 ( 1.781 5.028 0.634) 5.372 1.537 ( 1.197 5.835 -0.126) 5.958 1.543 ( -0.912 3.378 4.091) 5.383 1.623 ( 0.774 2.318 -0.960) 2.625 1.685 ( -2.912 5.486 1.306) 6.347 1.794 ( -2.457 -0.764 -1.479) 2.968 1.869 ( 0.481 1.338 -4.843) 5.048 1.953 ( 2.737 5.671 -3.479) 7.194 2.005 ( 5.617 -3.131 0.270) 6.437 2.124 ( 6.065 0.622 -1.388) 6.253 2.197 ( 1.148 -2.897 0.060) 3.117 2.301 ( -1.877 0.307 2.552) 3.183 2.331 ( 0.474 -0.975 -2.894) 3.090 2.369 ( -1.378 5.134 0.140) 5.318 2.424 ( -2.528 1.447 0.838) 3.031 2.500 ( -2.790 0.614 -2.840) 4.029 2.559 ( -2.215 3.799 0.585) 4.436 2.625 ( -1.202 -0.449 0.120) 1.289 2.693 ( 2.626 1.253 -0.772) 3.010 2.768 ( -1.781 0.642 -1.383) 2.345 2.800 ( -2.377 1.838 3.569) 4.666 2.952 ( 0.986 -2.319 6.653) 7.114 2.978 ( -0.688 -3.340 -2.883) 4.466 3.094 ( -4.777 0.193 -0.291) 4.790 3.183 ( -4.901 3.454 -1.321) 6.140 3.199 ( -2.598 -2.278 -1.540) 3.783 3.274 ( 0.950 2.316 5.475) 6.020 3.566 ( 1.442 -3.891 0.531) 4.183 3.702 ( 6.304 -2.351 0.762) 6.771 4.494 ( -0.155 -1.777 -1.273) 2.191 4.546 ( 0.962 -1.827 -0.975) 2.283 4.898 ( -4.642 -0.381 -0.127) 4.659 5.026 ( -0.923 1.136 -1.995) 2.474 5.109 ( 2.612 1.322 1.203) 3.166 5.166 ( 2.616 2.799 0.263) 3.840 5.612 ( -1.059 -4.626 -1.027) 4.855 5.642 ( -0.926 -2.191 0.080) 2.380 6.136 ( -1.018 -3.448 0.085) 3.596 6.303 ( 0.741 0.987 0.968) 1.569 6.349 ( -3.029 -3.817 1.390) 5.068 6.483 ( -1.387 0.006 -0.154) 1.395 6.545 ( -1.104 -3.905 0.654) 4.110 6.733 ( -0.699 0.598 -2.558) 2.718 6.843 ( -6.952 0.154 -1.252) 7.066 6.941 ( -4.281 1.310 -0.522) 4.508 7.285 ( -4.188 0.546 -0.597) 4.265 7.352 ( -3.928 1.753 0.820) 4.379 7.672 ( -8.424 0.183 1.217) 8.513 7.791 ( -4.647 -0.323 3.246) 5.678 8.372 ( 1.452 2.516 -0.683) 2.984 8.430 ( -6.768 0.334 -0.557) 6.799 8.494 ( -5.342 2.683 1.155) 6.089 8.588 ( -3.796 4.948 0.943) 6.307 8.629 ( 4.951 -0.912 -1.860) 5.367 8.770 ( -6.242 0.522 -1.125) 6.364 8.882 ( 2.248 0.795 -1.599) 2.871 8.978 ( -1.737 -0.170 0.155) 1.752 9.075 ( -3.122 2.640 -1.187) 4.258 9.191 ( -0.022 -0.853 1.723) 1.922 9.303 ( 3.147 -3.525 -0.232) 4.731 9.388 ( 0.156 0.242 -0.343) 0.447 9.526 ( 2.711 1.607 -2.140) 3.809 9.554 ( -2.018 -2.001 3.060) 4.176 9.793 ( 1.396 -1.168 1.141) 2.148 9.864 ( -2.977 1.314 0.563) 3.303 9.906 ( 3.845 -1.467 -2.977) 5.079 9.923 ( -3.386 1.795 0.671) 3.891 10.099 ( -2.234 -5.545 1.181) 6.093 10.225 ( -0.891 -4.258 -0.514) 4.381 10.364 ( -2.525 1.441 -0.128) 2.910 10.437 ( -2.129 2.075 0.269) 2.985======================= Grid point 138 (69/92) =======================q-point: ( 0.33 0.14 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( 3.770 3.341 3.713) 6.258 1.021 ( 5.134 4.468 1.806) 7.042 1.037 ( 6.349 0.420 -3.559) 7.291 1.134 ( -0.864 -0.096 0.999) 1.325 1.249 ( 5.678 2.693 2.571) 6.790 1.321 ( -1.653 2.193 -3.058) 4.110 1.399 ( 4.180 1.086 2.725) 5.107 1.485 ( -1.456 1.465 -0.793) 2.212 1.547 ( 2.210 3.312 -0.289) 3.992 1.591 ( 1.035 4.776 0.682) 4.934 1.658 ( 1.039 6.429 2.947) 7.148 1.674 ( -0.530 5.232 2.048) 5.644 1.758 ( -0.263 0.684 -0.598) 0.946 1.827 ( -0.623 0.607 -1.296) 1.560 1.931 ( -0.272 3.577 -2.574) 4.416 2.099 ( 1.802 -1.026 -0.777) 2.214 2.198 ( 4.692 -1.937 -1.724) 5.361 2.214 ( -1.201 0.636 -1.025) 1.702 2.298 ( 0.785 0.333 0.818) 1.182 2.304 ( 1.022 -0.552 -1.701) 2.060 2.339 ( -2.495 1.637 -0.793) 3.088 2.395 ( -2.160 3.919 1.670) 4.777 2.438 ( 0.581 2.382 -1.624) 2.941 2.509 ( -3.042 2.071 0.873) 3.782 2.614 ( 0.489 -1.180 -0.394) 1.337 2.706 ( -3.197 -2.674 1.339) 4.377 2.744 ( 0.006 3.710 -0.213) 3.716 2.777 ( -3.830 1.136 1.151) 4.158 2.928 ( -2.913 -1.623 -2.020) 3.899 2.944 ( 0.528 -1.738 -1.850) 2.593 3.032 ( -1.767 4.126 1.619) 4.771 3.125 ( -2.514 1.214 -1.334) 3.094 3.141 ( -2.439 -1.986 -0.648) 3.211 3.364 ( 1.266 2.371 3.344) 4.290 3.600 ( 1.198 -5.036 2.721) 5.848 3.793 ( 3.745 -4.026 -0.675) 5.540 4.500 ( 0.655 -0.618 1.431) 1.691 4.564 ( 2.291 -2.669 -1.311) 3.754 4.824 ( -3.589 1.596 0.673) 3.985 4.981 ( -1.051 3.079 -3.424) 4.723 5.173 ( 3.075 0.248 0.191) 3.091 5.209 ( 0.880 2.848 1.114) 3.183 5.605 ( 1.712 -3.961 -0.930) 4.415 5.639 ( 0.756 -2.205 -0.461) 2.376 6.147 ( 1.841 -5.113 0.630) 5.470 6.290 ( -1.500 2.029 1.007) 2.717 6.325 ( -2.939 -5.517 1.900) 6.533 6.455 ( -1.276 -0.024 -0.690) 1.451 6.550 ( 0.239 -3.273 0.939) 3.413 6.640 ( -6.549 1.103 -0.310) 6.649 6.720 ( -4.309 1.018 -3.298) 5.521 6.851 ( -5.166 3.575 -0.947) 6.354 7.191 ( -6.117 -2.977 0.198) 6.806 7.266 ( -4.429 1.437 -2.706) 5.385 7.568 ( -5.750 -1.764 4.544) 7.538 7.749 ( -3.417 0.789 1.983) 4.029 8.301 ( -5.848 1.422 0.602) 6.048 8.379 ( -1.450 1.939 -0.805) 2.551 8.451 ( -0.857 3.292 1.275) 3.633 8.528 ( -4.128 5.797 1.482) 7.269 8.635 ( -4.370 -1.582 -1.005) 4.755 8.694 ( 0.889 0.301 -0.864) 1.276 8.879 ( -0.550 -0.003 -1.542) 1.637 8.949 ( 1.204 3.837 -3.676) 5.448 9.032 ( -1.699 0.249 1.455) 2.251 9.196 ( -0.734 -0.802 0.266) 1.119 9.354 ( 2.089 -3.233 0.256) 3.857 9.391 ( 0.872 -2.547 -0.475) 2.734 9.522 ( 0.238 -1.396 -0.355) 1.460 9.591 ( 2.077 -0.459 0.895) 2.308 9.796 ( -1.866 -0.315 1.031) 2.155 9.811 ( -2.759 1.714 -0.439) 3.278 9.874 ( -2.437 2.568 0.508) 3.576 9.933 ( 1.898 -0.799 -2.413) 3.172 10.085 ( -1.299 -3.892 2.109) 4.614 10.199 ( -1.285 -4.325 -0.591) 4.550 10.328 ( -1.301 0.460 0.110) 1.384 10.402 ( -2.206 1.319 0.340) 2.593======================= Grid point 139 (70/92) =======================q-point: ( 0.44 0.14 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -1.107 1.703 5.021) 5.416 1.044 ( -0.254 3.192 -3.525) 4.762 1.081 ( -0.817 3.788 2.806) 4.784 1.141 ( 3.303 -0.829 -3.262) 4.715 1.288 ( 2.168 2.122 -0.956) 3.181 1.378 ( -3.259 0.160 -1.160) 3.463 1.441 ( 1.853 1.105 3.174) 3.838 1.500 ( 2.590 0.445 1.702) 3.131 1.565 ( 2.289 3.617 -1.418) 4.509 1.630 ( -2.116 1.756 -0.875) 2.885 1.672 ( 2.863 2.966 2.776) 4.970 1.717 ( 1.244 6.247 2.183) 6.734 1.758 ( -0.243 2.271 0.783) 2.415 1.831 ( 1.759 1.254 -3.603) 4.201 1.935 ( 2.487 3.149 2.182) 4.568 2.088 ( -0.751 2.435 -0.224) 2.558 2.126 ( -5.790 3.068 2.299) 6.944 2.253 ( 3.202 1.464 -5.100) 6.197 2.268 ( -2.211 -2.747 -1.255) 3.743 2.294 ( -1.365 -3.261 -0.345) 3.552 2.362 ( -0.807 3.965 2.010) 4.518 2.390 ( 4.209 1.065 1.435) 4.573 2.450 ( -1.431 1.144 0.395) 1.874 2.507 ( 0.894 0.184 0.487) 1.034 2.587 ( -2.600 -0.350 -2.832) 3.860 2.634 ( -1.796 2.526 -2.778) 4.163 2.714 ( -1.047 -0.650 2.523) 2.808 2.764 ( -0.080 -0.692 0.834) 1.087 2.924 ( 1.294 -1.158 1.659) 2.402 2.976 ( 1.144 -0.344 2.876) 3.114 3.038 ( -0.115 2.250 -2.187) 3.140 3.067 ( -0.220 2.559 -0.715) 2.666 3.101 ( 2.738 0.185 -2.320) 3.593 3.314 ( -7.336 3.033 -2.752) 8.402 3.673 ( 1.771 -5.348 4.980) 7.519 3.816 ( 0.747 -4.749 -2.603) 5.467 4.534 ( -0.052 -0.312 3.187) 3.202 4.588 ( 2.044 -3.386 -1.645) 4.283 4.800 ( -0.929 3.292 2.328) 4.137 4.923 ( -0.345 3.911 -4.862) 6.249 5.206 ( -0.171 0.026 0.752) 0.772 5.217 ( -0.198 1.308 0.547) 1.431 5.635 ( 1.484 -1.527 -0.176) 2.137 5.655 ( 1.461 -2.379 -1.004) 2.966 6.207 ( 3.457 -6.716 0.778) 7.594 6.274 ( -4.024 -5.734 1.208) 7.108 6.303 ( 0.999 1.422 2.039) 2.679 6.421 ( -1.224 1.057 -1.948) 2.531 6.528 ( -2.827 0.243 1.455) 3.189 6.591 ( -0.003 0.440 -1.188) 1.267 6.638 ( -0.451 1.766 -0.347) 1.855 6.744 ( -4.784 1.864 -1.720) 5.415 7.104 ( -3.159 -3.491 0.372) 4.723 7.162 ( -2.356 -0.289 -4.053) 4.697 7.573 ( -0.693 -3.039 6.235) 6.971 7.708 ( -2.196 0.745 -0.518) 2.376 8.252 ( -1.498 2.558 2.433) 3.835 8.335 ( -1.060 0.954 -2.003) 2.459 8.443 ( -2.631 4.364 2.072) 5.501 8.500 ( 0.853 6.592 -1.961) 6.930 8.564 ( -4.267 -0.288 4.622) 6.297 8.693 ( 1.656 -0.919 -4.257) 4.659 8.862 ( -0.005 0.880 -0.115) 0.888 8.930 ( 1.098 3.789 -4.234) 5.786 9.050 ( 0.594 -0.360 3.265) 3.338 9.169 ( -1.154 -0.456 -2.103) 2.441 9.370 ( -1.427 -3.224 1.841) 3.978 9.406 ( 2.119 -3.558 -1.870) 4.543 9.546 ( 0.889 -2.702 1.758) 3.344 9.610 ( 0.440 -2.381 -1.426) 2.810 9.773 ( -1.163 0.977 0.341) 1.557 9.778 ( -0.599 0.724 0.149) 0.952 9.856 ( 0.423 3.773 0.213) 3.802 9.910 ( -2.212 1.369 -1.256) 2.889 10.103 ( 0.839 -3.499 2.023) 4.128 10.170 ( -1.092 -4.055 -1.024) 4.323 10.328 ( 0.916 -0.207 0.499) 1.063 10.367 ( -1.877 0.398 -0.067) 1.920======================= Grid point 140 (71/92) =======================q-point: (-0.44 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( -2.041 2.850 5.078) 6.170 0.993 ( -2.354 3.081 -1.174) 4.051 1.084 ( -1.218 2.756 1.375) 3.313 1.154 ( 1.926 0.677 -3.036) 3.659 1.271 ( -5.121 2.000 0.171) 5.501 1.346 ( 2.469 0.763 1.391) 2.934 1.482 ( -2.117 2.380 1.086) 3.365 1.512 ( 0.181 0.545 -0.217) 0.614 1.562 ( -3.413 -0.323 -1.201) 3.632 1.605 ( 0.994 1.081 0.804) 1.674 1.728 ( -0.505 0.122 2.273) 2.332 1.743 ( 0.892 6.921 -2.043) 7.271 1.765 ( 0.704 4.565 -1.093) 4.746 1.795 ( 1.307 2.405 -2.478) 3.692 2.004 ( -4.254 4.634 -3.183) 7.050 2.038 ( 2.193 3.009 4.056) 5.506 2.142 ( -2.151 2.632 4.999) 6.045 2.181 ( -1.474 -2.446 -2.572) 3.843 2.250 ( 0.348 -3.383 0.563) 3.447 2.292 ( 2.087 -2.579 -0.652) 3.381 2.377 ( -4.429 1.568 0.629) 4.740 2.441 ( 1.598 4.989 0.006) 5.239 2.450 ( -0.213 2.247 -0.181) 2.264 2.472 ( 2.963 2.652 0.228) 3.984 2.584 ( -1.133 -0.175 -1.756) 2.097 2.602 ( 2.549 0.766 0.706) 2.754 2.743 ( 1.693 -2.061 1.073) 2.875 2.780 ( 2.839 -1.194 -1.999) 3.672 2.963 ( -1.170 -1.640 1.084) 2.288 2.977 ( -1.642 0.347 -1.860) 2.505 3.034 ( 3.254 0.306 2.640) 4.201 3.057 ( -0.726 -1.353 -2.508) 2.941 3.110 ( -5.791 5.069 -3.381) 8.406 3.255 ( 8.888 3.751 2.692) 10.015 3.739 ( -0.404 -4.871 4.707) 6.786 3.767 ( -2.199 -4.748 -3.913) 6.534 4.549 ( -1.751 -1.416 2.045) 3.042 4.596 ( 0.982 -2.369 -2.410) 3.519 4.831 ( 0.608 3.555 3.612) 5.104 4.876 ( 1.204 3.460 -4.888) 6.109 5.187 ( -2.619 0.415 2.000) 3.321 5.230 ( 0.572 0.109 0.004) 0.583 5.637 ( -1.479 -1.676 -0.216) 2.245 5.651 ( -0.534 -1.618 -0.774) 1.871 6.192 ( -4.576 -5.263 1.492) 7.132 6.294 ( 3.964 -7.131 -0.155) 8.160 6.349 ( -0.580 1.336 0.055) 1.458 6.385 ( 2.227 1.469 -0.605) 2.736 6.540 ( 1.329 2.202 2.280) 3.436 6.579 ( 2.890 -0.828 -3.210) 4.398 6.643 ( -2.162 0.597 0.720) 2.356 6.728 ( 5.646 3.369 -0.525) 6.595 7.109 ( 2.943 -2.635 1.119) 4.105 7.131 ( 3.264 -1.680 -2.421) 4.397 7.643 ( 0.609 -1.671 3.892) 4.279 7.672 ( 0.952 -1.220 -1.389) 2.080 8.285 ( 1.634 1.870 1.491) 2.897 8.320 ( 3.000 1.483 -2.766) 4.342 8.431 ( -1.498 4.517 2.914) 5.580 8.489 ( 0.461 4.680 -0.293) 4.712 8.594 ( 1.032 2.557 4.048) 4.898 8.675 ( 2.645 -1.632 -5.237) 6.090 8.857 ( -1.868 1.700 1.571) 2.974 8.911 ( 1.702 3.214 -3.654) 5.155 9.102 ( 0.421 -0.783 2.985) 3.114 9.120 ( -0.433 -0.159 -2.389) 2.433 9.357 ( -2.250 -2.456 2.318) 4.057 9.422 ( 1.940 -4.300 -2.363) 5.276 9.531 ( -4.200 -2.512 2.084) 5.320 9.629 ( 3.212 -2.366 -2.070) 4.494 9.774 ( 0.986 0.418 0.064) 1.073 9.782 ( 0.849 0.141 -0.141) 0.872 9.856 ( -2.006 3.324 0.235) 3.889 9.885 ( 1.191 2.879 1.015) 3.276 10.128 ( -0.731 -4.239 0.443) 4.324 10.159 ( 2.087 -3.444 -0.762) 4.099 10.337 ( -0.825 0.037 -0.327) 0.889 10.365 ( 2.303 0.083 0.173) 2.311======================= Grid point 141 (72/92) =======================q-point: (-0.33 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( -5.812 5.950 -1.262) 8.413 0.928 ( -8.189 3.097 5.757) 10.478 1.057 ( -3.420 1.613 0.553) 3.821 1.168 ( 1.854 1.967 -2.217) 3.496 1.226 ( -0.428 2.811 2.819) 4.003 1.314 ( -4.887 -0.404 -1.635) 5.169 1.436 ( -2.271 2.227 -0.904) 3.306 1.500 ( -1.571 -2.532 -0.796) 3.085 1.534 ( 1.286 1.745 0.890) 2.343 1.599 ( -1.194 1.676 -0.650) 2.158 1.712 ( -2.912 7.442 -1.520) 8.135 1.728 ( -1.250 3.973 0.178) 4.169 1.746 ( 2.187 2.965 -1.891) 4.141 1.824 ( -0.191 1.992 -1.850) 2.725 1.899 ( -2.755 4.761 -0.895) 5.573 2.064 ( -1.393 -0.927 2.695) 3.172 2.127 ( -2.909 1.619 3.105) 4.552 2.188 ( -0.160 -0.692 1.687) 1.830 2.273 ( -2.033 -0.622 0.772) 2.261 2.317 ( 1.531 -0.884 1.246) 2.163 2.336 ( 1.534 -1.689 -1.040) 2.507 2.411 ( -0.533 4.549 -0.386) 4.596 2.443 ( -0.142 4.292 -1.916) 4.702 2.540 ( 2.969 2.956 -1.773) 4.549 2.597 ( 1.496 -1.616 1.857) 2.880 2.694 ( 6.550 2.511 1.792) 7.240 2.761 ( 1.330 -2.144 -2.398) 3.481 2.829 ( -8.219 5.867 0.763) 10.127 2.842 ( 4.907 -1.989 -0.087) 5.296 2.950 ( 1.130 -2.847 -1.192) 3.287 3.053 ( 0.519 -1.146 3.095) 3.341 3.115 ( 4.407 1.198 -0.613) 4.607 3.149 ( 7.000 -0.211 -3.129) 7.670 3.386 ( 2.566 1.411 1.035) 3.106 3.672 ( -3.110 -4.477 -3.744) 6.613 3.755 ( -2.718 -3.956 3.036) 5.679 4.512 ( -3.578 -2.483 0.545) 4.389 4.571 ( -0.743 -1.253 -2.255) 2.684 4.862 ( 2.374 1.690 -2.218) 3.662 4.900 ( 2.268 3.846 3.065) 5.416 5.163 ( -2.252 0.061 1.213) 2.559 5.219 ( -2.418 1.091 0.398) 2.682 5.596 ( -1.951 -3.220 -0.134) 3.768 5.632 ( -0.645 -1.647 0.058) 1.770 6.145 ( -1.827 -4.063 0.542) 4.488 6.318 ( 0.011 3.430 -0.807) 3.523 6.358 ( 3.846 -6.974 -1.435) 8.092 6.449 ( 3.201 -0.988 -0.248) 3.359 6.572 ( 0.143 -2.746 -1.135) 2.975 6.614 ( 2.080 1.040 2.950) 3.756 6.678 ( 5.663 1.441 -0.333) 5.853 6.840 ( 6.614 5.923 0.178) 8.880 7.185 ( 4.369 -1.722 0.359) 4.710 7.240 ( 9.176 -0.783 -0.105) 9.210 7.647 ( 2.442 -1.062 -2.553) 3.689 7.743 ( 3.240 -1.361 2.503) 4.314 8.322 ( 3.250 0.487 -0.952) 3.421 8.369 ( 2.506 3.066 -0.520) 3.994 8.457 ( 2.371 2.258 1.350) 3.542 8.517 ( 0.736 5.021 2.144) 5.509 8.644 ( 3.333 -1.053 -2.039) 4.047 8.700 ( 3.629 0.419 -1.152) 3.830 8.856 ( 0.585 2.713 2.593) 3.798 8.899 ( -0.263 4.109 -1.620) 4.425 9.077 ( 0.668 -0.472 -2.550) 2.678 9.166 ( 1.240 -1.873 2.928) 3.690 9.336 ( -2.741 -1.735 1.391) 3.530 9.412 ( -0.476 -4.824 -1.431) 5.054 9.496 ( -1.428 -0.454 1.189) 1.913 9.631 ( -0.559 0.022 -1.999) 2.076 9.793 ( 0.937 -0.573 0.972) 1.467 9.817 ( 3.425 0.420 -0.740) 3.529 9.868 ( 1.413 1.780 1.215) 2.577 9.899 ( -0.392 1.597 0.627) 1.760 10.116 ( -0.204 -4.735 -0.703) 4.791 10.194 ( 2.118 -3.993 -0.261) 4.528 10.336 ( 1.383 0.668 -0.606) 1.651 10.408 ( 2.431 0.987 -0.153) 2.628======================= Grid point 142 (73/92) =======================q-point: (-0.22 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( -16.202 8.618 -1.771) 18.436 0.801 ( -11.184 8.287 7.209) 15.676 1.026 ( 1.392 -0.929 -2.377) 2.908 1.159 ( 0.389 3.864 -1.286) 4.091 1.240 ( -0.492 1.034 -1.791) 2.126 1.305 ( 1.047 2.144 4.209) 4.838 1.388 ( -0.584 -0.478 -2.522) 2.632 1.494 ( 0.051 4.109 0.508) 4.140 1.537 ( 0.820 3.546 -0.687) 3.704 1.602 ( -0.147 2.701 1.271) 2.989 1.616 ( -6.776 6.536 2.086) 9.642 1.687 ( -4.895 4.422 -0.160) 6.598 1.739 ( -2.030 1.595 1.291) 2.887 1.790 ( 3.348 2.856 -2.210) 4.925 1.919 ( 1.726 5.763 0.792) 6.068 2.018 ( -4.932 -3.159 -0.484) 5.877 2.119 ( -2.814 0.545 -0.774) 2.969 2.161 ( -1.293 -2.377 3.316) 4.280 2.278 ( -0.514 1.096 2.456) 2.738 2.340 ( 3.047 -0.331 -0.864) 3.185 2.375 ( 0.653 2.736 -0.585) 2.873 2.427 ( 1.645 1.330 1.471) 2.576 2.460 ( 3.544 2.547 -0.493) 4.392 2.568 ( 1.804 3.667 -0.736) 4.152 2.628 ( 0.750 -0.716 -0.084) 1.040 2.704 ( -3.069 1.898 0.214) 3.615 2.758 ( 0.967 -0.897 -1.017) 1.665 2.843 ( 2.609 2.534 0.568) 3.681 2.935 ( 3.971 -3.212 0.115) 5.109 2.995 ( 4.847 -3.142 0.535) 5.802 3.099 ( 1.067 -3.057 2.739) 4.241 3.185 ( 3.791 0.649 0.118) 3.848 3.215 ( 6.336 2.475 -6.240) 9.231 3.367 ( -1.710 0.240 -3.324) 3.746 3.598 ( -1.958 -4.202 -2.226) 5.143 3.704 ( -5.401 -2.267 0.655) 5.894 4.460 ( -2.948 -2.788 1.602) 4.362 4.541 ( -0.344 -0.910 -0.470) 1.080 4.901 ( 3.452 -0.424 -0.348) 3.495 4.969 ( 1.479 2.838 2.955) 4.356 5.129 ( -1.578 1.196 -0.706) 2.102 5.163 ( -3.724 1.981 0.663) 4.270 5.590 ( 0.688 -4.783 1.026) 4.940 5.640 ( 1.237 -1.378 0.196) 1.862 6.135 ( 0.190 -2.607 0.083) 2.615 6.328 ( 1.779 3.954 -1.194) 4.497 6.396 ( 2.296 -5.985 -2.509) 6.883 6.484 ( 1.689 -1.883 -0.695) 2.623 6.560 ( 0.546 -4.983 -0.982) 5.108 6.676 ( 0.300 0.593 3.506) 3.569 6.793 ( 5.498 1.235 2.466) 6.151 6.950 ( 6.042 4.694 -0.811) 7.694 7.261 ( 3.336 1.250 0.833) 3.659 7.389 ( 7.702 -0.178 -1.940) 7.945 7.696 ( 4.926 0.209 -0.735) 4.985 7.820 ( 3.772 -1.147 0.509) 3.975 8.361 ( -0.018 2.782 0.182) 2.788 8.408 ( 3.493 0.880 1.451) 3.883 8.530 ( 4.668 1.845 -0.946) 5.108 8.537 ( -0.780 0.747 1.986) 2.261 8.665 ( 1.003 2.914 -2.550) 4.000 8.760 ( 4.823 -0.317 -0.364) 4.847 8.870 ( -1.310 2.470 -0.695) 2.881 8.946 ( 5.068 2.301 2.862) 6.258 9.082 ( 1.912 0.671 -1.534) 2.542 9.201 ( 0.227 -3.643 1.039) 3.795 9.284 ( -4.281 -1.777 0.761) 4.698 9.400 ( 0.451 -1.721 -0.881) 1.985 9.489 ( -1.422 1.798 1.378) 2.674 9.606 ( 1.305 -0.485 -1.904) 2.359 9.797 ( -2.536 -2.165 1.187) 3.540 9.870 ( -2.057 2.019 0.333) 2.901 9.876 ( 3.667 -0.045 -0.951) 3.789 9.928 ( 3.102 1.466 0.133) 3.433 10.113 ( 0.702 -6.082 -0.076) 6.123 10.224 ( 1.440 -4.301 -0.382) 4.551 10.368 ( 2.664 1.503 -0.473) 3.095 10.445 ( 2.062 1.772 -0.381) 2.745======================= Grid point 143 (74/92) =======================q-point: (-0.11 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.552 ( 0.945 8.862 11.054) 14.199 0.745 ( -5.530 9.514 10.622) 15.294 1.026 ( 2.851 -0.228 -5.611) 6.298 1.155 ( 0.281 3.501 -0.750) 3.592 1.226 ( 0.122 3.319 -0.813) 3.420 1.329 ( -2.750 4.719 1.931) 5.793 1.372 ( 1.625 0.478 -1.550) 2.296 1.459 ( -2.201 8.121 -3.221) 9.010 1.539 ( -3.443 1.991 1.064) 4.117 1.551 ( -2.374 1.117 3.399) 4.294 1.626 ( 2.456 0.907 -1.504) 3.019 1.628 ( -5.108 6.229 9.315) 12.315 1.757 ( 1.910 3.599 -1.158) 4.235 1.837 ( 3.455 0.265 1.215) 3.672 1.922 ( -0.679 2.748 -0.623) 2.899 1.972 ( 0.489 1.246 -0.819) 1.569 2.049 ( -1.247 1.661 -1.266) 2.433 2.185 ( -0.100 -1.514 1.610) 2.213 2.270 ( -2.532 0.356 0.629) 2.633 2.370 ( 0.348 2.863 -0.103) 2.886 2.390 ( 1.753 0.671 -1.765) 2.576 2.447 ( -0.299 -0.092 -0.380) 0.492 2.529 ( 2.829 0.169 1.347) 3.138 2.589 ( 0.322 3.094 1.353) 3.392 2.629 ( -1.069 3.050 0.567) 3.281 2.651 ( -0.758 -0.312 -2.949) 3.061 2.781 ( 0.533 1.384 1.557) 2.150 2.863 ( 1.278 1.945 -2.198) 3.201 2.961 ( -0.360 -3.930 -0.075) 3.948 3.017 ( 0.460 -4.059 -6.097) 7.339 3.149 ( 0.782 -2.744 2.993) 4.135 3.241 ( 2.801 2.364 -4.538) 5.834 3.296 ( 8.054 1.624 0.836) 8.258 3.333 ( 3.046 -0.807 -2.642) 4.112 3.538 ( -2.969 -3.668 -1.960) 5.110 3.583 ( -7.653 -0.282 -0.747) 7.695 4.453 ( -1.225 -3.188 3.862) 5.155 4.560 ( 1.723 -1.314 0.454) 2.214 4.970 ( 3.461 -1.639 1.887) 4.270 5.011 ( 0.767 1.369 1.713) 2.323 5.096 ( -0.885 1.355 -0.873) 1.839 5.137 ( 0.372 2.669 -0.199) 2.702 5.623 ( 1.306 -4.399 1.360) 4.786 5.671 ( 1.932 -0.966 -0.118) 2.163 6.153 ( 1.423 -1.598 0.822) 2.292 6.340 ( 2.817 1.751 -5.199) 6.167 6.382 ( -0.323 -3.492 -0.584) 3.555 6.500 ( 0.215 -1.308 0.001) 1.326 6.584 ( 2.831 -4.701 -0.199) 5.491 6.683 ( -2.931 0.193 2.395) 3.790 6.908 ( 3.392 -0.351 4.166) 5.384 7.030 ( 4.337 0.470 -1.604) 4.648 7.312 ( 0.339 4.292 1.762) 4.652 7.450 ( 2.914 0.179 -4.359) 5.246 7.781 ( 3.491 1.278 1.617) 4.054 7.880 ( 2.776 -1.067 -0.930) 3.116 8.360 ( 0.902 2.222 0.084) 2.400 8.471 ( -3.614 1.091 3.901) 5.429 8.538 ( 2.715 -1.071 0.209) 2.926 8.595 ( 2.422 2.697 0.621) 3.678 8.653 ( 2.427 4.968 -3.013) 6.296 8.822 ( -2.184 1.264 -1.486) 2.928 8.859 ( 3.730 0.921 1.725) 4.211 9.028 ( 1.672 -0.128 -1.634) 2.341 9.113 ( 2.120 2.461 1.508) 3.581 9.197 ( -0.836 -3.670 -1.180) 3.945 9.217 ( -3.402 -3.355 2.116) 5.225 9.393 ( -0.462 1.404 -0.973) 1.770 9.467 ( -1.863 3.187 0.647) 3.748 9.635 ( 2.431 -1.630 -3.710) 4.726 9.749 ( -2.491 -1.736 0.508) 3.079 9.798 ( -4.670 0.351 0.496) 4.709 9.936 ( 3.431 -0.545 -0.680) 3.540 9.975 ( 1.655 0.261 -0.085) 1.678 10.142 ( 2.508 -5.481 0.143) 6.030 10.233 ( -0.043 -4.213 -0.416) 4.234 10.413 ( 3.130 1.886 -0.513) 3.690 10.472 ( 1.188 1.847 -0.192) 2.204======================= Grid point 144 (75/92) =======================q-point: ( 0.00 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( 2.098 8.254 5.653) 10.222 0.940 ( 0.274 6.922 1.333) 7.055 1.105 ( 2.264 5.891 2.790) 6.900 1.203 ( -2.121 5.285 -3.661) 6.771 1.242 ( -0.069 1.251 2.735) 3.008 1.299 ( -3.337 2.218 -4.095) 5.729 1.424 ( -2.327 -5.119 -0.569) 5.652 1.445 ( 2.192 -0.990 -2.816) 3.703 1.509 ( 0.603 0.326 3.493) 3.560 1.557 ( -0.437 1.448 -1.754) 2.316 1.676 ( 0.168 2.095 4.077) 4.587 1.775 ( -1.896 5.818 -3.428) 7.014 1.805 ( -0.586 1.057 4.437) 4.599 1.900 ( 2.788 -0.867 -2.330) 3.735 1.998 ( 1.177 4.706 0.566) 4.884 2.043 ( -0.151 1.932 -2.209) 2.939 2.173 ( 3.056 3.745 4.113) 6.346 2.211 ( -0.974 0.247 -0.712) 1.232 2.239 ( -2.360 2.845 3.041) 4.787 2.340 ( 1.288 -1.528 -4.890) 5.283 2.461 ( -0.580 4.783 0.886) 4.899 2.494 ( 0.772 7.898 -2.469) 8.311 2.589 ( 1.314 1.828 1.927) 2.963 2.627 ( -0.566 2.189 -0.133) 2.265 2.684 ( -0.463 5.000 2.192) 5.479 2.723 ( 0.344 3.931 0.686) 4.005 2.815 ( -0.234 -0.334 -1.371) 1.431 2.854 ( -3.278 0.592 1.733) 3.755 2.898 ( 0.671 -0.715 -4.324) 4.433 2.919 ( 1.835 0.611 -1.692) 2.570 3.128 ( 0.088 -4.694 3.592) 5.912 3.188 ( -0.870 -4.058 -2.221) 4.707 3.331 ( -4.075 -6.635 1.195) 7.878 3.369 ( 3.940 -5.233 -2.350) 6.959 3.487 ( 0.817 7.078 1.925) 7.380 3.556 ( 1.011 8.522 -4.286) 9.592 4.422 ( 1.413 -4.709 4.337) 6.556 4.489 ( -0.909 -5.248 -1.831) 5.632 5.030 ( -0.771 0.627 3.302) 3.448 5.066 ( 1.089 1.264 0.098) 1.672 5.120 ( 0.622 1.426 -0.040) 1.557 5.148 ( -1.834 0.635 -2.402) 3.088 5.609 ( 2.574 -3.609 1.048) 4.555 5.634 ( -1.055 -3.839 -1.492) 4.252 6.163 ( 1.653 -1.879 0.611) 2.576 6.193 ( -2.791 -3.997 -2.419) 5.442 6.432 ( 2.465 -2.855 0.618) 3.822 6.462 ( -1.079 -2.674 -2.108) 3.572 6.626 ( 6.466 1.714 0.428) 6.703 6.629 ( -5.197 0.807 0.413) 5.275 6.935 ( -0.849 -3.724 2.100) 4.359 6.968 ( -0.596 -5.815 -1.284) 5.984 7.433 ( -2.032 6.943 2.788) 7.753 7.497 ( 1.444 5.940 -3.381) 6.986 7.831 ( -1.833 -0.836 1.981) 2.826 7.872 ( 0.915 -1.239 -1.879) 2.429 8.449 ( -1.906 3.945 0.827) 4.459 8.466 ( 3.184 2.912 -0.714) 4.374 8.618 ( -0.607 1.799 3.395) 3.890 8.683 ( 1.138 1.802 -2.894) 3.594 8.754 ( -1.619 3.674 2.177) 4.567 8.806 ( 1.664 2.586 -2.790) 4.152 8.945 ( 0.358 0.833 2.889) 3.028 9.004 ( -0.423 0.341 -2.511) 2.569 9.133 ( 0.248 -1.255 0.054) 1.281 9.136 ( -0.267 -1.282 -0.329) 1.350 9.279 ( 6.173 0.463 3.931) 7.333 9.334 ( -8.590 -1.238 -1.434) 8.797 9.497 ( 0.289 0.876 0.362) 0.991 9.520 ( -3.423 0.665 -1.877) 3.961 9.708 ( -1.532 -3.110 1.351) 3.721 9.728 ( 1.614 -3.522 -0.708) 3.938 9.947 ( -0.288 -1.255 -0.122) 1.293 9.954 ( -0.207 -1.103 -0.672) 1.308 10.117 ( -1.655 -1.334 2.173) 3.040 10.157 ( 1.531 -2.222 -1.802) 3.245 10.478 ( -1.781 0.408 0.554) 1.909 10.492 ( 1.969 0.386 -0.722) 2.132======================= Grid point 145 (76/92) =======================q-point: ( 0.11 0.29 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( -0.873 10.093 -3.028) 10.573 0.963 ( 0.233 4.063 0.891) 4.166 1.080 ( -1.457 7.739 -4.488) 9.065 1.202 ( 0.210 5.098 3.087) 5.963 1.232 ( -1.550 1.773 -0.387) 2.387 1.318 ( 1.591 3.239 4.152) 5.501 1.381 ( -0.145 -1.886 1.365) 2.333 1.474 ( 2.877 -3.665 0.693) 4.711 1.538 ( 1.775 1.833 -1.109) 2.782 1.591 ( 3.227 -1.192 0.255) 3.449 1.698 ( -1.412 4.469 -1.726) 4.994 1.765 ( 2.250 3.019 3.814) 5.359 1.831 ( -0.680 0.945 1.176) 1.655 1.915 ( 2.168 1.764 -3.271) 4.303 1.997 ( -0.773 1.165 1.184) 1.832 2.014 ( 0.053 4.316 -4.151) 5.989 2.154 ( -1.421 3.851 -1.334) 4.316 2.201 ( -1.687 1.001 -0.319) 1.987 2.278 ( -0.523 0.462 4.422) 4.477 2.327 ( 1.994 -1.313 -3.770) 4.462 2.445 ( -0.614 3.334 0.867) 3.499 2.497 ( -0.895 5.928 0.085) 5.996 2.590 ( -0.534 3.965 -3.052) 5.032 2.632 ( 0.761 3.226 1.603) 3.682 2.676 ( -1.901 4.906 0.943) 5.345 2.762 ( 2.929 3.352 -3.618) 5.737 2.795 ( -2.369 -2.159 3.407) 4.678 2.836 ( -0.716 2.891 4.399) 5.312 2.871 ( -1.058 0.479 -1.007) 1.538 2.922 ( 0.706 -2.110 -2.696) 3.495 3.120 ( -3.086 -2.960 2.111) 4.769 3.169 ( -1.333 -5.161 -1.061) 5.435 3.269 ( -2.867 -4.655 2.884) 6.180 3.357 ( -1.859 1.930 -2.683) 3.792 3.522 ( 1.073 5.127 -1.150) 5.363 3.576 ( 3.821 2.273 0.215) 4.451 4.454 ( 0.592 -4.445 -3.203) 5.510 4.483 ( 0.199 -4.232 2.447) 4.893 4.989 ( -4.846 1.549 0.177) 5.091 5.063 ( -0.479 0.172 -0.837) 0.980 5.101 ( 0.036 1.438 0.698) 1.599 5.149 ( 1.039 0.592 1.845) 2.199 5.559 ( -3.687 -5.748 -1.757) 7.052 5.611 ( -2.458 -4.007 1.476) 4.927 6.120 ( -2.807 -2.393 -0.349) 3.705 6.203 ( 1.626 -3.299 1.603) 4.012 6.401 ( -2.175 -1.311 -2.451) 3.530 6.447 ( -0.795 -4.843 -0.885) 4.987 6.536 ( -2.465 1.468 -0.641) 2.940 6.747 ( 5.170 1.736 -1.560) 5.673 6.924 ( -2.784 -2.034 0.630) 3.505 6.942 ( -1.456 -4.854 1.066) 5.179 7.405 ( -5.562 4.214 3.458) 7.788 7.481 ( -1.264 5.539 -2.154) 6.076 7.786 ( -5.277 -0.949 1.622) 5.602 7.841 ( -3.275 -0.154 0.336) 3.296 8.419 ( -0.417 3.728 -0.173) 3.755 8.529 ( 0.629 0.697 -0.410) 1.025 8.577 ( -1.645 1.755 -0.319) 2.426 8.635 ( -3.660 2.308 -1.119) 4.469 8.724 ( -1.752 4.749 0.392) 5.077 8.854 ( 2.707 1.991 -1.045) 3.520 8.945 ( -3.172 2.002 -2.648) 4.591 8.975 ( -0.106 0.239 1.991) 2.008 9.119 ( 0.294 -2.976 0.359) 3.012 9.164 ( 1.020 0.184 -0.283) 1.075 9.242 ( 1.695 1.008 -2.024) 2.826 9.394 ( 0.871 -0.222 2.151) 2.331 9.508 ( -1.686 -2.211 2.821) 3.960 9.522 ( 2.249 0.634 -1.210) 2.631 9.708 ( 1.811 -3.052 0.320) 3.564 9.790 ( 5.860 -3.139 -0.858) 6.703 9.921 ( -1.808 0.057 0.088) 1.811 9.944 ( -0.998 -1.647 0.696) 2.048 10.083 ( -2.970 -0.225 0.629) 3.045 10.160 ( -0.067 -3.155 -1.028) 3.319 10.445 ( -2.166 1.463 0.013) 2.614 10.492 ( -1.292 0.219 -0.207) 1.327======================= Grid point 146 (77/92) =======================q-point: ( 0.22 0.29 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( 6.665 12.774 -1.254) 14.462 0.982 ( 1.178 3.421 1.745) 4.017 1.054 ( 2.694 6.897 -3.466) 8.176 1.188 ( -2.846 1.917 1.515) 3.751 1.236 ( 1.431 2.389 -0.102) 2.786 1.343 ( 0.490 0.203 2.697) 2.748 1.405 ( -0.104 0.428 -1.385) 1.454 1.547 ( 0.737 1.269 -2.627) 3.009 1.588 ( 2.672 1.710 4.737) 5.701 1.618 ( 2.154 1.291 -1.797) 3.088 1.678 ( 1.797 2.340 0.372) 2.974 1.800 ( -1.322 2.900 -1.831) 3.675 1.824 ( -0.868 6.046 4.201) 7.413 1.920 ( -1.310 3.272 -1.680) 3.904 1.980 ( 4.742 1.298 -4.243) 6.495 2.018 ( 0.472 -0.351 1.304) 1.431 2.139 ( -0.797 1.122 -1.416) 1.974 2.193 ( 2.825 2.718 0.064) 3.921 2.290 ( -0.478 -0.873 1.529) 1.824 2.315 ( 0.062 -1.267 -1.730) 2.145 2.437 ( -1.743 0.668 -0.091) 1.869 2.465 ( -2.615 3.639 1.257) 4.654 2.544 ( -1.113 4.456 -3.151) 5.570 2.646 ( -2.039 4.808 0.548) 5.252 2.654 ( -0.804 3.036 -0.048) 3.141 2.732 ( -2.195 2.548 -1.340) 3.620 2.788 ( 0.151 0.901 0.990) 1.348 2.814 ( -3.924 0.758 0.370) 4.013 2.898 ( -0.242 -3.387 -0.384) 3.417 2.919 ( 0.598 -1.870 2.470) 3.155 3.089 ( -0.696 -2.188 -3.228) 3.962 3.121 ( -3.030 -3.563 4.102) 6.221 3.276 ( -3.075 5.639 -3.174) 7.165 3.314 ( 2.130 -0.951 4.818) 5.353 3.520 ( 0.553 1.626 -1.217) 2.104 3.653 ( 3.357 -2.051 0.814) 4.017 4.446 ( 2.174 -3.369 -2.634) 4.797 4.496 ( 0.298 -3.079 0.283) 3.107 4.919 ( -2.815 2.551 -0.262) 3.808 5.048 ( -0.544 1.239 0.024) 1.353 5.131 ( 1.590 0.597 1.233) 2.099 5.205 ( 3.187 0.840 0.903) 3.417 5.502 ( -0.695 -5.759 -1.012) 5.888 5.589 ( -1.237 -3.620 0.788) 3.906 6.080 ( -1.974 -2.117 0.434) 2.927 6.246 ( 0.293 -3.920 2.100) 4.456 6.335 ( -2.849 -3.259 -0.667) 4.380 6.407 ( -1.384 -7.106 -1.648) 7.424 6.501 ( -1.376 2.734 -0.602) 3.120 6.761 ( -0.741 1.231 -3.090) 3.407 6.849 ( -4.976 0.376 -0.907) 5.072 6.926 ( -3.015 -2.581 2.312) 4.593 7.309 ( -8.783 2.391 2.693) 9.492 7.410 ( -5.332 3.029 -0.041) 6.132 7.676 ( -7.787 0.707 -0.152) 7.821 7.793 ( -3.281 0.174 2.097) 3.898 8.416 ( -2.205 1.885 -0.417) 2.931 8.453 ( -2.839 1.711 -0.531) 3.357 8.551 ( -4.610 2.929 0.532) 5.488 8.593 ( 1.944 -1.083 -3.815) 4.417 8.712 ( -1.517 5.892 3.310) 6.927 8.804 ( -5.440 3.196 -1.809) 6.563 8.901 ( -0.491 1.372 -0.062) 1.459 8.978 ( -0.491 0.493 0.463) 0.835 9.139 ( -0.396 -0.258 -1.697) 1.761 9.146 ( 0.417 0.414 -0.128) 0.601 9.269 ( 2.224 -0.484 -0.369) 2.306 9.387 ( -1.989 -0.637 -0.035) 2.089 9.493 ( -2.196 -3.354 2.046) 4.501 9.540 ( 1.277 -0.495 -0.685) 1.532 9.755 ( 1.931 -3.145 0.527) 3.728 9.850 ( 0.058 -3.979 -0.524) 4.013 9.910 ( 1.321 2.251 0.148) 2.614 9.933 ( -1.103 -0.110 0.677) 1.299 10.036 ( -2.426 -0.656 0.549) 2.572 10.138 ( -0.939 -4.064 -1.096) 4.312 10.397 ( -3.191 1.656 0.133) 3.598 10.456 ( -2.480 0.025 0.082) 2.482======================= Grid point 147 (78/92) =======================q-point: ( 0.33 0.29 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( -0.355 6.918 3.292) 7.669 1.070 ( 3.733 2.794 -2.042) 5.090 1.109 ( 6.406 4.722 -0.512) 7.975 1.156 ( -2.646 1.543 1.541) 3.428 1.296 ( 6.543 2.207 0.685) 6.939 1.354 ( -1.969 1.681 -2.711) 3.749 1.415 ( 4.381 0.119 1.785) 4.733 1.513 ( -1.089 2.981 -0.858) 3.287 1.606 ( 1.590 1.937 -2.733) 3.708 1.683 ( 2.035 1.826 1.178) 2.977 1.743 ( 1.979 4.704 1.687) 5.375 1.771 ( -1.069 2.998 1.213) 3.406 1.831 ( -1.657 7.306 0.630) 7.518 1.875 ( -0.047 4.694 -0.712) 4.748 1.975 ( -1.342 0.542 -0.163) 1.456 2.084 ( 4.274 -0.594 0.718) 4.374 2.134 ( 2.727 -3.768 -2.483) 5.273 2.254 ( 1.721 2.203 0.941) 2.949 2.290 ( 0.523 -0.467 -2.406) 2.506 2.314 ( 0.800 0.319 1.175) 1.457 2.374 ( -3.391 1.839 -3.561) 5.251 2.447 ( -2.396 1.471 1.779) 3.327 2.484 ( -1.086 2.539 -2.353) 3.628 2.575 ( -4.545 2.661 0.126) 5.268 2.647 ( -0.147 3.640 -1.238) 3.848 2.667 ( -4.853 1.554 2.427) 5.645 2.763 ( -2.812 -1.410 1.523) 3.495 2.805 ( -0.142 2.142 -1.218) 2.468 2.878 ( -1.352 -2.589 0.251) 2.932 2.924 ( 0.611 -1.157 1.012) 1.655 3.073 ( 0.120 -2.870 -0.852) 2.996 3.114 ( -1.943 -1.425 0.497) 2.460 3.201 ( -0.647 9.802 -2.380) 10.107 3.421 ( 3.086 -1.253 5.208) 6.182 3.507 ( -1.060 0.136 -0.998) 1.462 3.701 ( 2.152 -5.258 -0.934) 5.758 4.474 ( 2.890 -2.319 -0.922) 3.818 4.511 ( 0.808 -2.235 0.628) 2.457 4.881 ( -1.313 3.954 0.287) 4.176 5.035 ( -0.642 2.385 -1.381) 2.830 5.169 ( 1.513 -0.671 0.187) 1.666 5.252 ( 0.983 0.871 -0.182) 1.326 5.523 ( 3.680 -3.438 0.055) 5.036 5.594 ( 1.403 -2.190 0.055) 2.601 6.065 ( -0.222 -3.212 0.891) 3.340 6.237 ( -3.128 -3.170 1.418) 4.674 6.302 ( -1.178 -2.666 0.814) 3.026 6.385 ( 0.382 -9.611 -0.960) 9.667 6.478 ( -0.805 1.328 0.630) 1.676 6.683 ( -4.626 1.357 -1.291) 4.991 6.742 ( -5.456 1.693 -1.321) 5.863 6.867 ( -5.420 -1.984 0.122) 5.773 7.169 ( -9.280 1.092 2.140) 9.586 7.301 ( -6.584 1.340 -0.300) 6.726 7.549 ( -5.732 0.878 0.993) 5.883 7.759 ( -2.431 -0.319 0.119) 2.455 8.339 ( -3.443 2.488 -0.480) 4.275 8.410 ( -3.396 1.356 0.086) 3.658 8.514 ( -1.396 1.972 1.421) 2.803 8.572 ( 0.161 -1.969 -2.736) 3.375 8.689 ( -3.648 7.946 0.313) 8.749 8.735 ( -1.164 4.401 1.100) 4.683 8.889 ( -1.036 1.189 0.625) 1.697 8.992 ( 1.607 0.787 0.745) 1.938 9.078 ( -2.192 3.818 -2.868) 5.254 9.169 ( 1.118 -2.012 -0.920) 2.479 9.299 ( 0.654 -2.182 0.977) 2.478 9.350 ( -0.841 -1.559 -1.153) 2.113 9.482 ( -0.725 -2.570 0.805) 2.789 9.555 ( 0.562 -2.717 0.021) 2.774 9.772 ( -0.405 -3.024 0.342) 3.070 9.815 ( -2.346 -2.335 -0.554) 3.356 9.923 ( -0.077 2.784 0.094) 2.787 9.931 ( 0.559 1.207 -0.154) 1.339 10.030 ( 0.301 -1.405 1.387) 1.997 10.108 ( -1.075 -4.562 -1.057) 4.804 10.345 ( -2.660 1.158 0.350) 2.923 10.410 ( -2.784 -0.414 0.090) 2.816======================= Grid point 148 (79/92) =======================q-point: ( 0.44 0.29 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( -0.687 6.032 3.787) 7.155 1.090 ( 0.896 2.134 -2.092) 3.119 1.133 ( -1.086 1.557 1.304) 2.303 1.158 ( 2.289 1.471 -2.463) 3.670 1.321 ( 0.597 1.487 -0.081) 1.604 1.381 ( -1.378 -0.023 -0.894) 1.643 1.486 ( 1.525 3.008 1.880) 3.861 1.531 ( 3.587 2.528 -0.857) 4.471 1.612 ( 2.047 1.859 -1.177) 3.005 1.670 ( -2.886 2.215 -1.112) 3.805 1.760 ( -2.170 5.333 2.732) 6.373 1.798 ( 1.107 2.635 0.604) 2.921 1.837 ( 3.949 5.628 0.561) 6.898 1.909 ( 2.582 6.455 0.016) 6.952 1.994 ( 1.393 2.459 3.545) 4.533 2.120 ( -0.233 -1.466 0.005) 1.484 2.162 ( 1.898 1.219 -2.115) 3.092 2.216 ( -6.734 -1.148 -2.061) 7.136 2.261 ( -1.714 0.995 0.811) 2.142 2.297 ( 2.440 2.592 -4.975) 6.117 2.357 ( 1.295 -2.908 1.056) 3.354 2.430 ( 1.177 0.360 1.327) 1.810 2.458 ( -1.728 -1.884 -1.439) 2.934 2.509 ( -3.141 -1.018 -0.879) 3.416 2.606 ( -1.135 5.824 2.128) 6.304 2.661 ( -0.469 0.090 0.413) 0.631 2.743 ( -0.384 2.340 0.007) 2.372 2.758 ( -1.302 1.210 -1.953) 2.641 2.900 ( 1.422 -1.081 2.586) 3.143 2.962 ( 0.856 -1.415 2.529) 3.022 3.039 ( -4.368 -1.889 -0.669) 4.806 3.053 ( -0.025 -0.867 -3.506) 3.612 3.240 ( 5.152 10.186 0.512) 11.426 3.417 ( -4.755 7.407 -2.831) 9.246 3.544 ( 2.047 -7.537 5.579) 9.598 3.706 ( 0.643 -6.382 -3.092) 7.120 4.517 ( 1.966 -1.909 0.321) 2.759 4.531 ( 0.307 -1.921 0.752) 2.086 4.880 ( 0.011 4.755 1.557) 5.004 4.991 ( -1.009 3.034 -3.683) 4.878 5.189 ( 0.469 -1.465 0.611) 1.655 5.236 ( -1.803 -0.126 -0.464) 1.866 5.601 ( 3.597 -1.486 0.252) 3.900 5.625 ( 1.364 -0.385 -0.152) 1.425 6.098 ( 2.441 -4.331 1.273) 5.133 6.180 ( -3.772 -3.517 -0.058) 5.157 6.309 ( 0.152 -2.113 2.017) 2.925 6.382 ( 0.552 -7.070 -1.960) 7.357 6.501 ( 1.732 -0.656 2.264) 2.925 6.601 ( -3.771 -0.244 0.662) 3.836 6.656 ( -1.684 1.057 -0.808) 2.146 6.754 ( -5.263 -1.025 -2.043) 5.738 7.068 ( -3.890 0.765 2.591) 4.736 7.185 ( -3.772 2.356 -3.314) 5.546 7.525 ( -0.602 -1.501 4.845) 5.108 7.702 ( -2.149 -1.703 -3.075) 4.120 8.309 ( -0.056 3.287 0.706) 3.362 8.358 ( -1.791 1.541 -0.786) 2.490 8.496 ( -2.956 0.125 2.815) 4.084 8.552 ( 0.977 -0.885 -2.410) 2.747 8.671 ( 0.791 9.787 0.450) 9.830 8.715 ( -1.715 4.720 -0.180) 5.026 8.889 ( -0.447 1.957 2.089) 2.897 9.008 ( -0.135 4.083 -4.741) 6.259 9.050 ( 1.458 0.033 2.823) 3.177 9.157 ( -0.518 -1.146 -2.204) 2.538 9.310 ( -0.973 -2.587 1.616) 3.202 9.338 ( 0.536 -2.921 -0.931) 3.112 9.490 ( 0.266 -2.789 1.260) 3.072 9.550 ( 0.023 -3.609 -1.613) 3.953 9.760 ( -1.114 -2.148 0.682) 2.514 9.777 ( -0.809 -1.779 -0.726) 2.085 9.931 ( 0.327 2.928 -0.133) 2.950 9.938 ( 0.623 1.713 -0.323) 1.851 10.047 ( -0.759 -1.458 2.004) 2.592 10.087 ( 0.342 -4.010 -1.308) 4.232 10.324 ( -0.113 -0.105 0.687) 0.704 10.364 ( -2.122 -0.746 -0.323) 2.273======================= Grid point 149 (80/92) =======================q-point: (-0.44 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( -1.199 5.229 3.787) 6.567 1.072 ( 0.120 3.981 -2.140) 4.521 1.129 ( -0.512 2.189 -0.216) 2.259 1.169 ( 1.885 0.689 -2.016) 2.845 1.311 ( -3.501 2.218 0.635) 4.192 1.355 ( 0.896 0.284 1.373) 1.664 1.514 ( -1.474 1.691 -0.697) 2.349 1.536 ( 0.035 1.700 -1.062) 2.005 1.591 ( -4.306 2.430 0.309) 4.954 1.653 ( 1.636 2.744 0.322) 3.211 1.753 ( -2.050 3.357 3.206) 5.075 1.813 ( 1.040 1.792 -0.764) 2.208 1.884 ( -1.446 7.169 -3.951) 8.312 1.907 ( 1.359 7.622 0.383) 7.752 2.067 ( -3.632 0.294 -2.324) 4.322 2.074 ( -1.655 1.306 4.502) 4.971 2.139 ( 0.014 -1.370 -0.442) 1.440 2.188 ( 4.756 -0.207 0.044) 4.761 2.222 ( -3.666 1.563 2.360) 4.632 2.282 ( 0.478 1.717 -1.450) 2.297 2.377 ( -3.075 -1.536 -0.019) 3.437 2.434 ( 2.886 -3.056 -0.405) 4.223 2.454 ( -0.028 -2.469 -0.318) 2.490 2.502 ( 4.008 0.167 -0.269) 4.020 2.640 ( 0.146 3.112 0.722) 3.198 2.655 ( 2.539 4.136 -0.420) 4.871 2.728 ( -0.520 1.774 -0.015) 1.849 2.759 ( 2.208 0.583 -1.065) 2.520 2.936 ( -2.056 -1.675 0.463) 2.692 2.980 ( -0.223 0.009 1.519) 1.535 3.005 ( 2.142 -3.065 -0.319) 3.753 3.043 ( 2.639 0.221 -1.578) 3.082 3.272 ( -6.289 10.876 -2.322) 12.776 3.360 ( 4.901 6.675 2.264) 8.585 3.619 ( -0.201 -7.625 3.847) 8.543 3.661 ( -0.538 -5.455 -4.129) 6.862 4.519 ( -1.905 -1.559 0.062) 2.463 4.546 ( 0.683 -2.612 -0.512) 2.748 4.909 ( -0.135 4.206 2.683) 4.991 4.941 ( 0.672 3.178 -3.147) 4.522 5.181 ( -2.935 -1.157 1.738) 3.602 5.222 ( 0.591 -1.178 0.638) 1.464 5.613 ( -2.339 -0.488 -0.851) 2.537 5.624 ( -1.103 -0.822 -0.074) 1.377 6.108 ( -2.852 -3.206 0.278) 4.300 6.174 ( 3.659 -4.510 0.471) 5.827 6.332 ( -0.330 -4.394 1.307) 4.596 6.377 ( 2.705 -3.378 -2.967) 5.247 6.540 ( -1.825 -1.614 -0.500) 2.487 6.585 ( 3.954 1.486 1.236) 4.401 6.661 ( 0.037 1.145 -0.245) 1.171 6.727 ( 6.222 -2.748 -0.240) 6.806 7.102 ( 3.540 2.457 3.925) 5.829 7.135 ( 3.144 2.659 -3.673) 5.518 7.603 ( 1.948 -2.579 5.764) 6.608 7.634 ( 0.022 -2.847 -4.538) 5.357 8.325 ( 0.406 2.439 -0.503) 2.523 8.354 ( 3.327 2.058 -0.736) 3.981 8.483 ( -1.966 0.473 3.088) 3.691 8.569 ( 3.989 -0.224 -2.570) 4.751 8.660 ( -2.838 6.350 0.442) 6.970 8.720 ( 2.661 7.558 -0.160) 8.014 8.906 ( -1.524 3.110 3.313) 4.792 8.972 ( 2.236 3.217 -4.097) 5.669 9.094 ( -1.188 -0.730 1.240) 1.866 9.119 ( 0.478 -0.072 -1.265) 1.354 9.308 ( -1.141 -2.141 1.821) 3.034 9.338 ( 0.154 -3.789 -0.886) 3.895 9.487 ( -1.932 -1.892 1.219) 2.966 9.559 ( 3.290 -4.453 -2.125) 5.930 9.752 ( -0.636 -2.283 0.910) 2.538 9.783 ( 2.128 -1.469 -0.739) 2.689 9.919 ( -1.632 2.755 0.817) 3.305 9.940 ( -0.014 2.391 -0.465) 2.436 10.052 ( -0.988 -2.770 1.672) 3.383 10.090 ( 1.681 -3.108 -1.667) 3.907 10.335 ( 0.002 -0.230 -0.219) 0.317 10.357 ( 2.448 -0.831 0.219) 2.594======================= Grid point 150 (81/92) =======================q-point: (-0.33 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( -1.860 5.162 1.061) 5.589 1.043 ( -2.838 6.862 -0.506) 7.443 1.106 ( -2.923 3.569 -0.728) 4.670 1.188 ( 2.498 0.600 -1.316) 2.887 1.291 ( -2.037 3.940 2.176) 4.941 1.310 ( -4.799 0.337 -0.570) 4.844 1.447 ( -3.186 -2.152 -1.263) 4.047 1.494 ( -3.150 3.511 1.035) 4.829 1.569 ( 0.226 1.319 0.120) 1.343 1.665 ( -0.960 2.239 2.513) 3.500 1.744 ( -2.101 4.284 1.718) 5.071 1.816 ( 0.190 0.761 -2.237) 2.371 1.861 ( 0.908 4.963 -1.203) 5.187 1.890 ( 0.338 5.628 -1.672) 5.881 1.978 ( -4.571 2.878 -1.627) 5.641 2.071 ( -0.308 2.021 1.490) 2.529 2.116 ( -1.142 -4.236 -0.635) 4.433 2.195 ( -4.001 2.415 4.341) 6.379 2.275 ( -0.295 1.057 -0.079) 1.100 2.316 ( 5.859 0.285 1.894) 6.164 2.334 ( -0.513 0.618 -0.733) 1.087 2.460 ( 0.353 -0.199 0.489) 0.635 2.485 ( 3.276 0.220 -1.476) 3.600 2.571 ( 3.148 0.794 1.007) 3.399 2.636 ( 1.095 3.565 -0.914) 3.839 2.727 ( 3.041 0.219 -2.188) 3.753 2.748 ( 3.445 4.085 2.481) 5.891 2.796 ( 3.272 -2.005 -0.983) 3.961 2.902 ( -0.251 -1.736 -1.832) 2.536 2.945 ( -4.399 3.675 -0.026) 5.733 3.029 ( -0.075 -1.469 2.018) 2.497 3.117 ( 4.444 -2.130 0.289) 4.937 3.196 ( 1.229 8.283 -1.645) 8.533 3.445 ( 0.573 4.023 2.471) 4.756 3.558 ( -2.022 -7.230 -5.100) 9.076 3.669 ( -0.358 -4.105 2.046) 4.601 4.466 ( -3.683 -2.259 -0.185) 4.325 4.530 ( -1.322 -2.884 -1.050) 3.341 4.901 ( 0.508 2.290 -1.341) 2.702 4.982 ( 1.826 4.219 2.777) 5.371 5.156 ( -1.642 -0.891 1.456) 2.368 5.229 ( -2.058 -0.387 2.094) 2.962 5.538 ( -3.742 -2.306 -1.384) 4.608 5.595 ( -1.154 -1.786 0.083) 2.128 6.081 ( 0.117 -2.637 -0.616) 2.710 6.241 ( 2.906 -4.583 0.517) 5.451 6.342 ( 1.122 -1.860 -0.219) 2.183 6.383 ( 1.263 -7.208 -2.703) 7.801 6.515 ( 0.960 -0.226 -2.725) 2.898 6.659 ( 2.557 2.346 1.250) 3.689 6.721 ( 5.970 2.657 0.406) 6.547 6.857 ( 6.674 -3.581 1.015) 7.642 7.210 ( 7.541 4.339 -1.053) 8.764 7.256 ( 8.829 2.812 2.272) 9.540 7.611 ( 3.897 -2.458 -3.925) 6.053 7.713 ( 3.017 -2.169 4.467) 5.811 8.341 ( 2.550 1.620 -0.714) 3.105 8.418 ( 3.898 1.886 -0.730) 4.392 8.494 ( -0.077 0.762 2.708) 2.815 8.590 ( 0.742 -0.803 -4.082) 4.226 8.664 ( 3.365 6.934 2.195) 8.013 8.758 ( 1.418 5.162 -0.277) 5.360 8.914 ( 1.203 3.054 -0.093) 3.284 8.979 ( -0.683 3.944 -0.162) 4.006 9.067 ( 1.414 -0.874 -1.302) 2.112 9.141 ( -0.266 -0.779 1.693) 1.882 9.303 ( -1.944 -1.293 1.063) 2.565 9.329 ( 0.594 -3.010 0.169) 3.073 9.482 ( 0.327 -1.097 0.518) 1.257 9.582 ( 1.237 -4.472 -2.035) 5.067 9.757 ( -0.472 -3.033 1.344) 3.351 9.824 ( 3.312 -1.190 -0.910) 3.635 9.913 ( 0.180 2.656 0.915) 2.815 9.933 ( -0.251 1.889 -0.240) 1.921 10.039 ( -1.751 -2.785 0.710) 3.365 10.109 ( 1.953 -4.082 -1.141) 4.667 10.354 ( 2.478 0.979 -0.476) 2.706 10.410 ( 2.966 -0.658 0.148) 3.042======================= Grid point 151 (82/92) =======================q-point: (-0.22 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.884 ( -12.231 12.421 -0.163) 17.432 0.979 ( -4.191 8.441 2.343) 9.711 1.057 ( 1.508 4.094 -2.979) 5.282 1.215 ( 1.677 -0.659 -1.160) 2.143 1.229 ( -1.165 2.532 -0.549) 2.840 1.343 ( 0.172 1.081 4.483) 4.615 1.392 ( -0.487 0.830 -1.257) 1.583 1.490 ( -0.361 -0.842 2.604) 2.760 1.577 ( 0.270 -0.509 0.955) 1.115 1.675 ( -0.696 0.827 -2.053) 2.321 1.711 ( -2.236 2.550 -1.785) 3.832 1.750 ( -3.482 4.224 1.702) 5.732 1.830 ( -4.970 7.006 5.267) 10.076 1.903 ( 1.140 4.974 -2.804) 5.823 1.941 ( 1.371 -0.917 -1.348) 2.130 2.053 ( -1.098 2.978 -0.799) 3.273 2.135 ( 1.744 1.851 -0.711) 2.640 2.159 ( -2.334 2.735 3.031) 4.703 2.264 ( -1.399 -1.029 1.018) 2.013 2.337 ( 1.564 -0.702 -1.394) 2.210 2.413 ( 2.970 0.918 1.754) 3.569 2.480 ( 1.284 1.918 0.525) 2.366 2.514 ( 1.727 4.630 -0.527) 4.970 2.633 ( 1.995 1.979 0.476) 2.850 2.652 ( 1.327 2.449 0.119) 2.787 2.740 ( -1.128 3.583 0.317) 3.769 2.801 ( 1.928 4.856 -1.380) 5.404 2.837 ( 2.877 -3.475 -2.004) 4.936 2.901 ( -0.627 0.371 -0.010) 0.729 2.929 ( 4.118 -2.687 1.315) 5.090 3.042 ( -0.822 -2.415 1.937) 3.203 3.174 ( 2.867 -2.680 -1.207) 4.106 3.248 ( 4.786 2.534 -0.792) 5.473 3.402 ( -3.349 0.471 -2.867) 4.434 3.512 ( -0.541 -2.997 -0.963) 3.194 3.665 ( -1.404 -0.704 -0.182) 1.581 4.404 ( -3.599 -3.205 1.415) 5.022 4.497 ( -1.089 -3.467 -0.019) 3.634 4.916 ( 1.875 1.905 -0.089) 2.674 5.028 ( 0.402 2.905 1.786) 3.434 5.148 ( -0.497 0.605 -0.123) 0.793 5.196 ( -3.223 1.112 1.685) 3.803 5.492 ( -0.164 -4.693 -0.049) 4.696 5.599 ( 1.511 -2.813 -0.178) 3.198 6.094 ( 1.902 -1.869 -0.750) 2.770 6.276 ( 0.836 -6.467 -0.649) 6.553 6.356 ( 1.768 -0.919 -1.906) 2.757 6.396 ( 2.465 -8.508 -0.771) 8.891 6.509 ( 1.447 2.282 -1.980) 3.350 6.706 ( 0.407 1.904 2.329) 3.035 6.829 ( 4.872 2.050 0.882) 5.359 6.955 ( 3.688 -3.461 -0.367) 5.071 7.338 ( 6.657 6.236 0.504) 9.136 7.412 ( 7.155 2.564 -1.011) 7.667 7.690 ( 7.379 -0.843 -1.095) 7.507 7.797 ( 2.857 -1.508 1.730) 3.665 8.402 ( 3.653 1.488 0.706) 4.007 8.450 ( 1.003 3.074 -0.298) 3.247 8.527 ( -1.147 -1.043 2.377) 2.838 8.579 ( 3.732 2.653 -1.989) 4.992 8.758 ( 1.433 5.876 -0.277) 6.054 8.770 ( 3.787 1.771 0.734) 4.245 8.914 ( -0.736 2.289 -2.004) 3.130 8.982 ( 2.015 0.865 0.595) 2.272 9.109 ( 2.206 0.308 0.788) 2.363 9.136 ( -1.227 -1.339 0.949) 2.049 9.265 ( -2.614 0.178 -0.043) 2.621 9.370 ( 2.189 -1.050 1.287) 2.748 9.499 ( 0.579 -0.902 0.728) 1.296 9.570 ( 1.020 -3.310 -2.426) 4.228 9.748 ( -2.191 -2.872 1.012) 3.752 9.864 ( 1.214 -2.500 -1.754) 3.286 9.913 ( -1.020 2.197 0.016) 2.422 9.940 ( 1.420 0.024 0.066) 1.422 10.034 ( 0.990 -1.424 0.869) 1.940 10.132 ( 1.660 -4.265 -0.574) 4.612 10.401 ( 3.010 1.558 -0.265) 3.400 10.458 ( 2.302 -0.232 -0.027) 2.313======================= Grid point 152 (83/92) =======================q-point: (-0.11 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( -1.525 13.928 5.354) 15.000 0.941 ( -3.682 9.663 4.170) 11.150 1.068 ( 2.938 4.003 -3.060) 5.833 1.213 ( -0.133 1.101 0.601) 1.261 1.234 ( 0.684 1.436 -0.321) 1.622 1.383 ( 0.898 -0.783 3.129) 3.349 1.392 ( 0.602 3.035 -3.052) 4.346 1.498 ( -1.182 -2.278 1.120) 2.800 1.534 ( -5.568 -1.899 -2.972) 6.591 1.603 ( -1.416 0.191 -2.055) 2.503 1.665 ( -1.170 3.676 -0.266) 3.867 1.761 ( -2.431 4.095 6.830) 8.327 1.849 ( -0.131 5.765 2.963) 6.483 1.859 ( -1.256 0.707 -1.138) 1.836 1.961 ( 3.583 4.492 -2.569) 6.294 2.051 ( 1.351 0.878 -2.032) 2.594 2.114 ( -1.134 7.692 2.594) 8.196 2.198 ( 1.834 1.668 -0.228) 2.489 2.254 ( -1.825 -1.868 2.244) 3.443 2.356 ( 2.133 -1.458 -2.328) 3.478 2.452 ( 0.381 2.851 0.456) 2.912 2.508 ( 0.730 5.687 0.067) 5.735 2.544 ( 1.707 2.832 0.851) 3.415 2.633 ( -0.904 2.010 0.601) 2.285 2.676 ( -0.410 2.682 0.583) 2.775 2.722 ( -0.414 6.402 0.773) 6.462 2.821 ( 1.633 1.717 -1.775) 2.961 2.867 ( 0.094 -3.606 1.171) 3.793 2.899 ( 1.216 1.191 -0.702) 1.841 2.957 ( 0.189 -1.642 -5.177) 5.435 3.072 ( 1.076 -4.593 4.048) 6.216 3.207 ( 2.485 -4.597 -2.289) 5.705 3.311 ( 2.890 -2.766 -0.891) 4.098 3.348 ( 1.081 -0.036 -1.698) 2.013 3.490 ( -1.787 0.961 0.819) 2.188 3.614 ( -2.324 5.035 -2.687) 6.162 4.382 ( -1.663 -4.235 3.539) 5.764 4.501 ( 0.475 -4.883 0.632) 4.947 4.964 ( 2.884 1.277 1.698) 3.582 5.046 ( 0.277 2.048 1.102) 2.342 5.126 ( -0.454 1.440 -1.359) 2.031 5.177 ( -0.047 1.443 -0.613) 1.569 5.528 ( 3.220 -5.041 1.277) 6.116 5.631 ( 2.057 -3.513 -0.495) 4.101 6.125 ( 2.379 -1.582 -0.636) 2.927 6.254 ( -0.824 -6.368 -2.968) 7.074 6.376 ( 2.384 -1.161 -0.392) 2.680 6.446 ( 3.555 -6.909 -0.436) 7.782 6.529 ( 2.386 2.882 -0.346) 3.757 6.707 ( -3.472 2.091 2.349) 4.684 6.903 ( 2.241 -0.642 1.297) 2.668 6.982 ( 0.859 -4.713 -1.448) 5.004 7.429 ( 1.014 7.240 2.371) 7.685 7.486 ( 4.642 3.373 -3.734) 6.847 7.798 ( 3.933 0.236 0.901) 4.042 7.852 ( 2.889 -1.807 -0.936) 3.533 8.422 ( 0.714 4.018 -0.489) 4.111 8.500 ( -3.691 1.826 2.112) 4.628 8.531 ( 5.099 0.510 2.269) 5.604 8.647 ( 4.036 2.215 -0.622) 4.645 8.745 ( 0.303 4.319 -1.334) 4.531 8.842 ( -0.350 1.177 0.152) 1.237 8.895 ( 1.240 2.402 1.407) 3.047 9.014 ( 1.371 -1.148 -1.248) 2.180 9.118 ( -0.120 -3.259 0.502) 3.300 9.153 ( 0.200 0.275 0.602) 0.692 9.216 ( -2.055 3.399 0.163) 3.976 9.402 ( -0.184 -0.354 0.631) 0.746 9.503 ( -0.878 0.285 0.505) 1.053 9.590 ( 3.299 -2.858 -3.657) 5.694 9.707 ( -2.460 -2.763 0.423) 3.723 9.788 ( -5.771 -2.129 -0.772) 6.199 9.930 ( 2.093 0.080 -0.852) 2.261 9.958 ( 0.755 -1.448 -0.575) 1.731 10.080 ( 2.462 -0.877 1.121) 2.844 10.152 ( 1.118 -3.371 -0.503) 3.587 10.448 ( 2.608 1.395 -0.257) 2.969 10.487 ( 0.748 -0.066 0.237) 0.788======================= Grid point 153 (84/92) =======================q-point: ( 0.00 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 0.601 8.118 1.728) 8.322 1.071 ( -0.847 6.121 -0.550) 6.204 1.166 ( 1.863 0.593 4.663) 5.056 1.249 ( -0.219 -4.124 -0.781) 4.203 1.267 ( 1.014 1.646 2.162) 2.900 1.296 ( -0.516 -2.229 -0.638) 2.375 1.360 ( -2.670 1.331 -1.904) 3.540 1.399 ( -1.295 -2.619 -4.297) 5.196 1.531 ( 1.289 1.914 2.024) 3.070 1.562 ( -0.136 -0.933 -1.256) 1.571 1.738 ( -0.742 4.233 4.031) 5.892 1.804 ( -0.712 -1.726 3.859) 4.287 1.848 ( 0.054 2.325 -5.862) 6.306 1.879 ( 2.157 -1.226 -3.102) 3.972 2.087 ( 0.210 3.299 0.658) 3.371 2.094 ( 0.416 4.458 -0.201) 4.482 2.191 ( 1.377 -0.186 1.527) 2.064 2.215 ( -1.524 0.366 -1.071) 1.898 2.219 ( 2.071 -3.547 1.900) 4.526 2.273 ( -0.759 -5.144 -3.223) 6.118 2.559 ( -1.938 3.681 3.061) 5.165 2.584 ( -0.677 1.089 1.910) 2.300 2.661 ( 1.566 3.561 -1.373) 4.126 2.680 ( 1.567 2.170 -1.011) 2.861 2.752 ( -1.977 1.131 2.987) 3.756 2.772 ( 1.304 0.865 -0.687) 1.708 2.822 ( 0.347 3.066 0.536) 3.132 2.876 ( 0.419 0.280 -1.230) 1.329 2.947 ( -3.597 8.083 0.193) 8.849 2.992 ( 2.242 2.339 -2.003) 3.809 3.036 ( -1.640 -3.005 1.566) 3.765 3.104 ( 2.402 -3.998 -3.678) 5.939 3.190 ( -4.994 -6.046 2.597) 8.261 3.243 ( 4.754 -7.318 -2.465) 9.068 3.660 ( 0.420 8.936 2.550) 9.303 3.711 ( 0.177 4.798 -2.441) 5.386 4.342 ( 0.946 -2.463 3.260) 4.194 4.379 ( -0.272 -5.467 -0.074) 5.475 5.057 ( -0.071 2.088 2.509) 3.265 5.085 ( 0.098 0.021 0.944) 0.949 5.135 ( -0.130 0.650 -1.778) 1.898 5.152 ( -1.630 -0.524 -2.531) 3.056 5.548 ( 1.556 -2.036 -0.174) 2.569 5.558 ( 0.207 -3.279 -1.294) 3.531 6.137 ( 1.105 -0.680 -0.112) 1.302 6.142 ( -1.177 -1.345 -0.598) 1.885 6.375 ( 0.463 -1.850 0.009) 1.907 6.391 ( 1.105 -3.284 -1.398) 3.736 6.678 ( 2.312 3.769 0.544) 4.455 6.694 ( -0.192 3.259 -1.103) 3.445 6.856 ( -0.072 -3.787 0.891) 3.891 6.866 ( -2.709 -4.251 -0.191) 5.045 7.553 ( -2.389 4.967 2.069) 5.887 7.584 ( 0.236 2.121 -0.824) 2.287 7.815 ( -0.908 -0.237 0.139) 0.949 7.838 ( 1.418 -2.123 -1.802) 3.125 8.516 ( -1.381 2.847 0.955) 3.306 8.529 ( 1.653 2.340 -0.201) 2.873 8.642 ( 0.625 1.320 1.915) 2.409 8.683 ( 1.946 -1.895 -1.995) 3.371 8.811 ( -0.216 1.973 0.808) 2.143 8.829 ( -0.703 0.148 -0.855) 1.117 8.982 ( 1.829 3.240 2.766) 4.637 9.020 ( -0.682 0.835 0.005) 1.078 9.104 ( -0.617 -1.852 -0.749) 2.091 9.113 ( 0.926 -1.340 -0.825) 1.825 9.276 ( 1.366 0.071 1.204) 1.822 9.301 ( -6.155 -2.168 -1.102) 6.618 9.524 ( 1.028 2.349 1.112) 2.795 9.544 ( -2.415 1.178 -0.655) 2.766 9.643 ( -0.253 -2.989 0.590) 3.057 9.651 ( -0.065 -3.646 -0.271) 3.656 9.940 ( -0.229 0.237 -0.245) 0.411 9.944 ( -0.157 -0.085 -0.541) 0.570 10.116 ( -0.265 0.640 0.937) 1.165 10.130 ( 0.646 -0.992 -0.563) 1.311 10.482 ( -0.397 0.169 0.131) 0.451 10.489 ( 1.068 -0.482 -0.521) 1.282======================= Grid point 154 (85/92) =======================q-point: ( 0.11 0.43 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( -0.285 5.498 -0.917) 5.581 1.067 ( 0.108 6.218 1.580) 6.417 1.189 ( 0.213 3.701 -4.042) 5.484 1.243 ( -1.224 0.990 1.315) 2.051 1.265 ( -1.122 0.020 -1.591) 1.947 1.304 ( -0.244 -4.419 0.127) 4.427 1.383 ( 5.006 -0.702 5.255) 7.292 1.396 ( 2.401 -1.077 1.042) 2.830 1.551 ( 1.549 0.819 -1.117) 2.077 1.573 ( 1.627 -1.012 -0.085) 1.918 1.776 ( -1.021 3.814 1.121) 4.104 1.814 ( 1.406 1.929 0.546) 2.449 1.836 ( 1.068 -0.026 1.183) 1.594 1.892 ( 3.115 -3.400 -3.089) 5.550 2.077 ( -0.858 6.361 -0.010) 6.418 2.104 ( 0.684 4.867 -2.587) 5.554 2.179 ( -0.541 -1.042 -0.045) 1.175 2.203 ( -2.338 -1.881 -1.404) 3.313 2.246 ( 1.436 -2.293 0.247) 2.717 2.271 ( 0.857 -3.894 0.673) 4.043 2.527 ( -4.005 4.260 1.618) 6.067 2.563 ( -3.205 0.972 1.101) 3.526 2.661 ( 0.059 2.598 -1.626) 3.065 2.705 ( 2.208 -0.071 -2.741) 3.521 2.740 ( -1.555 1.299 1.612) 2.589 2.782 ( -0.280 -1.341 1.158) 1.794 2.813 ( -2.878 7.853 -0.114) 8.364 2.871 ( 0.479 1.893 0.364) 1.987 2.889 ( -2.633 2.100 1.098) 3.542 2.975 ( -4.234 1.412 -0.244) 4.470 3.031 ( -1.310 -5.270 2.166) 5.846 3.077 ( 0.716 -3.882 -2.653) 4.756 3.196 ( 2.335 0.707 1.445) 2.836 3.299 ( 3.617 -6.719 -1.765) 7.832 3.659 ( -2.414 6.718 -1.986) 7.410 3.679 ( -1.298 5.049 1.177) 5.344 4.377 ( 1.550 -2.592 -2.048) 3.649 4.398 ( 1.758 -4.027 1.026) 4.512 5.034 ( -3.483 2.913 -0.298) 4.551 5.070 ( -1.288 -0.058 0.350) 1.336 5.116 ( -0.605 0.446 0.874) 1.153 5.141 ( 0.414 -1.473 2.346) 2.801 5.478 ( -4.557 -1.299 -0.479) 4.763 5.521 ( -3.047 -4.924 0.879) 5.857 6.104 ( -1.672 0.714 -0.586) 1.910 6.142 ( 0.314 -3.097 -0.250) 3.123 6.343 ( -3.467 -1.515 -0.232) 3.790 6.368 ( -1.313 -3.551 -2.041) 4.301 6.636 ( -0.162 7.163 -2.072) 7.458 6.752 ( 2.560 -3.317 -2.681) 4.974 6.863 ( 0.607 -1.152 1.558) 2.031 6.886 ( 0.291 -2.185 1.995) 2.973 7.493 ( -7.265 4.434 2.848) 8.975 7.541 ( -5.370 0.098 0.825) 5.434 7.784 ( -2.643 1.275 0.030) 2.935 7.822 ( -1.817 -1.945 -0.364) 2.686 8.486 ( -1.875 3.064 0.273) 3.602 8.527 ( -2.860 -1.177 0.289) 3.106 8.625 ( -0.465 3.130 -2.073) 3.783 8.662 ( -2.267 -0.100 -2.108) 3.097 8.799 ( -0.761 3.263 0.671) 3.417 8.852 ( 1.246 -2.235 0.914) 2.717 8.982 ( -1.927 2.085 -0.666) 2.916 9.002 ( 0.065 1.272 -0.690) 1.449 9.090 ( 0.346 0.909 0.005) 0.972 9.143 ( 2.938 -2.790 -1.484) 4.315 9.273 ( 0.906 2.654 0.692) 2.889 9.345 ( 0.800 -4.369 3.082) 5.407 9.496 ( -1.877 1.328 -0.504) 2.354 9.527 ( -1.253 -0.878 0.331) 1.565 9.664 ( 3.225 -0.168 0.330) 3.246 9.711 ( 4.260 -4.358 0.063) 6.095 9.931 ( -0.381 0.596 0.187) 0.731 9.934 ( -0.409 0.083 0.419) 0.592 10.095 ( -2.211 1.056 0.014) 2.450 10.119 ( -1.177 -1.493 -0.760) 2.047 10.466 ( -1.608 0.948 -0.048) 1.868 10.484 ( -1.266 -0.873 -0.277) 1.563======================= Grid point 155 (86/92) =======================q-point: ( 0.22 0.43 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( 0.539 4.207 0.885) 4.332 1.089 ( 1.502 3.861 0.389) 4.161 1.166 ( 1.530 5.550 -2.818) 6.410 1.205 ( -1.693 0.229 -0.524) 1.787 1.262 ( 1.514 1.338 0.627) 2.116 1.326 ( 1.336 -2.454 1.668) 3.254 1.431 ( 1.634 2.689 -1.212) 3.372 1.510 ( 4.255 -4.529 -0.983) 6.292 1.607 ( 3.009 0.667 1.746) 3.543 1.620 ( 4.604 -0.583 -0.199) 4.645 1.739 ( -0.121 4.853 -1.338) 5.036 1.822 ( -0.643 -2.596 0.825) 2.799 1.891 ( 0.528 2.156 4.048) 4.617 1.930 ( 2.591 -1.976 -0.292) 3.271 2.047 ( -1.591 5.174 -3.986) 6.722 2.073 ( 0.327 6.738 -0.549) 6.768 2.130 ( -2.520 -1.965 -2.381) 3.985 2.211 ( 2.309 -3.405 0.411) 4.134 2.276 ( -0.361 -1.485 0.634) 1.655 2.278 ( 1.526 -0.646 0.240) 1.674 2.471 ( -3.286 2.851 0.095) 4.352 2.510 ( -3.553 0.088 0.476) 3.586 2.619 ( -2.178 2.851 -2.451) 4.345 2.663 ( -1.996 -2.457 -4.313) 5.350 2.751 ( -2.656 5.953 1.153) 6.619 2.754 ( -1.029 3.118 1.873) 3.780 2.799 ( -0.402 -1.228 2.812) 3.094 2.849 ( -3.741 -1.261 0.014) 3.948 2.876 ( -0.856 0.716 -1.198) 1.637 2.895 ( -2.995 -0.396 1.751) 3.492 3.028 ( -0.079 -0.018 0.712) 0.717 3.085 ( 0.737 -2.933 -0.553) 3.074 3.266 ( 3.102 0.413 2.045) 3.739 3.328 ( 1.032 -2.550 -0.443) 2.787 3.602 ( -0.447 5.529 -2.551) 6.106 3.657 ( -1.975 0.751 0.419) 2.154 4.396 ( 3.166 -0.788 -1.868) 3.759 4.433 ( 2.204 -3.534 -0.427) 4.187 4.981 ( -1.898 3.805 -0.474) 4.279 5.050 ( -1.057 -2.472 -0.092) 2.690 5.141 ( 0.842 1.795 2.697) 3.347 5.188 ( 1.914 -2.330 2.080) 3.663 5.451 ( 1.523 0.970 0.201) 1.817 5.511 ( 0.509 -4.454 1.191) 4.638 6.069 ( -1.756 1.311 -0.461) 2.239 6.143 ( 0.046 -6.461 -0.543) 6.484 6.272 ( -4.200 -0.025 0.767) 4.269 6.314 ( -2.386 -3.819 -1.259) 4.676 6.601 ( -1.450 6.698 -2.215) 7.203 6.723 ( -1.775 -5.396 -3.148) 6.494 6.865 ( -2.677 1.377 0.799) 3.115 6.888 ( -2.503 -1.212 1.777) 3.300 7.367 ( -10.526 3.484 3.537) 11.638 7.423 ( -9.748 -1.746 2.642) 10.249 7.717 ( -4.198 3.430 -1.478) 5.620 7.777 ( -2.866 -2.193 0.137) 3.611 8.450 ( -3.321 1.664 -0.167) 3.719 8.469 ( -2.410 -0.207 -0.206) 2.428 8.586 ( -2.679 0.486 -1.875) 3.306 8.587 ( -1.912 0.480 -2.451) 3.146 8.806 ( -0.359 4.095 2.165) 4.646 8.851 ( -1.782 0.096 0.025) 1.785 8.939 ( -2.406 2.914 1.056) 3.924 8.986 ( -0.585 -0.933 -0.591) 1.250 9.110 ( 2.101 1.352 -1.210) 2.776 9.163 ( 0.995 -2.302 -1.849) 3.116 9.284 ( -0.625 2.630 1.074) 2.908 9.348 ( -2.789 -3.501 2.043) 4.921 9.469 ( -0.403 1.291 -0.661) 1.506 9.512 ( -0.090 -2.388 -0.788) 2.516 9.711 ( 0.965 -0.251 0.589) 1.158 9.757 ( 0.311 -4.781 0.383) 4.807 9.942 ( 1.237 0.897 0.258) 1.549 9.944 ( 0.990 0.754 0.485) 1.336 10.047 ( -2.732 1.317 -0.069) 3.033 10.081 ( -1.925 -2.276 -0.899) 3.113 10.424 ( -3.022 1.257 0.086) 3.274 10.445 ( -2.715 -0.987 -0.008) 2.889======================= Grid point 156 (87/92) =======================q-point: ( 0.33 0.43 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 0.307 4.169 1.067) 4.314 1.110 ( 0.646 0.473 -0.087) 0.805 1.169 ( -0.009 1.293 -0.415) 1.358 1.175 ( -1.690 0.343 0.577) 1.819 1.334 ( 3.668 1.794 0.131) 4.085 1.362 ( 0.803 -1.054 -0.029) 1.326 1.459 ( 5.534 5.193 -1.765) 7.791 1.546 ( 1.948 -1.730 -0.613) 2.676 1.632 ( 0.431 1.690 -1.148) 2.088 1.666 ( 2.362 -1.637 -1.014) 3.048 1.817 ( 6.212 3.761 0.329) 7.270 1.848 ( 1.277 2.423 1.623) 3.184 1.920 ( -1.649 1.600 3.265) 3.993 1.949 ( -0.933 -2.528 -0.094) 2.696 1.987 ( -0.308 5.627 -0.646) 5.672 2.051 ( -1.186 -2.517 -0.077) 2.783 2.121 ( 4.152 3.668 -2.720) 6.172 2.239 ( 1.867 -5.911 -2.391) 6.644 2.284 ( -0.120 1.322 1.436) 1.956 2.307 ( 0.511 -0.833 1.350) 1.666 2.410 ( -2.434 2.257 -2.507) 4.160 2.450 ( -2.729 -1.364 -1.115) 3.248 2.538 ( -3.769 2.388 -3.158) 5.467 2.565 ( -4.415 -1.197 -2.078) 5.025 2.704 ( -1.986 3.525 -1.149) 4.206 2.756 ( -4.189 -0.180 -1.545) 4.468 2.776 ( -1.806 3.551 4.845) 6.273 2.820 ( -0.125 0.015 1.443) 1.449 2.853 ( -0.509 1.145 0.838) 1.507 2.900 ( 0.077 -1.575 1.724) 2.337 3.032 ( -0.602 -0.036 0.569) 0.829 3.075 ( -0.371 -2.917 -2.007) 3.560 3.335 ( -0.961 0.407 4.287) 4.413 3.347 ( 2.883 -0.222 1.720) 3.364 3.585 ( 0.842 3.726 -2.828) 4.753 3.628 ( -0.350 -1.756 -1.600) 2.401 4.444 ( 3.399 -0.119 -0.604) 3.454 4.471 ( 2.267 -2.236 0.008) 3.185 4.958 ( -0.107 4.219 -0.430) 4.243 5.035 ( -0.264 -3.177 -0.490) 3.225 5.176 ( 0.501 2.323 0.540) 2.437 5.230 ( 0.699 -2.658 0.082) 2.749 5.514 ( 4.691 2.124 0.540) 5.178 5.558 ( 3.625 -2.044 0.597) 4.204 6.040 ( -0.903 1.231 0.360) 1.569 6.140 ( 0.493 -9.243 0.425) 9.266 6.221 ( -3.497 0.760 1.473) 3.870 6.270 ( -2.123 -3.919 0.469) 4.482 6.548 ( -2.110 5.051 -1.069) 5.578 6.645 ( -3.888 -4.569 -1.526) 6.190 6.787 ( -5.985 2.419 -0.162) 6.457 6.825 ( -5.233 -1.829 -0.366) 5.556 7.216 ( -10.342 3.396 3.912) 11.567 7.282 ( -9.328 -3.031 3.978) 10.584 7.620 ( -3.824 5.707 -2.806) 7.421 7.719 ( -2.865 -4.010 -1.902) 5.283 8.389 ( -2.278 2.631 -0.685) 3.547 8.421 ( -2.574 -0.515 -0.227) 2.635 8.523 ( -3.255 -0.072 0.177) 3.261 8.536 ( -0.922 -1.456 -2.585) 3.107 8.820 ( -1.430 4.349 2.790) 5.362 8.831 ( 0.379 3.990 -0.057) 4.008 8.923 ( -1.242 2.841 1.762) 3.567 8.987 ( 0.792 -2.099 0.758) 2.368 9.119 ( 0.210 0.969 -2.777) 2.948 9.143 ( -0.337 -0.908 -1.476) 1.766 9.285 ( -0.090 0.810 0.442) 0.927 9.317 ( -1.929 -2.152 0.944) 3.041 9.462 ( 0.117 0.933 -0.464) 1.049 9.501 ( -0.338 -2.754 -0.587) 2.836 9.716 ( -0.536 -1.395 0.244) 1.514 9.744 ( -1.726 -3.976 0.546) 4.369 9.963 ( 0.108 1.501 -0.306) 1.535 9.966 ( 1.305 1.333 -0.281) 1.886 10.021 ( 0.132 0.185 0.686) 0.723 10.043 ( -1.252 -2.333 -0.327) 2.668 10.369 ( -3.175 1.308 0.125) 3.436 10.393 ( -3.077 -1.247 -0.036) 3.321======================= Grid point 157 (88/92) =======================q-point: ( 0.44 0.43 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 0.056 3.615 1.343) 3.857 1.117 ( 0.250 0.430 -0.133) 0.515 1.155 ( -0.189 0.937 0.121) 0.963 1.169 ( 0.543 -0.273 -0.815) 1.017 1.346 ( -0.021 1.352 0.194) 1.366 1.371 ( -0.264 -1.064 -0.401) 1.168 1.541 ( 1.134 2.539 0.999) 2.955 1.566 ( 1.004 0.324 -0.646) 1.237 1.649 ( 3.597 2.381 -1.717) 4.643 1.688 ( 0.543 -0.821 -1.859) 2.104 1.834 ( -0.158 3.384 -0.309) 3.402 1.860 ( -3.409 2.126 0.264) 4.026 1.940 ( 4.205 4.325 2.123) 6.395 1.995 ( 1.216 -1.659 2.267) 3.061 2.019 ( 3.211 4.088 2.060) 5.591 2.072 ( 1.097 -2.164 1.901) 3.082 2.171 ( 3.923 0.662 -3.005) 4.985 2.211 ( -3.142 -1.477 -3.123) 4.670 2.279 ( -2.705 -0.345 2.457) 3.671 2.301 ( -3.603 -1.825 2.419) 4.708 2.350 ( 1.416 3.015 -4.894) 5.920 2.395 ( -0.600 -1.995 -3.766) 4.304 2.456 ( -1.089 1.328 -1.404) 2.218 2.484 ( -2.451 -1.379 -1.145) 3.037 2.658 ( -1.326 0.723 -1.126) 1.884 2.680 ( -2.366 -0.737 -1.302) 2.800 2.793 ( -1.496 4.601 3.563) 6.008 2.836 ( 1.641 4.693 -0.489) 4.996 2.873 ( -0.464 -1.969 3.465) 4.013 2.921 ( 0.840 -2.921 0.490) 3.079 3.016 ( -1.724 0.703 0.550) 1.941 3.046 ( 0.902 -0.860 -3.239) 3.470 3.369 ( -0.365 2.599 5.059) 5.700 3.426 ( 1.748 -4.156 4.133) 6.117 3.550 ( -1.395 5.167 -2.596) 5.949 3.610 ( 1.401 -2.894 -4.272) 5.347 4.491 ( 1.972 -0.270 0.247) 2.006 4.504 ( 0.939 -1.207 0.364) 1.573 4.965 ( 0.869 4.084 0.036) 4.176 5.019 ( -0.786 -0.888 -1.567) 1.965 5.171 ( -0.533 0.529 -0.098) 0.758 5.208 ( -2.096 -2.450 -0.840) 3.332 5.602 ( 3.469 1.432 0.715) 3.820 5.625 ( 2.519 -0.408 -0.046) 2.553 6.065 ( 2.972 1.758 1.247) 3.671 6.162 ( -3.953 1.880 -0.135) 4.380 6.182 ( 2.463 -9.707 1.671) 10.153 6.241 ( -1.861 -5.777 0.284) 6.076 6.524 ( -0.023 2.230 0.948) 2.423 6.571 ( -3.078 -2.476 0.532) 3.986 6.688 ( -3.441 2.070 -1.069) 4.156 6.725 ( -3.539 -1.776 -2.395) 4.627 7.126 ( -4.090 4.471 4.654) 7.641 7.197 ( -4.156 -2.002 2.692) 5.341 7.546 ( -1.318 3.895 -1.494) 4.375 7.639 ( -2.335 -4.853 -4.127) 6.785 8.368 ( 0.249 2.638 -0.060) 2.650 8.387 ( -1.200 0.947 -0.132) 1.534 8.481 ( -1.717 -0.524 0.647) 1.908 8.508 ( 0.835 -2.875 -2.393) 3.832 8.821 ( -2.029 5.585 2.801) 6.569 8.842 ( 0.914 5.026 -0.468) 5.130 8.934 ( -0.486 3.408 3.243) 4.729 9.019 ( 0.889 -3.628 1.116) 3.898 9.074 ( -0.094 2.627 -3.214) 4.152 9.120 ( -0.692 -2.462 -2.012) 3.253 9.289 ( -0.030 0.187 0.400) 0.442 9.303 ( -0.533 -1.066 0.090) 1.195 9.464 ( 0.457 0.207 0.103) 0.512 9.490 ( -0.260 -2.420 -0.611) 2.509 9.709 ( -0.295 -2.061 0.207) 2.092 9.721 ( -1.039 -3.041 0.031) 3.214 9.953 ( -0.515 1.131 0.095) 1.246 9.970 ( 0.178 -0.077 -1.200) 1.215 10.041 ( 0.281 0.013 0.777) 0.826 10.045 ( 1.076 -0.320 0.342) 1.173 10.328 ( -1.252 0.561 0.230) 1.391 10.345 ( -1.897 -1.147 -0.269) 2.233======================= Grid point 158 (89/92) =======================q-point: (-0.44 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( -0.468 2.810 1.082) 3.047 1.118 ( 0.279 0.775 -0.252) 0.862 1.163 ( 0.843 1.306 -0.962) 1.828 1.175 ( 1.593 -0.094 -1.232) 2.016 1.344 ( -1.784 1.175 0.475) 2.188 1.357 ( -0.291 -0.211 0.821) 0.896 1.554 ( -1.122 2.046 -0.143) 2.338 1.565 ( 0.626 0.905 -0.613) 1.259 1.635 ( -3.266 2.165 -0.698) 3.980 1.669 ( -1.060 -0.871 -0.326) 1.410 1.827 ( -0.608 3.185 0.620) 3.301 1.851 ( 0.474 1.458 0.766) 1.713 1.980 ( -3.320 2.480 -0.817) 4.224 2.014 ( 1.068 -1.195 -0.110) 1.607 2.044 ( -4.852 4.329 -0.663) 6.536 2.098 ( -0.239 0.435 2.609) 2.655 2.134 ( -1.589 0.282 -0.929) 1.862 2.169 ( -0.551 -3.062 0.414) 3.138 2.251 ( -0.723 2.498 3.224) 4.142 2.306 ( 0.869 -1.517 2.595) 3.129 2.341 ( 0.832 0.355 -2.700) 2.847 2.375 ( 2.208 -2.373 -3.460) 4.741 2.449 ( 1.799 1.901 -0.333) 2.638 2.490 ( 4.045 -1.637 -1.233) 4.535 2.653 ( 0.673 -0.675 -0.583) 1.117 2.659 ( 2.023 -1.214 0.110) 2.361 2.799 ( -1.536 5.156 2.649) 5.997 2.860 ( 2.559 5.401 -2.362) 6.426 2.887 ( -1.628 -3.127 2.387) 4.258 2.942 ( 1.892 -3.462 -1.082) 4.091 3.001 ( -0.438 2.715 0.918) 2.900 3.045 ( 2.411 -0.703 -2.608) 3.621 3.408 ( -1.843 2.282 3.583) 4.631 3.472 ( 0.907 -3.950 -0.872) 4.145 3.503 ( -2.508 5.386 1.956) 6.255 3.591 ( 2.204 -2.604 -4.077) 5.316 4.499 ( -1.641 -0.346 -0.392) 1.722 4.508 ( -0.491 -1.266 -0.035) 1.359 4.974 ( -1.545 2.493 -0.356) 2.954 4.988 ( 0.521 1.322 0.459) 1.494 5.157 ( -2.284 -0.449 1.515) 2.778 5.184 ( 0.133 -2.555 1.113) 2.790 5.617 ( -2.767 0.523 -0.361) 2.839 5.621 ( -2.340 0.080 0.113) 2.344 6.092 ( -2.370 2.109 -1.340) 3.444 6.151 ( 3.922 2.268 0.959) 4.631 6.197 ( -0.963 -7.708 0.148) 7.769 6.261 ( 4.217 -7.572 -1.298) 8.764 6.547 ( 0.405 1.532 -0.401) 1.634 6.578 ( 3.839 -1.586 -0.037) 4.154 6.679 ( 2.524 0.644 0.235) 2.615 6.689 ( 3.233 -0.837 -0.516) 3.379 7.175 ( 3.750 3.922 4.277) 6.909 7.196 ( 3.302 2.164 -0.995) 4.071 7.557 ( 1.696 -1.537 2.576) 3.446 7.574 ( 0.354 -2.965 -3.526) 4.621 8.372 ( 0.021 2.266 -0.574) 2.338 8.388 ( 1.846 1.013 -0.146) 2.111 8.478 ( 0.771 0.129 0.341) 0.853 8.516 ( 3.041 -3.378 -2.652) 5.262 8.810 ( -2.129 6.966 2.642) 7.748 8.850 ( 0.283 3.886 -0.148) 3.899 8.964 ( -0.960 3.138 3.318) 4.667 9.018 ( 1.583 -0.029 -2.230) 2.734 9.063 ( -1.686 -0.851 -0.402) 1.931 9.098 ( 1.411 -2.385 -0.962) 2.934 9.293 ( -0.118 0.096 0.938) 0.951 9.298 ( 0.079 -0.624 -0.394) 0.742 9.470 ( -0.247 0.106 -0.169) 0.318 9.489 ( 1.321 -2.314 -0.752) 2.769 9.705 ( -0.399 -1.718 0.444) 1.819 9.724 ( 1.474 -3.511 -0.157) 3.811 9.951 ( -0.219 0.998 0.539) 1.156 9.963 ( 0.246 -0.061 -0.678) 0.724 10.040 ( -1.218 0.778 0.570) 1.554 10.056 ( 0.100 -0.876 -0.409) 0.972 10.332 ( 1.184 0.039 -0.064) 1.186 10.340 ( 2.057 -0.784 0.019) 2.201======================= Grid point 159 (90/92) =======================q-point: (-0.33 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( -0.241 3.015 -0.616) 3.087 1.118 ( 0.084 0.999 -0.601) 1.169 1.165 ( -0.383 2.281 -0.160) 2.319 1.191 ( 1.098 -0.495 -0.790) 1.441 1.326 ( -1.706 1.468 0.831) 2.399 1.352 ( -0.850 -0.134 0.770) 1.155 1.448 ( -6.959 4.569 -0.879) 8.371 1.547 ( -2.968 -2.993 -0.845) 4.298 1.596 ( -3.073 4.669 1.625) 5.821 1.655 ( 0.147 -1.264 0.645) 1.426 1.810 ( -2.401 0.476 0.070) 2.449 1.860 ( -2.227 -2.178 1.174) 3.329 1.906 ( -3.571 6.447 2.150) 7.677 1.965 ( -2.025 2.570 -0.374) 3.293 2.011 ( -0.476 -0.092 -1.558) 1.631 2.058 ( 0.722 -0.952 -2.265) 2.561 2.116 ( 0.608 2.531 -0.430) 2.638 2.192 ( -0.957 -4.150 2.412) 4.894 2.301 ( -1.445 1.394 -0.398) 2.047 2.320 ( 0.605 0.392 0.861) 1.122 2.346 ( 2.297 1.593 1.153) 3.023 2.405 ( 3.083 -3.725 2.194) 5.310 2.520 ( 5.068 2.751 -0.310) 5.775 2.562 ( 4.650 -1.711 -0.475) 4.977 2.674 ( 1.504 1.921 0.627) 2.519 2.722 ( 3.599 -2.770 0.963) 4.643 2.800 ( -0.934 4.477 1.965) 4.978 2.868 ( 0.224 -0.796 -1.673) 1.867 2.884 ( 2.303 4.521 -2.319) 5.578 2.954 ( 1.457 -1.874 -2.283) 3.293 3.017 ( 0.643 1.559 0.973) 1.947 3.071 ( 2.688 -2.709 -1.395) 4.063 3.361 ( -3.815 4.782 -0.563) 6.143 3.429 ( -3.245 -5.235 -2.375) 6.601 3.518 ( 0.466 5.502 2.490) 6.057 3.616 ( 2.826 -2.913 -0.536) 4.094 4.442 ( -4.050 0.177 -0.409) 4.074 4.474 ( -2.792 -2.760 -0.336) 3.940 4.952 ( -0.242 3.267 0.100) 3.278 5.013 ( 0.496 -2.008 1.561) 2.591 5.153 ( -0.568 1.668 2.317) 2.911 5.200 ( -1.223 -2.475 2.704) 3.864 5.531 ( -4.809 1.555 -0.957) 5.144 5.567 ( -2.962 -1.651 -0.086) 3.392 6.063 ( 0.782 1.461 -1.659) 2.345 6.153 ( -0.873 -7.108 -0.510) 7.180 6.249 ( 4.212 -0.192 -1.138) 4.368 6.302 ( 2.700 -3.970 -2.355) 5.347 6.557 ( 2.382 3.912 -1.843) 4.937 6.641 ( 3.753 -4.180 -1.035) 5.712 6.769 ( 5.927 2.162 1.309) 6.443 6.799 ( 5.980 -1.578 1.982) 6.495 7.291 ( 9.667 3.699 -3.060) 10.793 7.319 ( 8.057 1.754 1.423) 8.368 7.586 ( 4.088 1.034 -0.493) 4.246 7.650 ( 3.500 -4.369 4.440) 7.145 8.381 ( 1.694 2.491 -0.129) 3.015 8.423 ( 2.408 -1.520 -0.203) 2.855 8.510 ( 2.369 1.722 -0.146) 2.932 8.552 ( 3.953 -2.424 -2.611) 5.322 8.809 ( -0.728 6.441 2.025) 6.791 8.847 ( -0.604 2.715 0.235) 2.792 8.962 ( 0.415 2.089 -1.129) 2.410 9.007 ( -1.945 -2.236 -0.971) 3.119 9.065 ( 1.787 2.358 1.507) 3.320 9.116 ( 0.140 -2.307 0.806) 2.448 9.295 ( 0.334 0.944 -0.224) 1.026 9.315 ( 1.587 -0.105 0.866) 1.812 9.466 ( 0.434 0.046 -0.720) 0.842 9.500 ( 0.362 -3.461 -0.445) 3.508 9.712 ( 0.518 -0.544 0.480) 0.892 9.757 ( 2.282 -4.579 -0.457) 5.136 9.954 ( -0.480 1.357 0.690) 1.596 9.960 ( -0.224 0.702 -0.009) 0.737 10.024 ( -0.624 0.844 0.264) 1.083 10.052 ( 0.869 -2.152 -0.894) 2.487 10.372 ( 3.091 0.942 -0.149) 3.234 10.391 ( 3.205 -1.133 0.108) 3.401======================= Grid point 160 (91/92) =======================q-point: (-0.22 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( -2.990 5.445 -0.389) 6.224 1.106 ( -0.757 4.875 -0.719) 4.985 1.124 ( -2.378 2.841 0.930) 3.820 1.189 ( -1.105 -1.907 0.871) 2.370 1.286 ( -0.504 3.423 -1.866) 3.931 1.350 ( -0.265 -1.696 -0.155) 1.723 1.404 ( 0.587 2.141 1.366) 2.606 1.486 ( -3.178 -4.285 0.542) 5.362 1.563 ( -3.100 4.211 3.838) 6.486 1.653 ( -1.602 -3.113 -1.740) 3.909 1.735 ( -3.057 2.103 -0.949) 3.829 1.808 ( -4.528 -4.830 3.412) 7.448 1.895 ( -0.880 6.994 0.164) 7.051 1.950 ( 0.113 1.435 -0.248) 1.461 2.024 ( 2.497 4.784 -1.409) 5.577 2.070 ( 0.380 -0.158 0.618) 0.743 2.128 ( 2.966 -0.125 -2.465) 3.859 2.193 ( -1.715 -2.751 1.956) 3.786 2.271 ( -1.463 1.318 0.085) 1.971 2.303 ( 0.540 -2.324 -1.460) 2.798 2.439 ( 3.515 2.231 2.802) 5.019 2.483 ( 2.758 -1.752 2.581) 4.164 2.594 ( 3.216 3.178 0.274) 4.529 2.629 ( 3.220 -1.066 -0.244) 3.401 2.709 ( 0.430 3.654 2.299) 4.339 2.777 ( 1.340 -2.446 0.260) 2.801 2.814 ( 0.395 1.751 1.771) 2.521 2.849 ( -0.238 -2.102 -1.142) 2.404 2.921 ( 5.557 5.565 -3.948) 8.800 2.954 ( 2.095 2.024 -3.042) 4.212 3.030 ( 0.091 1.431 0.162) 1.443 3.098 ( 1.545 -4.765 -1.187) 5.148 3.288 ( -3.846 0.777 -0.439) 3.948 3.342 ( -4.032 -4.605 -1.145) 6.227 3.554 ( 1.470 7.240 1.690) 7.578 3.666 ( 3.173 -1.967 -0.369) 3.752 4.365 ( -4.563 0.234 1.053) 4.689 4.420 ( -2.998 -4.401 0.556) 5.354 4.968 ( 1.481 3.609 0.648) 3.955 5.037 ( 0.811 -2.618 1.008) 2.920 5.164 ( -0.457 1.544 0.514) 1.690 5.194 ( -1.528 -1.222 1.439) 2.428 5.462 ( -1.598 2.141 -0.605) 2.740 5.534 ( -0.203 -4.236 -0.790) 4.314 6.077 ( 2.044 0.653 -1.091) 2.407 6.143 ( 0.313 -6.578 -0.592) 6.612 6.299 ( 3.539 -1.098 -1.389) 3.957 6.319 ( 2.305 -2.299 -1.976) 3.808 6.585 ( 2.137 5.362 -0.798) 5.827 6.688 ( 2.099 -4.453 0.142) 4.925 6.866 ( 3.064 1.987 0.732) 3.725 6.898 ( 2.994 -1.804 0.754) 3.576 7.437 ( 9.508 3.516 -2.783) 10.512 7.461 ( 7.115 1.362 -0.697) 7.278 7.689 ( 6.415 1.724 0.869) 6.699 7.750 ( 3.241 -3.552 2.695) 5.512 8.433 ( 3.410 1.909 1.050) 4.046 8.467 ( 2.219 -1.391 0.219) 2.628 8.546 ( 1.533 3.064 0.359) 3.445 8.595 ( 3.632 -1.290 -1.692) 4.209 8.823 ( -0.082 3.134 0.697) 3.211 8.843 ( 0.247 1.955 0.570) 2.052 8.958 ( -0.379 2.014 -0.856) 2.221 8.980 ( 0.180 -0.714 -0.077) 0.741 9.088 ( -0.646 0.336 0.853) 1.121 9.125 ( -0.512 -2.335 1.632) 2.894 9.310 ( 1.893 4.054 -1.159) 4.622 9.364 ( 2.653 -0.638 0.502) 2.774 9.468 ( 0.780 -0.989 -0.681) 1.432 9.501 ( 0.358 -3.467 0.255) 3.495 9.717 ( -0.788 0.390 -0.015) 0.879 9.774 ( -0.058 -5.290 -1.154) 5.414 9.945 ( -0.824 1.126 0.099) 1.399 9.951 ( -0.418 0.525 -0.097) 0.678 10.041 ( 1.966 1.354 0.473) 2.434 10.073 ( 2.055 -2.241 -0.304) 3.056 10.425 ( 2.863 1.077 -0.029) 3.059 10.445 ( 2.574 -0.966 0.062) 2.750======================= Grid point 161 (92/92) =======================q-point: (-0.11 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( -1.426 10.393 1.656) 10.620 1.090 ( -1.163 6.785 0.362) 6.894 1.121 ( 0.199 0.394 1.050) 1.139 1.199 ( 0.275 -1.846 3.367) 3.850 1.270 ( 0.036 1.094 -0.917) 1.427 1.333 ( -1.264 -5.194 -1.100) 5.458 1.422 ( -0.375 0.737 -0.893) 1.217 1.452 ( -0.336 -1.832 -1.657) 2.493 1.531 ( -3.847 2.663 0.313) 4.689 1.583 ( -1.221 -2.065 -1.402) 2.779 1.723 ( -0.748 3.098 2.164) 3.852 1.788 ( -3.054 -2.800 5.102) 6.572 1.876 ( 0.334 4.047 -1.711) 4.407 1.920 ( -0.901 0.324 -4.506) 4.607 2.066 ( 2.563 5.172 0.614) 5.804 2.080 ( 0.057 3.252 0.332) 3.269 2.163 ( 1.644 -3.143 0.496) 3.582 2.177 ( -0.542 -2.007 0.958) 2.289 2.250 ( -1.215 1.502 -0.200) 1.942 2.306 ( 0.859 -4.001 -2.051) 4.577 2.520 ( 2.641 2.884 2.179) 4.477 2.551 ( 1.583 0.088 2.600) 3.045 2.639 ( 1.670 3.926 0.194) 4.271 2.668 ( 1.200 0.578 0.030) 1.333 2.738 ( -0.925 4.391 4.284) 6.203 2.773 ( 0.010 0.526 -1.984) 2.053 2.823 ( 0.363 -0.557 -1.356) 1.510 2.861 ( 0.623 -2.705 1.890) 3.359 2.963 ( 3.042 6.436 -3.624) 7.988 2.984 ( 2.722 4.647 -0.935) 5.466 3.030 ( 0.705 0.958 -0.802) 1.434 3.099 ( 1.051 -6.342 -2.151) 6.779 3.226 ( -1.187 -3.815 -1.400) 4.233 3.266 ( -5.012 -6.738 1.271) 8.493 3.610 ( 2.217 9.334 2.196) 9.842 3.709 ( 2.311 1.251 -1.296) 2.930 4.321 ( -2.544 -0.524 3.086) 4.034 4.390 ( -1.709 -6.177 1.404) 6.561 5.011 ( 2.177 3.271 1.266) 4.128 5.062 ( 0.883 -1.190 0.881) 1.724 5.153 ( 0.311 1.846 -1.759) 2.569 5.184 ( 0.157 -0.892 -1.404) 1.670 5.474 ( 3.488 0.509 0.005) 3.525 5.541 ( 1.978 -5.508 -0.949) 5.929 6.105 ( 2.342 0.082 -0.702) 2.446 6.146 ( 0.690 -4.440 -0.687) 4.545 6.346 ( 2.172 -1.327 -0.019) 2.546 6.355 ( 3.849 -2.273 -1.314) 4.659 6.613 ( 1.832 5.661 0.029) 5.950 6.713 ( -0.127 -3.294 1.006) 3.447 6.883 ( -1.184 0.206 -0.346) 1.251 6.914 ( -1.064 -2.350 -0.556) 2.639 7.541 ( 2.169 3.711 0.973) 4.407 7.549 ( 5.638 2.470 -2.401) 6.607 7.792 ( 4.159 -0.162 -0.229) 4.168 7.814 ( 2.366 -2.117 -0.073) 3.176 8.488 ( 1.719 2.487 0.232) 3.033 8.514 ( 1.779 -0.418 1.332) 2.261 8.579 ( 1.926 4.231 1.647) 4.932 8.649 ( 3.319 -2.296 -0.392) 4.054 8.813 ( -0.530 3.051 -0.389) 3.121 8.854 ( -0.673 -0.881 0.363) 1.167 8.941 ( -1.184 3.054 1.884) 3.778 8.991 ( 0.292 -1.623 1.038) 1.948 9.093 ( 1.120 0.518 0.050) 1.235 9.127 ( -0.157 -2.490 -0.156) 2.500 9.305 ( -1.140 5.352 -1.995) 5.825 9.390 ( -0.514 -2.218 -0.935) 2.462 9.485 ( 1.580 0.147 0.309) 1.617 9.535 ( 3.296 -3.405 -0.299) 4.748 9.674 ( -3.480 0.309 -0.564) 3.539 9.719 ( -4.439 -4.040 -0.763) 6.051 9.940 ( 0.508 0.642 -0.601) 1.015 9.947 ( 0.379 -0.107 -0.707) 0.809 10.086 ( 2.013 0.999 0.850) 2.403 10.109 ( 1.886 -1.560 0.044) 2.448 10.466 ( 1.698 0.663 -0.010) 1.823 10.478 ( 0.941 -0.678 0.210) 1.179=================== 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 3/24570 10.0 30.858 42.980 37.020 0.000 -0.678 0.000 3/24570 20.0 6.389 9.935 6.900 0.000 -0.121 0.000 3/24570 30.0 3.144 4.927 3.217 0.000 -0.041 0.000 3/24570 40.0 2.096 3.272 2.079 0.000 -0.024 0.000 3/24570 50.0 1.591 2.470 1.545 0.000 -0.017 0.000 3/24570 60.0 1.293 1.996 1.235 0.000 -0.014 0.000 3/24570 70.0 1.095 1.680 1.031 0.000 -0.013 0.000 3/24570 80.0 0.953 1.455 0.887 0.000 -0.011 0.000 3/24570 90.0 0.847 1.285 0.779 0.000 -0.011 0.000 3/24570 100.0 0.764 1.152 0.695 0.000 -0.010 0.000 3/24570 110.0 0.697 1.046 0.628 0.000 -0.010 0.000 3/24570 120.0 0.641 0.958 0.574 0.000 -0.009 0.000 3/24570 130.0 0.594 0.884 0.528 0.000 -0.009 0.000 3/24570 140.0 0.554 0.821 0.489 0.000 -0.008 0.000 3/24570 150.0 0.519 0.767 0.456 0.000 -0.008 0.000 3/24570 160.0 0.488 0.720 0.427 0.000 -0.008 0.000 3/24570 170.0 0.461 0.678 0.401 0.000 -0.007 0.000 3/24570 180.0 0.437 0.641 0.379 0.000 -0.007 0.000 3/24570 190.0 0.415 0.608 0.358 0.000 -0.007 0.000 3/24570 200.0 0.396 0.578 0.340 0.000 -0.007 0.000 3/24570 210.0 0.378 0.551 0.324 0.000 -0.006 0.000 3/24570 220.0 0.361 0.526 0.309 0.000 -0.006 0.000 3/24570 230.0 0.346 0.504 0.296 0.000 -0.006 0.000 3/24570 240.0 0.332 0.483 0.283 0.000 -0.006 0.000 3/24570 250.0 0.320 0.464 0.272 0.000 -0.006 0.000 3/24570 260.0 0.308 0.446 0.262 0.000 -0.005 0.000 3/24570 270.0 0.297 0.430 0.252 0.000 -0.005 0.000 3/24570 280.0 0.287 0.415 0.243 0.000 -0.005 0.000 3/24570 290.0 0.277 0.401 0.235 0.000 -0.005 0.000 3/24570 300.0 0.268 0.388 0.227 0.000 -0.005 0.000 3/24570 310.0 0.260 0.375 0.219 0.000 -0.005 0.000 3/24570 320.0 0.252 0.364 0.213 0.000 -0.005 0.000 3/24570 330.0 0.245 0.353 0.206 0.000 -0.004 0.000 3/24570 340.0 0.238 0.343 0.200 0.000 -0.004 0.000 3/24570 350.0 0.231 0.333 0.194 0.000 -0.004 0.000 3/24570 360.0 0.225 0.324 0.189 0.000 -0.004 0.000 3/24570 370.0 0.219 0.315 0.184 0.000 -0.004 0.000 3/24570 380.0 0.213 0.307 0.179 0.000 -0.004 0.000 3/24570 390.0 0.208 0.299 0.174 0.000 -0.004 0.000 3/24570 400.0 0.203 0.292 0.170 0.000 -0.004 0.000 3/24570 410.0 0.198 0.285 0.166 0.000 -0.004 0.000 3/24570 420.0 0.193 0.278 0.162 0.000 -0.004 0.000 3/24570 430.0 0.189 0.272 0.158 0.000 -0.004 0.000 3/24570 440.0 0.185 0.265 0.155 0.000 -0.003 0.000 3/24570 450.0 0.181 0.260 0.151 0.000 -0.003 0.000 3/24570 460.0 0.177 0.254 0.148 0.000 -0.003 0.000 3/24570 470.0 0.173 0.249 0.145 0.000 -0.003 0.000 3/24570 480.0 0.170 0.244 0.142 0.000 -0.003 0.000 3/24570 490.0 0.166 0.239 0.139 0.000 -0.003 0.000 3/24570 500.0 0.163 0.234 0.136 0.000 -0.003 0.000 3/24570 510.0 0.160 0.229 0.133 0.000 -0.003 0.000 3/24570 520.0 0.157 0.225 0.131 0.000 -0.003 0.000 3/24570 530.0 0.154 0.221 0.128 0.000 -0.003 0.000 3/24570 540.0 0.151 0.217 0.126 0.000 -0.003 0.000 3/24570 550.0 0.148 0.213 0.124 0.000 -0.003 0.000 3/24570 560.0 0.146 0.209 0.122 0.000 -0.003 0.000 3/24570 570.0 0.143 0.205 0.119 0.000 -0.003 0.000 3/24570 580.0 0.141 0.202 0.117 0.000 -0.003 0.000 3/24570 590.0 0.138 0.198 0.115 0.000 -0.003 0.000 3/24570 600.0 0.136 0.195 0.113 0.000 -0.003 0.000 3/24570 610.0 0.134 0.192 0.112 0.000 -0.003 0.000 3/24570 620.0 0.132 0.189 0.110 0.000 -0.003 0.000 3/24570 630.0 0.130 0.186 0.108 0.000 -0.002 0.000 3/24570 640.0 0.128 0.183 0.106 0.000 -0.002 0.000 3/24570 650.0 0.126 0.180 0.105 0.000 -0.002 0.000 3/24570 660.0 0.124 0.177 0.103 0.000 -0.002 0.000 3/24570 670.0 0.122 0.175 0.102 0.000 -0.002 0.000 3/24570 680.0 0.120 0.172 0.100 0.000 -0.002 0.000 3/24570 690.0 0.119 0.170 0.099 0.000 -0.002 0.000 3/24570 700.0 0.117 0.167 0.097 0.000 -0.002 0.000 3/24570 710.0 0.115 0.165 0.096 0.000 -0.002 0.000 3/24570 720.0 0.114 0.163 0.095 0.000 -0.002 0.000 3/24570 730.0 0.112 0.161 0.093 0.000 -0.002 0.000 3/24570 740.0 0.111 0.158 0.092 0.000 -0.002 0.000 3/24570 750.0 0.109 0.156 0.091 0.000 -0.002 0.000 3/24570 760.0 0.108 0.154 0.090 0.000 -0.002 0.000 3/24570 770.0 0.106 0.152 0.088 0.000 -0.002 0.000 3/24570 780.0 0.105 0.150 0.087 0.000 -0.002 0.000 3/24570 790.0 0.104 0.148 0.086 0.000 -0.002 0.000 3/24570 800.0 0.102 0.147 0.085 0.000 -0.002 0.000 3/24570 810.0 0.101 0.145 0.084 0.000 -0.002 0.000 3/24570 820.0 0.100 0.143 0.083 0.000 -0.002 0.000 3/24570 830.0 0.099 0.141 0.082 0.000 -0.002 0.000 3/24570 840.0 0.098 0.140 0.081 0.000 -0.002 0.000 3/24570 850.0 0.096 0.138 0.080 0.000 -0.002 0.000 3/24570 860.0 0.095 0.136 0.079 0.000 -0.002 0.000 3/24570 870.0 0.094 0.135 0.078 0.000 -0.002 0.000 3/24570 880.0 0.093 0.133 0.077 0.000 -0.002 0.000 3/24570 890.0 0.092 0.132 0.077 0.000 -0.002 0.000 3/24570 900.0 0.091 0.130 0.076 0.000 -0.002 0.000 3/24570 910.0 0.090 0.129 0.075 0.000 -0.002 0.000 3/24570 920.0 0.089 0.127 0.074 0.000 -0.002 0.000 3/24570 930.0 0.088 0.126 0.073 0.000 -0.002 0.000 3/24570 940.0 0.087 0.125 0.072 0.000 -0.002 0.000 3/24570 950.0 0.086 0.123 0.072 0.000 -0.002 0.000 3/24570 960.0 0.085 0.122 0.071 0.000 -0.002 0.000 3/24570 970.0 0.085 0.121 0.070 0.000 -0.002 0.000 3/24570 980.0 0.084 0.120 0.070 0.000 -0.002 0.000 3/24570 990.0 0.083 0.119 0.069 0.000 -0.002 0.000 3/24570 1000.0 0.082 0.117 0.068 0.000 -0.002 0.000 3/24570Thermal conductivity related properties were written into "kappa-m975.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:57:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | 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