----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:54:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.581329500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.792896250000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.561051170000001 Atomic positions (fractional): *1 Mg 0.69952293869703 0.45163528896124 0.05703412040476 24.305 *2 Mg 0.94223043322508 0.74950543313494 0.80768430401540 24.305 3 Mg 0.94223043322508 0.75049456686506 0.30768430401540 24.305 4 Mg 0.44223043322508 0.74950543313494 0.69231569598460 24.305 5 Mg 0.44223043322508 0.75049456686506 0.19231569598460 24.305 6 Mg 0.19952293869704 0.45163528896124 0.44296587959524 24.305 7 Mg 0.30047706130296 0.95163528896124 0.44296587959524 24.305 8 Mg 0.55776956677492 0.25049456686506 0.30768430401540 24.305 9 Mg 0.55776956677492 0.24950543313494 0.80768430401540 24.305 10 Mg 0.30047706130296 0.54836471103876 0.94296587959524 24.305 11 Mg 0.69952293869703 0.04836471103876 0.55703412040476 24.305 12 Mg 0.80047706130297 0.54836471103876 0.55703412040476 24.305 13 Mg 0.05776956677492 0.24950543313494 0.69231569598460 24.305 14 Mg 0.05776956677492 0.25049456686506 0.19231569598460 24.305 15 Mg 0.19952293869704 0.04836471103876 0.94296587959524 24.305 16 Mg 0.80047706130297 0.95163528896124 0.05703412040476 24.305 *17 B 0.64286909735564 0.53898287260083 0.80117663625951 10.811 18 B 0.64286909735564 0.96101712739917 0.30117663625951 10.811 19 B 0.85713090264436 0.46101712739917 0.30117663625951 10.811 20 B 0.35713090264436 0.46101712739917 0.19882336374049 10.811 21 B 0.35713090264436 0.03898287260083 0.69882336374049 10.811 22 B 0.14286909735564 0.96101712739917 0.19882336374049 10.811 23 B 0.85713090264436 0.03898287260083 0.80117663625951 10.811 24 B 0.14286909735564 0.53898287260083 0.69882336374049 10.811 *25 N 0.06923781263222 0.44259139509889 0.62204931200817 14.007 26 N 0.93076218736778 0.94259139509889 0.87795068799183 14.007 *27 N 0.29372008424492 0.14092494156478 0.77412173287923 14.007 28 N 0.70627991575508 0.85907505843523 0.22587826712077 14.007 29 N 0.70627991575508 0.64092494156477 0.72587826712077 14.007 30 N 0.56923781263222 0.44259139509889 0.87795068799183 14.007 31 N 0.29372008424492 0.35907505843523 0.27412173287923 14.007 32 N 0.93076218736778 0.55740860490111 0.37795068799183 14.007 33 N 0.20627991575508 0.64092494156477 0.77412173287923 14.007 34 N 0.43076218736778 0.55740860490111 0.12204931200817 14.007 35 N 0.20627991575508 0.85907505843523 0.27412173287923 14.007 36 N 0.79372008424492 0.35907505843523 0.22587826712077 14.007 37 N 0.43076218736778 0.94259139509889 0.62204931200817 14.007 38 N 0.79372008424492 0.14092494156478 0.72587826712077 14.007 39 N 0.56923781263222 0.05740860490111 0.37795068799183 14.007 40 N 0.06923781263222 0.05740860490111 0.12204931200817 14.007 *41 Cl 0.43858404476546 0.65786920717044 0.45831505259984 35.453 42 Cl 0.06141595523454 0.15786920717044 0.45831505259984 35.453 43 Cl 0.56141595523454 0.15786920717044 0.04168494740016 35.453 44 Cl 0.43858404476546 0.84213079282956 0.95831505259984 35.453 45 Cl 0.56141595523454 0.34213079282956 0.54168494740016 35.453 46 Cl 0.06141595523454 0.34213079282956 0.95831505259984 35.453 47 Cl 0.93858404476546 0.84213079282956 0.54168494740016 35.453 48 Cl 0.93858404476546 0.65786920717044 0.04168494740016 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.581329500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.792896250000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.561051170000001 Atomic positions (fractional): *1 Mg 0.69952293869703 0.45163528896124 0.05703412040476 24.305 > 1 *2 Mg 0.94223043322508 0.74950543313494 0.80768430401540 24.305 > 2 3 Mg 0.94223043322508 0.75049456686506 0.30768430401540 24.305 > 3 4 Mg 0.44223043322508 0.74950543313494 0.69231569598460 24.305 > 4 5 Mg 0.44223043322508 0.75049456686506 0.19231569598460 24.305 > 5 6 Mg 0.19952293869704 0.45163528896124 0.44296587959524 24.305 > 6 7 Mg 0.30047706130296 0.95163528896124 0.44296587959524 24.305 > 7 8 Mg 0.55776956677492 0.25049456686506 0.30768430401540 24.305 > 8 9 Mg 0.55776956677492 0.24950543313494 0.80768430401540 24.305 > 9 10 Mg 0.30047706130296 0.54836471103876 0.94296587959524 24.305 > 10 11 Mg 0.69952293869703 0.04836471103876 0.55703412040476 24.305 > 11 12 Mg 0.80047706130297 0.54836471103876 0.55703412040476 24.305 > 12 13 Mg 0.05776956677492 0.24950543313494 0.69231569598460 24.305 > 13 14 Mg 0.05776956677492 0.25049456686506 0.19231569598460 24.305 > 14 15 Mg 0.19952293869704 0.04836471103876 0.94296587959524 24.305 > 15 16 Mg 0.80047706130297 0.95163528896124 0.05703412040476 24.305 > 16 *17 B 0.64286909735564 0.53898287260083 0.80117663625951 10.811 > 17 18 B 0.64286909735564 0.96101712739917 0.30117663625951 10.811 > 18 19 B 0.85713090264436 0.46101712739917 0.30117663625951 10.811 > 19 20 B 0.35713090264436 0.46101712739917 0.19882336374049 10.811 > 20 21 B 0.35713090264436 0.03898287260083 0.69882336374049 10.811 > 21 22 B 0.14286909735564 0.96101712739917 0.19882336374049 10.811 > 22 23 B 0.85713090264436 0.03898287260083 0.80117663625951 10.811 > 23 24 B 0.14286909735564 0.53898287260083 0.69882336374049 10.811 > 24 *25 N 0.06923781263222 0.44259139509889 0.62204931200817 14.007 > 25 26 N 0.93076218736778 0.94259139509889 0.87795068799183 14.007 > 26 *27 N 0.29372008424492 0.14092494156478 0.77412173287923 14.007 > 27 28 N 0.70627991575508 0.85907505843523 0.22587826712077 14.007 > 28 29 N 0.70627991575508 0.64092494156477 0.72587826712077 14.007 > 29 30 N 0.56923781263222 0.44259139509889 0.87795068799183 14.007 > 30 31 N 0.29372008424492 0.35907505843523 0.27412173287923 14.007 > 31 32 N 0.93076218736778 0.55740860490111 0.37795068799183 14.007 > 32 33 N 0.20627991575508 0.64092494156477 0.77412173287923 14.007 > 33 34 N 0.43076218736778 0.55740860490111 0.12204931200817 14.007 > 34 35 N 0.20627991575508 0.85907505843523 0.27412173287923 14.007 > 35 36 N 0.79372008424492 0.35907505843523 0.22587826712077 14.007 > 36 37 N 0.43076218736778 0.94259139509889 0.62204931200817 14.007 > 37 38 N 0.79372008424492 0.14092494156478 0.72587826712077 14.007 > 38 39 N 0.56923781263222 0.05740860490111 0.37795068799183 14.007 > 39 40 N 0.06923781263222 0.05740860490111 0.12204931200817 14.007 > 40 *41 Cl 0.43858404476546 0.65786920717044 0.45831505259984 35.453 > 41 42 Cl 0.06141595523454 0.15786920717044 0.45831505259984 35.453 > 42 43 Cl 0.56141595523454 0.15786920717044 0.04168494740016 35.453 > 43 44 Cl 0.43858404476546 0.84213079282956 0.95831505259984 35.453 > 44 45 Cl 0.56141595523454 0.34213079282956 0.54168494740016 35.453 > 45 46 Cl 0.06141595523454 0.34213079282956 0.95831505259984 35.453 > 46 47 Cl 0.93858404476546 0.84213079282956 0.54168494740016 35.453 > 47 48 Cl 0.93858404476546 0.65786920717044 0.04168494740016 35.453 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.162659000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.792896250000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.561051170000001 Atomic positions (fractional): *1 Mg 0.34976146934852 0.45163528896124 0.05703412040476 24.305 > 1 2 Mg 0.84976146934852 0.45163528896124 0.05703412040476 24.305 > 1 *3 Mg 0.47111521661254 0.74950543313494 0.80768430401540 24.305 > 2 4 Mg 0.97111521661254 0.74950543313494 0.80768430401540 24.305 > 2 5 Mg 0.47111521661254 0.75049456686506 0.30768430401540 24.305 > 3 6 Mg 0.97111521661254 0.75049456686506 0.30768430401540 24.305 > 3 7 Mg 0.22111521661254 0.74950543313494 0.69231569598460 24.305 > 4 8 Mg 0.72111521661254 0.74950543313494 0.69231569598460 24.305 > 4 9 Mg 0.22111521661254 0.75049456686506 0.19231569598460 24.305 > 5 10 Mg 0.72111521661254 0.75049456686506 0.19231569598460 24.305 > 5 11 Mg 0.09976146934852 0.45163528896124 0.44296587959524 24.305 > 6 12 Mg 0.59976146934852 0.45163528896124 0.44296587959524 24.305 > 6 13 Mg 0.15023853065148 0.95163528896124 0.44296587959524 24.305 > 7 14 Mg 0.65023853065148 0.95163528896124 0.44296587959524 24.305 > 7 15 Mg 0.27888478338746 0.25049456686506 0.30768430401540 24.305 > 8 16 Mg 0.77888478338746 0.25049456686506 0.30768430401540 24.305 > 8 17 Mg 0.27888478338746 0.24950543313494 0.80768430401540 24.305 > 9 18 Mg 0.77888478338746 0.24950543313494 0.80768430401540 24.305 > 9 19 Mg 0.15023853065148 0.54836471103876 0.94296587959524 24.305 > 10 20 Mg 0.65023853065148 0.54836471103876 0.94296587959524 24.305 > 10 21 Mg 0.34976146934852 0.04836471103876 0.55703412040476 24.305 > 11 22 Mg 0.84976146934852 0.04836471103876 0.55703412040476 24.305 > 11 23 Mg 0.40023853065148 0.54836471103876 0.55703412040476 24.305 > 12 24 Mg 0.90023853065148 0.54836471103876 0.55703412040476 24.305 > 12 25 Mg 0.02888478338746 0.24950543313494 0.69231569598460 24.305 > 13 26 Mg 0.52888478338746 0.24950543313494 0.69231569598460 24.305 > 13 27 Mg 0.02888478338746 0.25049456686506 0.19231569598460 24.305 > 14 28 Mg 0.52888478338746 0.25049456686506 0.19231569598460 24.305 > 14 29 Mg 0.09976146934852 0.04836471103876 0.94296587959524 24.305 > 15 30 Mg 0.59976146934852 0.04836471103876 0.94296587959524 24.305 > 15 31 Mg 0.40023853065148 0.95163528896124 0.05703412040476 24.305 > 16 32 Mg 0.90023853065148 0.95163528896124 0.05703412040476 24.305 > 16 *33 B 0.32143454867782 0.53898287260083 0.80117663625951 10.811 > 17 34 B 0.82143454867782 0.53898287260083 0.80117663625951 10.811 > 17 35 B 0.32143454867782 0.96101712739917 0.30117663625951 10.811 > 18 36 B 0.82143454867782 0.96101712739917 0.30117663625951 10.811 > 18 37 B 0.42856545132218 0.46101712739917 0.30117663625951 10.811 > 19 38 B 0.92856545132218 0.46101712739917 0.30117663625951 10.811 > 19 39 B 0.17856545132218 0.46101712739917 0.19882336374049 10.811 > 20 40 B 0.67856545132218 0.46101712739917 0.19882336374049 10.811 > 20 41 B 0.17856545132218 0.03898287260083 0.69882336374049 10.811 > 21 42 B 0.67856545132218 0.03898287260083 0.69882336374049 10.811 > 21 43 B 0.07143454867782 0.96101712739917 0.19882336374049 10.811 > 22 44 B 0.57143454867782 0.96101712739917 0.19882336374049 10.811 > 22 45 B 0.42856545132218 0.03898287260083 0.80117663625951 10.811 > 23 46 B 0.92856545132218 0.03898287260083 0.80117663625951 10.811 > 23 47 B 0.07143454867782 0.53898287260083 0.69882336374049 10.811 > 24 48 B 0.57143454867782 0.53898287260083 0.69882336374049 10.811 > 24 *49 N 0.03461890631611 0.44259139509889 0.62204931200817 14.007 > 25 50 N 0.53461890631611 0.44259139509889 0.62204931200817 14.007 > 25 51 N 0.46538109368389 0.94259139509889 0.87795068799183 14.007 > 26 52 N 0.96538109368389 0.94259139509889 0.87795068799183 14.007 > 26 *53 N 0.14686004212246 0.14092494156478 0.77412173287923 14.007 > 27 54 N 0.64686004212246 0.14092494156478 0.77412173287923 14.007 > 27 55 N 0.35313995787754 0.85907505843523 0.22587826712077 14.007 > 28 56 N 0.85313995787754 0.85907505843523 0.22587826712077 14.007 > 28 57 N 0.35313995787754 0.64092494156477 0.72587826712077 14.007 > 29 58 N 0.85313995787754 0.64092494156477 0.72587826712077 14.007 > 29 59 N 0.28461890631611 0.44259139509889 0.87795068799183 14.007 > 30 60 N 0.78461890631611 0.44259139509889 0.87795068799183 14.007 > 30 61 N 0.14686004212246 0.35907505843523 0.27412173287923 14.007 > 31 62 N 0.64686004212246 0.35907505843523 0.27412173287923 14.007 > 31 63 N 0.46538109368389 0.55740860490111 0.37795068799183 14.007 > 32 64 N 0.96538109368389 0.55740860490111 0.37795068799183 14.007 > 32 65 N 0.10313995787754 0.64092494156477 0.77412173287923 14.007 > 33 66 N 0.60313995787754 0.64092494156477 0.77412173287923 14.007 > 33 67 N 0.21538109368389 0.55740860490111 0.12204931200817 14.007 > 34 68 N 0.71538109368389 0.55740860490111 0.12204931200817 14.007 > 34 69 N 0.10313995787754 0.85907505843523 0.27412173287923 14.007 > 35 70 N 0.60313995787754 0.85907505843523 0.27412173287923 14.007 > 35 71 N 0.39686004212246 0.35907505843523 0.22587826712077 14.007 > 36 72 N 0.89686004212246 0.35907505843523 0.22587826712077 14.007 > 36 73 N 0.21538109368389 0.94259139509889 0.62204931200817 14.007 > 37 74 N 0.71538109368389 0.94259139509889 0.62204931200817 14.007 > 37 75 N 0.39686004212246 0.14092494156478 0.72587826712077 14.007 > 38 76 N 0.89686004212246 0.14092494156478 0.72587826712077 14.007 > 38 77 N 0.28461890631611 0.05740860490111 0.37795068799183 14.007 > 39 78 N 0.78461890631611 0.05740860490111 0.37795068799183 14.007 > 39 79 N 0.03461890631611 0.05740860490111 0.12204931200817 14.007 > 40 80 N 0.53461890631611 0.05740860490111 0.12204931200817 14.007 > 40 *81 Cl 0.21929202238273 0.65786920717044 0.45831505259984 35.453 > 41 82 Cl 0.71929202238273 0.65786920717044 0.45831505259984 35.453 > 41 83 Cl 0.03070797761727 0.15786920717044 0.45831505259984 35.453 > 42 84 Cl 0.53070797761727 0.15786920717044 0.45831505259984 35.453 > 42 85 Cl 0.28070797761727 0.15786920717044 0.04168494740016 35.453 > 43 86 Cl 0.78070797761727 0.15786920717044 0.04168494740016 35.453 > 43 87 Cl 0.21929202238273 0.84213079282956 0.95831505259984 35.453 > 44 88 Cl 0.71929202238273 0.84213079282956 0.95831505259984 35.453 > 44 89 Cl 0.28070797761727 0.34213079282956 0.54168494740016 35.453 > 45 90 Cl 0.78070797761727 0.34213079282956 0.54168494740016 35.453 > 45 91 Cl 0.03070797761727 0.34213079282956 0.95831505259984 35.453 > 46 92 Cl 0.53070797761727 0.34213079282956 0.95831505259984 35.453 > 46 93 Cl 0.46929202238273 0.84213079282956 0.54168494740016 35.453 > 47 94 Cl 0.96929202238273 0.84213079282956 0.54168494740016 35.453 > 47 95 Cl 0.46929202238273 0.65786920717044 0.04168494740016 35.453 > 48 96 Cl 0.96929202238273 0.65786920717044 0.04168494740016 35.453 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3857598 0.0000000 0.0000000 0.0000000 3.6347165 0.0000000 0.0000000 0.0000000 3.6274717 -------------------------- Born effective charges -------------------------- 1 Mg 2.2255960 -0.0973399 -0.0630531 0.0704728 1.9026708 -0.0022511 -0.0789945 -0.0087646 2.1934905 2 Mg 1.8108047 -0.0086026 0.0226197 -0.0364788 2.2116364 0.0480736 -0.1312784 -0.1371453 2.1502440 3 Mg 1.8108047 0.0086026 0.0226197 0.0364788 2.2116364 -0.0480736 -0.1312784 0.1371453 2.1502440 4 Mg 1.8108047 -0.0086026 -0.0226197 -0.0364788 2.2116364 -0.0480736 0.1312784 0.1371453 2.1502440 5 Mg 1.8108047 0.0086026 -0.0226197 0.0364788 2.2116364 0.0480736 0.1312784 -0.1371453 2.1502440 6 Mg 2.2255960 -0.0973399 0.0630531 0.0704728 1.9026708 0.0022511 0.0789945 0.0087646 2.1934905 7 Mg 2.2255960 0.0973399 -0.0630531 -0.0704728 1.9026708 0.0022511 -0.0789945 0.0087646 2.1934905 8 Mg 1.8108047 -0.0086026 -0.0226197 -0.0364788 2.2116364 -0.0480736 0.1312784 0.1371453 2.1502440 9 Mg 1.8108047 0.0086026 -0.0226197 0.0364788 2.2116364 0.0480736 0.1312784 -0.1371453 2.1502440 10 Mg 2.2255960 -0.0973399 -0.0630531 0.0704728 1.9026708 -0.0022511 -0.0789945 -0.0087646 2.1934905 11 Mg 2.2255960 0.0973399 -0.0630531 -0.0704728 1.9026708 0.0022511 -0.0789945 0.0087646 2.1934905 12 Mg 2.2255960 -0.0973399 0.0630531 0.0704728 1.9026708 0.0022511 0.0789945 0.0087646 2.1934905 13 Mg 1.8108047 0.0086026 0.0226197 0.0364788 2.2116364 -0.0480736 -0.1312784 0.1371453 2.1502440 14 Mg 1.8108047 -0.0086026 0.0226197 -0.0364788 2.2116364 0.0480736 -0.1312784 -0.1371453 2.1502440 15 Mg 2.2255960 0.0973399 0.0630531 -0.0704728 1.9026708 -0.0022511 0.0789945 -0.0087646 2.1934905 16 Mg 2.2255960 0.0973399 0.0630531 -0.0704728 1.9026708 -0.0022511 0.0789945 -0.0087646 2.1934905 17 B 0.6315721 0.6389756 -0.4951518 0.7490680 1.6838835 -1.2906316 -0.5085429 -1.2924544 1.2915183 18 B 0.6315721 -0.6389756 -0.4951518 -0.7490680 1.6838835 1.2906316 -0.5085429 1.2924544 1.2915183 19 B 0.6315721 0.6389756 0.4951518 0.7490680 1.6838835 1.2906316 0.5085429 1.2924544 1.2915183 20 B 0.6315721 0.6389756 -0.4951518 0.7490680 1.6838835 -1.2906316 -0.5085429 -1.2924544 1.2915183 21 B 0.6315721 -0.6389756 -0.4951518 -0.7490680 1.6838835 1.2906316 -0.5085429 1.2924544 1.2915183 22 B 0.6315721 -0.6389756 0.4951518 -0.7490680 1.6838835 -1.2906316 0.5085429 -1.2924544 1.2915183 23 B 0.6315721 -0.6389756 0.4951518 -0.7490680 1.6838835 -1.2906316 0.5085429 -1.2924544 1.2915183 24 B 0.6315721 0.6389756 0.4951518 0.7490680 1.6838835 1.2906316 0.5085429 1.2924544 1.2915183 25 N -1.6863205 -0.1385226 -0.2615298 -0.3569913 -2.2797218 -0.6121045 -0.2772644 -0.5967816 -2.1673783 26 N -1.6863205 0.1385226 -0.2615298 0.3569913 -2.2797218 0.6121045 -0.2772644 0.5967816 -2.1673783 27 N -1.8810606 0.2804144 0.2739064 0.3579839 -2.2188075 -0.6191823 0.2562845 -0.6243448 -2.0780497 28 N -1.8810606 0.2804144 0.2739064 0.3579839 -2.2188075 -0.6191823 0.2562845 -0.6243448 -2.0780497 29 N -1.8810606 -0.2804144 0.2739064 -0.3579839 -2.2188075 0.6191823 0.2562845 0.6243448 -2.0780497 30 N -1.6863205 -0.1385226 0.2615298 -0.3569913 -2.2797218 0.6121045 0.2772644 0.5967816 -2.1673783 31 N -1.8810606 -0.2804144 0.2739064 -0.3579839 -2.2188075 0.6191823 0.2562845 0.6243448 -2.0780497 32 N -1.6863205 -0.1385226 -0.2615298 -0.3569913 -2.2797218 -0.6121045 -0.2772644 -0.5967816 -2.1673783 33 N -1.8810606 -0.2804144 -0.2739064 -0.3579839 -2.2188075 -0.6191823 -0.2562845 -0.6243448 -2.0780497 34 N -1.6863205 -0.1385226 0.2615298 -0.3569913 -2.2797218 0.6121045 0.2772644 0.5967816 -2.1673783 35 N -1.8810606 0.2804144 -0.2739064 0.3579839 -2.2188075 0.6191823 -0.2562845 0.6243448 -2.0780497 36 N -1.8810606 -0.2804144 -0.2739064 -0.3579839 -2.2188075 -0.6191823 -0.2562845 -0.6243448 -2.0780497 37 N -1.6863205 0.1385226 0.2615298 0.3569913 -2.2797218 -0.6121045 0.2772644 -0.5967816 -2.1673783 38 N -1.8810606 0.2804144 -0.2739064 0.3579839 -2.2188075 0.6191823 -0.2562845 0.6243448 -2.0780497 39 N -1.6863205 0.1385226 0.2615298 0.3569913 -2.2797218 -0.6121045 0.2772644 -0.5967816 -2.1673783 40 N -1.6863205 0.1385226 -0.2615298 0.3569913 -2.2797218 0.6121045 -0.2772644 0.5967816 -2.1673783 41 Cl -1.1005918 -0.0095706 -0.0763414 -0.0205918 -1.2996614 0.0472674 -0.0911624 -0.0318669 -1.3898249 42 Cl -1.1005918 0.0095706 0.0763414 0.0205918 -1.2996614 0.0472674 0.0911624 -0.0318669 -1.3898249 43 Cl -1.1005918 0.0095706 -0.0763414 0.0205918 -1.2996614 -0.0472674 -0.0911624 0.0318669 -1.3898249 44 Cl -1.1005918 0.0095706 -0.0763414 0.0205918 -1.2996614 -0.0472674 -0.0911624 0.0318669 -1.3898249 45 Cl -1.1005918 -0.0095706 -0.0763414 -0.0205918 -1.2996614 0.0472674 -0.0911624 -0.0318669 -1.3898249 46 Cl -1.1005918 -0.0095706 0.0763414 -0.0205918 -1.2996614 -0.0472674 0.0911624 0.0318669 -1.3898249 47 Cl -1.1005918 0.0095706 0.0763414 0.0205918 -1.2996614 0.0472674 0.0911624 -0.0318669 -1.3898249 48 Cl -1.1005918 -0.0095706 0.0763414 -0.0205918 -1.2996614 -0.0472674 0.0911624 0.0318669 -1.3898249 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2646), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.696 Solver_block: 200 / 720 - Time: 0.625 Solver_block: 300 / 720 - Time: 0.618 Solver_block: 400 / 720 - Time: 0.619 Solver_block: 500 / 720 - Time: 0.624 Solver_block: 600 / 720 - Time: 0.617 Solver_block: 700 / 720 - Time: 0.616 Solver_block: 720 / 720 - Time: 0.227 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.746 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2646), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:54:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:54:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.581329500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.792896250000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.561051170000001 Atomic positions (fractional): 1 Mg 0.69952293869703 0.45163528896124 0.05703412040476 24.305 2 Mg 0.94223043322508 0.74950543313494 0.80768430401540 24.305 3 Mg 0.94223043322508 0.75049456686506 0.30768430401540 24.305 4 Mg 0.44223043322508 0.74950543313494 0.69231569598460 24.305 5 Mg 0.44223043322508 0.75049456686506 0.19231569598460 24.305 6 Mg 0.19952293869704 0.45163528896124 0.44296587959524 24.305 7 Mg 0.30047706130296 0.95163528896124 0.44296587959524 24.305 8 Mg 0.55776956677492 0.25049456686506 0.30768430401540 24.305 9 Mg 0.55776956677492 0.24950543313494 0.80768430401540 24.305 10 Mg 0.30047706130296 0.54836471103876 0.94296587959524 24.305 11 Mg 0.69952293869703 0.04836471103876 0.55703412040476 24.305 12 Mg 0.80047706130297 0.54836471103876 0.55703412040476 24.305 13 Mg 0.05776956677492 0.24950543313494 0.69231569598460 24.305 14 Mg 0.05776956677492 0.25049456686506 0.19231569598460 24.305 15 Mg 0.19952293869704 0.04836471103876 0.94296587959524 24.305 16 Mg 0.80047706130297 0.95163528896124 0.05703412040476 24.305 17 B 0.64286909735564 0.53898287260083 0.80117663625951 10.811 18 B 0.64286909735564 0.96101712739917 0.30117663625951 10.811 19 B 0.85713090264436 0.46101712739917 0.30117663625951 10.811 20 B 0.35713090264436 0.46101712739917 0.19882336374049 10.811 21 B 0.35713090264436 0.03898287260083 0.69882336374049 10.811 22 B 0.14286909735564 0.96101712739917 0.19882336374049 10.811 23 B 0.85713090264436 0.03898287260083 0.80117663625951 10.811 24 B 0.14286909735564 0.53898287260083 0.69882336374049 10.811 25 N 0.06923781263222 0.44259139509889 0.62204931200817 14.007 26 N 0.93076218736778 0.94259139509889 0.87795068799183 14.007 27 N 0.29372008424492 0.14092494156478 0.77412173287923 14.007 28 N 0.70627991575508 0.85907505843523 0.22587826712077 14.007 29 N 0.70627991575508 0.64092494156477 0.72587826712077 14.007 30 N 0.56923781263222 0.44259139509889 0.87795068799183 14.007 31 N 0.29372008424492 0.35907505843523 0.27412173287923 14.007 32 N 0.93076218736778 0.55740860490111 0.37795068799183 14.007 33 N 0.20627991575508 0.64092494156477 0.77412173287923 14.007 34 N 0.43076218736778 0.55740860490111 0.12204931200817 14.007 35 N 0.20627991575508 0.85907505843523 0.27412173287923 14.007 36 N 0.79372008424492 0.35907505843523 0.22587826712077 14.007 37 N 0.43076218736778 0.94259139509889 0.62204931200817 14.007 38 N 0.79372008424492 0.14092494156478 0.72587826712077 14.007 39 N 0.56923781263222 0.05740860490111 0.37795068799183 14.007 40 N 0.06923781263222 0.05740860490111 0.12204931200817 14.007 41 Cl 0.43858404476546 0.65786920717044 0.45831505259984 35.453 42 Cl 0.06141595523454 0.15786920717044 0.45831505259984 35.453 43 Cl 0.56141595523454 0.15786920717044 0.04168494740016 35.453 44 Cl 0.43858404476546 0.84213079282956 0.95831505259984 35.453 45 Cl 0.56141595523454 0.34213079282956 0.54168494740016 35.453 46 Cl 0.06141595523454 0.34213079282956 0.95831505259984 35.453 47 Cl 0.93858404476546 0.84213079282956 0.54168494740016 35.453 48 Cl 0.93858404476546 0.65786920717044 0.04168494740016 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.162659000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.792896250000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.561051170000001 Atomic positions (fractional): 1 Mg 0.34976146934852 0.45163528896124 0.05703412040476 24.305 > 1 2 Mg 0.84976146934852 0.45163528896124 0.05703412040476 24.305 > 1 3 Mg 0.47111521661254 0.74950543313494 0.80768430401540 24.305 > 3 4 Mg 0.97111521661254 0.74950543313494 0.80768430401540 24.305 > 3 5 Mg 0.47111521661254 0.75049456686506 0.30768430401540 24.305 > 5 6 Mg 0.97111521661254 0.75049456686506 0.30768430401540 24.305 > 5 7 Mg 0.22111521661254 0.74950543313494 0.69231569598460 24.305 > 7 8 Mg 0.72111521661254 0.74950543313494 0.69231569598460 24.305 > 7 9 Mg 0.22111521661254 0.75049456686506 0.19231569598460 24.305 > 9 10 Mg 0.72111521661254 0.75049456686506 0.19231569598460 24.305 > 9 11 Mg 0.09976146934852 0.45163528896124 0.44296587959524 24.305 > 11 12 Mg 0.59976146934852 0.45163528896124 0.44296587959524 24.305 > 11 13 Mg 0.15023853065148 0.95163528896124 0.44296587959524 24.305 > 13 14 Mg 0.65023853065148 0.95163528896124 0.44296587959524 24.305 > 13 15 Mg 0.27888478338746 0.25049456686506 0.30768430401540 24.305 > 15 16 Mg 0.77888478338746 0.25049456686506 0.30768430401540 24.305 > 15 17 Mg 0.27888478338746 0.24950543313494 0.80768430401540 24.305 > 17 18 Mg 0.77888478338746 0.24950543313494 0.80768430401540 24.305 > 17 19 Mg 0.15023853065148 0.54836471103876 0.94296587959524 24.305 > 19 20 Mg 0.65023853065148 0.54836471103876 0.94296587959524 24.305 > 19 21 Mg 0.34976146934852 0.04836471103876 0.55703412040476 24.305 > 21 22 Mg 0.84976146934852 0.04836471103876 0.55703412040476 24.305 > 21 23 Mg 0.40023853065148 0.54836471103876 0.55703412040476 24.305 > 23 24 Mg 0.90023853065148 0.54836471103876 0.55703412040476 24.305 > 23 25 Mg 0.02888478338746 0.24950543313494 0.69231569598460 24.305 > 25 26 Mg 0.52888478338746 0.24950543313494 0.69231569598460 24.305 > 25 27 Mg 0.02888478338746 0.25049456686506 0.19231569598460 24.305 > 27 28 Mg 0.52888478338746 0.25049456686506 0.19231569598460 24.305 > 27 29 Mg 0.09976146934852 0.04836471103876 0.94296587959524 24.305 > 29 30 Mg 0.59976146934852 0.04836471103876 0.94296587959524 24.305 > 29 31 Mg 0.40023853065148 0.95163528896124 0.05703412040476 24.305 > 31 32 Mg 0.90023853065148 0.95163528896124 0.05703412040476 24.305 > 31 33 B 0.32143454867782 0.53898287260083 0.80117663625951 10.811 > 33 34 B 0.82143454867782 0.53898287260083 0.80117663625951 10.811 > 33 35 B 0.32143454867782 0.96101712739917 0.30117663625951 10.811 > 35 36 B 0.82143454867782 0.96101712739917 0.30117663625951 10.811 > 35 37 B 0.42856545132218 0.46101712739917 0.30117663625951 10.811 > 37 38 B 0.92856545132218 0.46101712739917 0.30117663625951 10.811 > 37 39 B 0.17856545132218 0.46101712739917 0.19882336374049 10.811 > 39 40 B 0.67856545132218 0.46101712739917 0.19882336374049 10.811 > 39 41 B 0.17856545132218 0.03898287260083 0.69882336374049 10.811 > 41 42 B 0.67856545132218 0.03898287260083 0.69882336374049 10.811 > 41 43 B 0.07143454867782 0.96101712739917 0.19882336374049 10.811 > 43 44 B 0.57143454867782 0.96101712739917 0.19882336374049 10.811 > 43 45 B 0.42856545132218 0.03898287260083 0.80117663625951 10.811 > 45 46 B 0.92856545132218 0.03898287260083 0.80117663625951 10.811 > 45 47 B 0.07143454867782 0.53898287260083 0.69882336374049 10.811 > 47 48 B 0.57143454867782 0.53898287260083 0.69882336374049 10.811 > 47 49 N 0.03461890631611 0.44259139509889 0.62204931200817 14.007 > 49 50 N 0.53461890631611 0.44259139509889 0.62204931200817 14.007 > 49 51 N 0.46538109368389 0.94259139509889 0.87795068799183 14.007 > 51 52 N 0.96538109368389 0.94259139509889 0.87795068799183 14.007 > 51 53 N 0.14686004212246 0.14092494156478 0.77412173287923 14.007 > 53 54 N 0.64686004212246 0.14092494156478 0.77412173287923 14.007 > 53 55 N 0.35313995787754 0.85907505843523 0.22587826712077 14.007 > 55 56 N 0.85313995787754 0.85907505843523 0.22587826712077 14.007 > 55 57 N 0.35313995787754 0.64092494156477 0.72587826712077 14.007 > 57 58 N 0.85313995787754 0.64092494156477 0.72587826712077 14.007 > 57 59 N 0.28461890631611 0.44259139509889 0.87795068799183 14.007 > 59 60 N 0.78461890631611 0.44259139509889 0.87795068799183 14.007 > 59 61 N 0.14686004212246 0.35907505843523 0.27412173287923 14.007 > 61 62 N 0.64686004212246 0.35907505843523 0.27412173287923 14.007 > 61 63 N 0.46538109368389 0.55740860490111 0.37795068799183 14.007 > 63 64 N 0.96538109368389 0.55740860490111 0.37795068799183 14.007 > 63 65 N 0.10313995787754 0.64092494156477 0.77412173287923 14.007 > 65 66 N 0.60313995787754 0.64092494156477 0.77412173287923 14.007 > 65 67 N 0.21538109368389 0.55740860490111 0.12204931200817 14.007 > 67 68 N 0.71538109368389 0.55740860490111 0.12204931200817 14.007 > 67 69 N 0.10313995787754 0.85907505843523 0.27412173287923 14.007 > 69 70 N 0.60313995787754 0.85907505843523 0.27412173287923 14.007 > 69 71 N 0.39686004212246 0.35907505843523 0.22587826712077 14.007 > 71 72 N 0.89686004212246 0.35907505843523 0.22587826712077 14.007 > 71 73 N 0.21538109368389 0.94259139509889 0.62204931200817 14.007 > 73 74 N 0.71538109368389 0.94259139509889 0.62204931200817 14.007 > 73 75 N 0.39686004212246 0.14092494156478 0.72587826712077 14.007 > 75 76 N 0.89686004212246 0.14092494156478 0.72587826712077 14.007 > 75 77 N 0.28461890631611 0.05740860490111 0.37795068799183 14.007 > 77 78 N 0.78461890631611 0.05740860490111 0.37795068799183 14.007 > 77 79 N 0.03461890631611 0.05740860490111 0.12204931200817 14.007 > 79 80 N 0.53461890631611 0.05740860490111 0.12204931200817 14.007 > 79 81 Cl 0.21929202238273 0.65786920717044 0.45831505259984 35.453 > 81 82 Cl 0.71929202238273 0.65786920717044 0.45831505259984 35.453 > 81 83 Cl 0.03070797761727 0.15786920717044 0.45831505259984 35.453 > 83 84 Cl 0.53070797761727 0.15786920717044 0.45831505259984 35.453 > 83 85 Cl 0.28070797761727 0.15786920717044 0.04168494740016 35.453 > 85 86 Cl 0.78070797761727 0.15786920717044 0.04168494740016 35.453 > 85 87 Cl 0.21929202238273 0.84213079282956 0.95831505259984 35.453 > 87 88 Cl 0.71929202238273 0.84213079282956 0.95831505259984 35.453 > 87 89 Cl 0.28070797761727 0.34213079282956 0.54168494740016 35.453 > 89 90 Cl 0.78070797761727 0.34213079282956 0.54168494740016 35.453 > 89 91 Cl 0.03070797761727 0.34213079282956 0.95831505259984 35.453 > 91 92 Cl 0.53070797761727 0.34213079282956 0.95831505259984 35.453 > 91 93 Cl 0.46929202238273 0.84213079282956 0.54168494740016 35.453 > 93 94 Cl 0.96929202238273 0.84213079282956 0.54168494740016 35.453 > 93 95 Cl 0.46929202238273 0.65786920717044 0.04168494740016 35.453 > 95 96 Cl 0.96929202238273 0.65786920717044 0.04168494740016 35.453 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3857598 0.0000000 0.0000000 0.0000000 3.6347165 0.0000000 0.0000000 0.0000000 3.6274717 -------------------------- Born effective charges -------------------------- 1 Mg 2.2255960 -0.0973399 -0.0630531 0.0704728 1.9026708 -0.0022511 -0.0789945 -0.0087646 2.1934905 2 Mg 1.8108047 -0.0086026 0.0226197 -0.0364788 2.2116364 0.0480736 -0.1312784 -0.1371453 2.1502440 3 Mg 1.8108047 0.0086026 0.0226197 0.0364788 2.2116364 -0.0480736 -0.1312784 0.1371453 2.1502440 4 Mg 1.8108047 -0.0086026 -0.0226197 -0.0364788 2.2116364 -0.0480736 0.1312784 0.1371453 2.1502440 5 Mg 1.8108047 0.0086026 -0.0226197 0.0364788 2.2116364 0.0480736 0.1312784 -0.1371453 2.1502440 6 Mg 2.2255960 -0.0973399 0.0630531 0.0704728 1.9026708 0.0022511 0.0789945 0.0087646 2.1934905 7 Mg 2.2255960 0.0973399 -0.0630531 -0.0704728 1.9026708 0.0022511 -0.0789945 0.0087646 2.1934905 8 Mg 1.8108047 -0.0086026 -0.0226197 -0.0364788 2.2116364 -0.0480736 0.1312784 0.1371453 2.1502440 9 Mg 1.8108047 0.0086026 -0.0226197 0.0364788 2.2116364 0.0480736 0.1312784 -0.1371453 2.1502440 10 Mg 2.2255960 -0.0973399 -0.0630531 0.0704728 1.9026708 -0.0022511 -0.0789945 -0.0087646 2.1934905 11 Mg 2.2255960 0.0973399 -0.0630531 -0.0704728 1.9026708 0.0022511 -0.0789945 0.0087646 2.1934905 12 Mg 2.2255960 -0.0973399 0.0630531 0.0704728 1.9026708 0.0022511 0.0789945 0.0087646 2.1934905 13 Mg 1.8108047 0.0086026 0.0226197 0.0364788 2.2116364 -0.0480736 -0.1312784 0.1371453 2.1502440 14 Mg 1.8108047 -0.0086026 0.0226197 -0.0364788 2.2116364 0.0480736 -0.1312784 -0.1371453 2.1502440 15 Mg 2.2255960 0.0973399 0.0630531 -0.0704728 1.9026708 -0.0022511 0.0789945 -0.0087646 2.1934905 16 Mg 2.2255960 0.0973399 0.0630531 -0.0704728 1.9026708 -0.0022511 0.0789945 -0.0087646 2.1934905 17 B 0.6315721 0.6389756 -0.4951518 0.7490680 1.6838835 -1.2906316 -0.5085429 -1.2924544 1.2915183 18 B 0.6315721 -0.6389756 -0.4951518 -0.7490680 1.6838835 1.2906316 -0.5085429 1.2924544 1.2915183 19 B 0.6315721 0.6389756 0.4951518 0.7490680 1.6838835 1.2906316 0.5085429 1.2924544 1.2915183 20 B 0.6315721 0.6389756 -0.4951518 0.7490680 1.6838835 -1.2906316 -0.5085429 -1.2924544 1.2915183 21 B 0.6315721 -0.6389756 -0.4951518 -0.7490680 1.6838835 1.2906316 -0.5085429 1.2924544 1.2915183 22 B 0.6315721 -0.6389756 0.4951518 -0.7490680 1.6838835 -1.2906316 0.5085429 -1.2924544 1.2915183 23 B 0.6315721 -0.6389756 0.4951518 -0.7490680 1.6838835 -1.2906316 0.5085429 -1.2924544 1.2915183 24 B 0.6315721 0.6389756 0.4951518 0.7490680 1.6838835 1.2906316 0.5085429 1.2924544 1.2915183 25 N -1.6863205 -0.1385226 -0.2615298 -0.3569913 -2.2797218 -0.6121045 -0.2772644 -0.5967816 -2.1673783 26 N -1.6863205 0.1385226 -0.2615298 0.3569913 -2.2797218 0.6121045 -0.2772644 0.5967816 -2.1673783 27 N -1.8810606 0.2804144 0.2739064 0.3579839 -2.2188075 -0.6191823 0.2562845 -0.6243448 -2.0780497 28 N -1.8810606 0.2804144 0.2739064 0.3579839 -2.2188075 -0.6191823 0.2562845 -0.6243448 -2.0780497 29 N -1.8810606 -0.2804144 0.2739064 -0.3579839 -2.2188075 0.6191823 0.2562845 0.6243448 -2.0780497 30 N -1.6863205 -0.1385226 0.2615298 -0.3569913 -2.2797218 0.6121045 0.2772644 0.5967816 -2.1673783 31 N -1.8810606 -0.2804144 0.2739064 -0.3579839 -2.2188075 0.6191823 0.2562845 0.6243448 -2.0780497 32 N -1.6863205 -0.1385226 -0.2615298 -0.3569913 -2.2797218 -0.6121045 -0.2772644 -0.5967816 -2.1673783 33 N -1.8810606 -0.2804144 -0.2739064 -0.3579839 -2.2188075 -0.6191823 -0.2562845 -0.6243448 -2.0780497 34 N -1.6863205 -0.1385226 0.2615298 -0.3569913 -2.2797218 0.6121045 0.2772644 0.5967816 -2.1673783 35 N -1.8810606 0.2804144 -0.2739064 0.3579839 -2.2188075 0.6191823 -0.2562845 0.6243448 -2.0780497 36 N -1.8810606 -0.2804144 -0.2739064 -0.3579839 -2.2188075 -0.6191823 -0.2562845 -0.6243448 -2.0780497 37 N -1.6863205 0.1385226 0.2615298 0.3569913 -2.2797218 -0.6121045 0.2772644 -0.5967816 -2.1673783 38 N -1.8810606 0.2804144 -0.2739064 0.3579839 -2.2188075 0.6191823 -0.2562845 0.6243448 -2.0780497 39 N -1.6863205 0.1385226 0.2615298 0.3569913 -2.2797218 -0.6121045 0.2772644 -0.5967816 -2.1673783 40 N -1.6863205 0.1385226 -0.2615298 0.3569913 -2.2797218 0.6121045 -0.2772644 0.5967816 -2.1673783 41 Cl -1.1005918 -0.0095706 -0.0763414 -0.0205918 -1.2996614 0.0472674 -0.0911624 -0.0318669 -1.3898249 42 Cl -1.1005918 0.0095706 0.0763414 0.0205918 -1.2996614 0.0472674 0.0911624 -0.0318669 -1.3898249 43 Cl -1.1005918 0.0095706 -0.0763414 0.0205918 -1.2996614 -0.0472674 -0.0911624 0.0318669 -1.3898249 44 Cl -1.1005918 0.0095706 -0.0763414 0.0205918 -1.2996614 -0.0472674 -0.0911624 0.0318669 -1.3898249 45 Cl -1.1005918 -0.0095706 -0.0763414 -0.0205918 -1.2996614 0.0472674 -0.0911624 -0.0318669 -1.3898249 46 Cl -1.1005918 -0.0095706 0.0763414 -0.0205918 -1.2996614 -0.0472674 0.0911624 0.0318669 -1.3898249 47 Cl -1.1005918 0.0095706 0.0763414 0.0205918 -1.2996614 0.0472674 0.0911624 -0.0318669 -1.3898249 48 Cl -1.1005918 -0.0095706 0.0763414 -0.0205918 -1.2996614 -0.0472674 0.0911624 0.0318669 -1.3898249 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:55:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:55:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.581329500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.792896250000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.561051170000001 Atomic positions (fractional): 1 Mg 0.69952293869703 0.45163528896124 0.05703412040476 24.305 2 Mg 0.94223043322508 0.74950543313494 0.80768430401540 24.305 3 Mg 0.94223043322508 0.75049456686506 0.30768430401540 24.305 4 Mg 0.44223043322508 0.74950543313494 0.69231569598460 24.305 5 Mg 0.44223043322508 0.75049456686506 0.19231569598460 24.305 6 Mg 0.19952293869704 0.45163528896124 0.44296587959524 24.305 7 Mg 0.30047706130296 0.95163528896124 0.44296587959524 24.305 8 Mg 0.55776956677492 0.25049456686506 0.30768430401540 24.305 9 Mg 0.55776956677492 0.24950543313494 0.80768430401540 24.305 10 Mg 0.30047706130296 0.54836471103876 0.94296587959524 24.305 11 Mg 0.69952293869703 0.04836471103876 0.55703412040476 24.305 12 Mg 0.80047706130297 0.54836471103876 0.55703412040476 24.305 13 Mg 0.05776956677492 0.24950543313494 0.69231569598460 24.305 14 Mg 0.05776956677492 0.25049456686506 0.19231569598460 24.305 15 Mg 0.19952293869704 0.04836471103876 0.94296587959524 24.305 16 Mg 0.80047706130297 0.95163528896124 0.05703412040476 24.305 17 B 0.64286909735564 0.53898287260083 0.80117663625951 10.811 18 B 0.64286909735564 0.96101712739917 0.30117663625951 10.811 19 B 0.85713090264436 0.46101712739917 0.30117663625951 10.811 20 B 0.35713090264436 0.46101712739917 0.19882336374049 10.811 21 B 0.35713090264436 0.03898287260083 0.69882336374049 10.811 22 B 0.14286909735564 0.96101712739917 0.19882336374049 10.811 23 B 0.85713090264436 0.03898287260083 0.80117663625951 10.811 24 B 0.14286909735564 0.53898287260083 0.69882336374049 10.811 25 N 0.06923781263222 0.44259139509889 0.62204931200817 14.007 26 N 0.93076218736778 0.94259139509889 0.87795068799183 14.007 27 N 0.29372008424492 0.14092494156478 0.77412173287923 14.007 28 N 0.70627991575508 0.85907505843523 0.22587826712077 14.007 29 N 0.70627991575508 0.64092494156477 0.72587826712077 14.007 30 N 0.56923781263222 0.44259139509889 0.87795068799183 14.007 31 N 0.29372008424492 0.35907505843523 0.27412173287923 14.007 32 N 0.93076218736778 0.55740860490111 0.37795068799183 14.007 33 N 0.20627991575508 0.64092494156477 0.77412173287923 14.007 34 N 0.43076218736778 0.55740860490111 0.12204931200817 14.007 35 N 0.20627991575508 0.85907505843523 0.27412173287923 14.007 36 N 0.79372008424492 0.35907505843523 0.22587826712077 14.007 37 N 0.43076218736778 0.94259139509889 0.62204931200817 14.007 38 N 0.79372008424492 0.14092494156478 0.72587826712077 14.007 39 N 0.56923781263222 0.05740860490111 0.37795068799183 14.007 40 N 0.06923781263222 0.05740860490111 0.12204931200817 14.007 41 Cl 0.43858404476546 0.65786920717044 0.45831505259984 35.453 42 Cl 0.06141595523454 0.15786920717044 0.45831505259984 35.453 43 Cl 0.56141595523454 0.15786920717044 0.04168494740016 35.453 44 Cl 0.43858404476546 0.84213079282956 0.95831505259984 35.453 45 Cl 0.56141595523454 0.34213079282956 0.54168494740016 35.453 46 Cl 0.06141595523454 0.34213079282956 0.95831505259984 35.453 47 Cl 0.93858404476546 0.84213079282956 0.54168494740016 35.453 48 Cl 0.93858404476546 0.65786920717044 0.04168494740016 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.162659000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.792896250000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.561051170000001 Atomic positions (fractional): 1 Mg 0.34976146934852 0.45163528896124 0.05703412040476 24.305 > 1 2 Mg 0.84976146934852 0.45163528896124 0.05703412040476 24.305 > 1 3 Mg 0.47111521661254 0.74950543313494 0.80768430401540 24.305 > 3 4 Mg 0.97111521661254 0.74950543313494 0.80768430401540 24.305 > 3 5 Mg 0.47111521661254 0.75049456686506 0.30768430401540 24.305 > 5 6 Mg 0.97111521661254 0.75049456686506 0.30768430401540 24.305 > 5 7 Mg 0.22111521661254 0.74950543313494 0.69231569598460 24.305 > 7 8 Mg 0.72111521661254 0.74950543313494 0.69231569598460 24.305 > 7 9 Mg 0.22111521661254 0.75049456686506 0.19231569598460 24.305 > 9 10 Mg 0.72111521661254 0.75049456686506 0.19231569598460 24.305 > 9 11 Mg 0.09976146934852 0.45163528896124 0.44296587959524 24.305 > 11 12 Mg 0.59976146934852 0.45163528896124 0.44296587959524 24.305 > 11 13 Mg 0.15023853065148 0.95163528896124 0.44296587959524 24.305 > 13 14 Mg 0.65023853065148 0.95163528896124 0.44296587959524 24.305 > 13 15 Mg 0.27888478338746 0.25049456686506 0.30768430401540 24.305 > 15 16 Mg 0.77888478338746 0.25049456686506 0.30768430401540 24.305 > 15 17 Mg 0.27888478338746 0.24950543313494 0.80768430401540 24.305 > 17 18 Mg 0.77888478338746 0.24950543313494 0.80768430401540 24.305 > 17 19 Mg 0.15023853065148 0.54836471103876 0.94296587959524 24.305 > 19 20 Mg 0.65023853065148 0.54836471103876 0.94296587959524 24.305 > 19 21 Mg 0.34976146934852 0.04836471103876 0.55703412040476 24.305 > 21 22 Mg 0.84976146934852 0.04836471103876 0.55703412040476 24.305 > 21 23 Mg 0.40023853065148 0.54836471103876 0.55703412040476 24.305 > 23 24 Mg 0.90023853065148 0.54836471103876 0.55703412040476 24.305 > 23 25 Mg 0.02888478338746 0.24950543313494 0.69231569598460 24.305 > 25 26 Mg 0.52888478338746 0.24950543313494 0.69231569598460 24.305 > 25 27 Mg 0.02888478338746 0.25049456686506 0.19231569598460 24.305 > 27 28 Mg 0.52888478338746 0.25049456686506 0.19231569598460 24.305 > 27 29 Mg 0.09976146934852 0.04836471103876 0.94296587959524 24.305 > 29 30 Mg 0.59976146934852 0.04836471103876 0.94296587959524 24.305 > 29 31 Mg 0.40023853065148 0.95163528896124 0.05703412040476 24.305 > 31 32 Mg 0.90023853065148 0.95163528896124 0.05703412040476 24.305 > 31 33 B 0.32143454867782 0.53898287260083 0.80117663625951 10.811 > 33 34 B 0.82143454867782 0.53898287260083 0.80117663625951 10.811 > 33 35 B 0.32143454867782 0.96101712739917 0.30117663625951 10.811 > 35 36 B 0.82143454867782 0.96101712739917 0.30117663625951 10.811 > 35 37 B 0.42856545132218 0.46101712739917 0.30117663625951 10.811 > 37 38 B 0.92856545132218 0.46101712739917 0.30117663625951 10.811 > 37 39 B 0.17856545132218 0.46101712739917 0.19882336374049 10.811 > 39 40 B 0.67856545132218 0.46101712739917 0.19882336374049 10.811 > 39 41 B 0.17856545132218 0.03898287260083 0.69882336374049 10.811 > 41 42 B 0.67856545132218 0.03898287260083 0.69882336374049 10.811 > 41 43 B 0.07143454867782 0.96101712739917 0.19882336374049 10.811 > 43 44 B 0.57143454867782 0.96101712739917 0.19882336374049 10.811 > 43 45 B 0.42856545132218 0.03898287260083 0.80117663625951 10.811 > 45 46 B 0.92856545132218 0.03898287260083 0.80117663625951 10.811 > 45 47 B 0.07143454867782 0.53898287260083 0.69882336374049 10.811 > 47 48 B 0.57143454867782 0.53898287260083 0.69882336374049 10.811 > 47 49 N 0.03461890631611 0.44259139509889 0.62204931200817 14.007 > 49 50 N 0.53461890631611 0.44259139509889 0.62204931200817 14.007 > 49 51 N 0.46538109368389 0.94259139509889 0.87795068799183 14.007 > 51 52 N 0.96538109368389 0.94259139509889 0.87795068799183 14.007 > 51 53 N 0.14686004212246 0.14092494156478 0.77412173287923 14.007 > 53 54 N 0.64686004212246 0.14092494156478 0.77412173287923 14.007 > 53 55 N 0.35313995787754 0.85907505843523 0.22587826712077 14.007 > 55 56 N 0.85313995787754 0.85907505843523 0.22587826712077 14.007 > 55 57 N 0.35313995787754 0.64092494156477 0.72587826712077 14.007 > 57 58 N 0.85313995787754 0.64092494156477 0.72587826712077 14.007 > 57 59 N 0.28461890631611 0.44259139509889 0.87795068799183 14.007 > 59 60 N 0.78461890631611 0.44259139509889 0.87795068799183 14.007 > 59 61 N 0.14686004212246 0.35907505843523 0.27412173287923 14.007 > 61 62 N 0.64686004212246 0.35907505843523 0.27412173287923 14.007 > 61 63 N 0.46538109368389 0.55740860490111 0.37795068799183 14.007 > 63 64 N 0.96538109368389 0.55740860490111 0.37795068799183 14.007 > 63 65 N 0.10313995787754 0.64092494156477 0.77412173287923 14.007 > 65 66 N 0.60313995787754 0.64092494156477 0.77412173287923 14.007 > 65 67 N 0.21538109368389 0.55740860490111 0.12204931200817 14.007 > 67 68 N 0.71538109368389 0.55740860490111 0.12204931200817 14.007 > 67 69 N 0.10313995787754 0.85907505843523 0.27412173287923 14.007 > 69 70 N 0.60313995787754 0.85907505843523 0.27412173287923 14.007 > 69 71 N 0.39686004212246 0.35907505843523 0.22587826712077 14.007 > 71 72 N 0.89686004212246 0.35907505843523 0.22587826712077 14.007 > 71 73 N 0.21538109368389 0.94259139509889 0.62204931200817 14.007 > 73 74 N 0.71538109368389 0.94259139509889 0.62204931200817 14.007 > 73 75 N 0.39686004212246 0.14092494156478 0.72587826712077 14.007 > 75 76 N 0.89686004212246 0.14092494156478 0.72587826712077 14.007 > 75 77 N 0.28461890631611 0.05740860490111 0.37795068799183 14.007 > 77 78 N 0.78461890631611 0.05740860490111 0.37795068799183 14.007 > 77 79 N 0.03461890631611 0.05740860490111 0.12204931200817 14.007 > 79 80 N 0.53461890631611 0.05740860490111 0.12204931200817 14.007 > 79 81 Cl 0.21929202238273 0.65786920717044 0.45831505259984 35.453 > 81 82 Cl 0.71929202238273 0.65786920717044 0.45831505259984 35.453 > 81 83 Cl 0.03070797761727 0.15786920717044 0.45831505259984 35.453 > 83 84 Cl 0.53070797761727 0.15786920717044 0.45831505259984 35.453 > 83 85 Cl 0.28070797761727 0.15786920717044 0.04168494740016 35.453 > 85 86 Cl 0.78070797761727 0.15786920717044 0.04168494740016 35.453 > 85 87 Cl 0.21929202238273 0.84213079282956 0.95831505259984 35.453 > 87 88 Cl 0.71929202238273 0.84213079282956 0.95831505259984 35.453 > 87 89 Cl 0.28070797761727 0.34213079282956 0.54168494740016 35.453 > 89 90 Cl 0.78070797761727 0.34213079282956 0.54168494740016 35.453 > 89 91 Cl 0.03070797761727 0.34213079282956 0.95831505259984 35.453 > 91 92 Cl 0.53070797761727 0.34213079282956 0.95831505259984 35.453 > 91 93 Cl 0.46929202238273 0.84213079282956 0.54168494740016 35.453 > 93 94 Cl 0.96929202238273 0.84213079282956 0.54168494740016 35.453 > 93 95 Cl 0.46929202238273 0.65786920717044 0.04168494740016 35.453 > 95 96 Cl 0.96929202238273 0.65786920717044 0.04168494740016 35.453 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3857598 0.0000000 0.0000000 0.0000000 3.6347165 0.0000000 0.0000000 0.0000000 3.6274717 -------------------------- Born effective charges -------------------------- 1 Mg 2.2255960 -0.0973399 -0.0630531 0.0704728 1.9026708 -0.0022511 -0.0789945 -0.0087646 2.1934905 2 Mg 1.8108047 -0.0086026 0.0226197 -0.0364788 2.2116364 0.0480736 -0.1312784 -0.1371453 2.1502440 3 Mg 1.8108047 0.0086026 0.0226197 0.0364788 2.2116364 -0.0480736 -0.1312784 0.1371453 2.1502440 4 Mg 1.8108047 -0.0086026 -0.0226197 -0.0364788 2.2116364 -0.0480736 0.1312784 0.1371453 2.1502440 5 Mg 1.8108047 0.0086026 -0.0226197 0.0364788 2.2116364 0.0480736 0.1312784 -0.1371453 2.1502440 6 Mg 2.2255960 -0.0973399 0.0630531 0.0704728 1.9026708 0.0022511 0.0789945 0.0087646 2.1934905 7 Mg 2.2255960 0.0973399 -0.0630531 -0.0704728 1.9026708 0.0022511 -0.0789945 0.0087646 2.1934905 8 Mg 1.8108047 -0.0086026 -0.0226197 -0.0364788 2.2116364 -0.0480736 0.1312784 0.1371453 2.1502440 9 Mg 1.8108047 0.0086026 -0.0226197 0.0364788 2.2116364 0.0480736 0.1312784 -0.1371453 2.1502440 10 Mg 2.2255960 -0.0973399 -0.0630531 0.0704728 1.9026708 -0.0022511 -0.0789945 -0.0087646 2.1934905 11 Mg 2.2255960 0.0973399 -0.0630531 -0.0704728 1.9026708 0.0022511 -0.0789945 0.0087646 2.1934905 12 Mg 2.2255960 -0.0973399 0.0630531 0.0704728 1.9026708 0.0022511 0.0789945 0.0087646 2.1934905 13 Mg 1.8108047 0.0086026 0.0226197 0.0364788 2.2116364 -0.0480736 -0.1312784 0.1371453 2.1502440 14 Mg 1.8108047 -0.0086026 0.0226197 -0.0364788 2.2116364 0.0480736 -0.1312784 -0.1371453 2.1502440 15 Mg 2.2255960 0.0973399 0.0630531 -0.0704728 1.9026708 -0.0022511 0.0789945 -0.0087646 2.1934905 16 Mg 2.2255960 0.0973399 0.0630531 -0.0704728 1.9026708 -0.0022511 0.0789945 -0.0087646 2.1934905 17 B 0.6315721 0.6389756 -0.4951518 0.7490680 1.6838835 -1.2906316 -0.5085429 -1.2924544 1.2915183 18 B 0.6315721 -0.6389756 -0.4951518 -0.7490680 1.6838835 1.2906316 -0.5085429 1.2924544 1.2915183 19 B 0.6315721 0.6389756 0.4951518 0.7490680 1.6838835 1.2906316 0.5085429 1.2924544 1.2915183 20 B 0.6315721 0.6389756 -0.4951518 0.7490680 1.6838835 -1.2906316 -0.5085429 -1.2924544 1.2915183 21 B 0.6315721 -0.6389756 -0.4951518 -0.7490680 1.6838835 1.2906316 -0.5085429 1.2924544 1.2915183 22 B 0.6315721 -0.6389756 0.4951518 -0.7490680 1.6838835 -1.2906316 0.5085429 -1.2924544 1.2915183 23 B 0.6315721 -0.6389756 0.4951518 -0.7490680 1.6838835 -1.2906316 0.5085429 -1.2924544 1.2915183 24 B 0.6315721 0.6389756 0.4951518 0.7490680 1.6838835 1.2906316 0.5085429 1.2924544 1.2915183 25 N -1.6863205 -0.1385226 -0.2615298 -0.3569913 -2.2797218 -0.6121045 -0.2772644 -0.5967816 -2.1673783 26 N -1.6863205 0.1385226 -0.2615298 0.3569913 -2.2797218 0.6121045 -0.2772644 0.5967816 -2.1673783 27 N -1.8810606 0.2804144 0.2739064 0.3579839 -2.2188075 -0.6191823 0.2562845 -0.6243448 -2.0780497 28 N -1.8810606 0.2804144 0.2739064 0.3579839 -2.2188075 -0.6191823 0.2562845 -0.6243448 -2.0780497 29 N -1.8810606 -0.2804144 0.2739064 -0.3579839 -2.2188075 0.6191823 0.2562845 0.6243448 -2.0780497 30 N -1.6863205 -0.1385226 0.2615298 -0.3569913 -2.2797218 0.6121045 0.2772644 0.5967816 -2.1673783 31 N -1.8810606 -0.2804144 0.2739064 -0.3579839 -2.2188075 0.6191823 0.2562845 0.6243448 -2.0780497 32 N -1.6863205 -0.1385226 -0.2615298 -0.3569913 -2.2797218 -0.6121045 -0.2772644 -0.5967816 -2.1673783 33 N -1.8810606 -0.2804144 -0.2739064 -0.3579839 -2.2188075 -0.6191823 -0.2562845 -0.6243448 -2.0780497 34 N -1.6863205 -0.1385226 0.2615298 -0.3569913 -2.2797218 0.6121045 0.2772644 0.5967816 -2.1673783 35 N -1.8810606 0.2804144 -0.2739064 0.3579839 -2.2188075 0.6191823 -0.2562845 0.6243448 -2.0780497 36 N -1.8810606 -0.2804144 -0.2739064 -0.3579839 -2.2188075 -0.6191823 -0.2562845 -0.6243448 -2.0780497 37 N -1.6863205 0.1385226 0.2615298 0.3569913 -2.2797218 -0.6121045 0.2772644 -0.5967816 -2.1673783 38 N -1.8810606 0.2804144 -0.2739064 0.3579839 -2.2188075 0.6191823 -0.2562845 0.6243448 -2.0780497 39 N -1.6863205 0.1385226 0.2615298 0.3569913 -2.2797218 -0.6121045 0.2772644 -0.5967816 -2.1673783 40 N -1.6863205 0.1385226 -0.2615298 0.3569913 -2.2797218 0.6121045 -0.2772644 0.5967816 -2.1673783 41 Cl -1.1005918 -0.0095706 -0.0763414 -0.0205918 -1.2996614 0.0472674 -0.0911624 -0.0318669 -1.3898249 42 Cl -1.1005918 0.0095706 0.0763414 0.0205918 -1.2996614 0.0472674 0.0911624 -0.0318669 -1.3898249 43 Cl -1.1005918 0.0095706 -0.0763414 0.0205918 -1.2996614 -0.0472674 -0.0911624 0.0318669 -1.3898249 44 Cl -1.1005918 0.0095706 -0.0763414 0.0205918 -1.2996614 -0.0472674 -0.0911624 0.0318669 -1.3898249 45 Cl -1.1005918 -0.0095706 -0.0763414 -0.0205918 -1.2996614 0.0472674 -0.0911624 -0.0318669 -1.3898249 46 Cl -1.1005918 -0.0095706 0.0763414 -0.0205918 -1.2996614 -0.0472674 0.0911624 0.0318669 -1.3898249 47 Cl -1.1005918 0.0095706 0.0763414 0.0205918 -1.2996614 0.0472674 0.0911624 -0.0318669 -1.3898249 48 Cl -1.1005918 -0.0095706 0.0763414 -0.0205918 -1.2996614 -0.0472674 0.0911624 0.0318669 -1.3898249 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 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: 0.47, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 6.911 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.126 ( 0.000 0.000 0.000) 0.000 7.387 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 7.713 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 9.157 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 9.605 ( 0.000 0.000 0.000) 0.000 9.657 ( 0.000 0.000 0.000) 0.000 9.788 ( 0.000 0.000 0.000) 0.000 10.223 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 10.598 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.705 ( 0.000 0.000 0.000) 0.000 10.762 ( 0.000 0.000 0.000) 0.000 10.805 ( 0.000 0.000 0.000) 0.000 10.912 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.853 ( 0.000 0.000 0.000) 0.000 11.996 ( 0.000 0.000 0.000) 0.000 12.050 ( 0.000 0.000 0.000) 0.000 12.443 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.740 ( 0.000 0.000 0.000) 0.000 12.883 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 13.176 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 13.431 ( 0.000 0.000 0.000) 0.000 13.520 ( 0.000 0.000 0.000) 0.000 13.882 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.203 ( 0.000 0.000 0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 14.346 ( 0.000 0.000 0.000) 0.000 14.392 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.601 ( 0.000 0.000 0.000) 0.000 14.959 ( 0.000 0.000 0.000) 0.000 15.271 ( 0.000 0.000 0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 15.386 ( 0.000 0.000 0.000) 0.000 15.692 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 15.933 ( 0.000 0.000 0.000) 0.000 16.608 ( 0.000 0.000 0.000) 0.000 17.705 ( 0.000 0.000 0.000) 0.000 17.730 ( 0.000 0.000 0.000) 0.000 17.771 ( 0.000 0.000 0.000) 0.000 17.780 ( 0.000 0.000 0.000) 0.000 18.629 ( 0.000 0.000 0.000) 0.000 18.704 ( 0.000 0.000 0.000) 0.000 18.726 ( 0.000 0.000 0.000) 0.000 18.826 ( 0.000 0.000 0.000) 0.000 18.844 ( 0.000 0.000 0.000) 0.000 18.882 ( 0.000 0.000 0.000) 0.000 19.056 ( 0.000 0.000 0.000) 0.000 19.152 ( 0.000 0.000 0.000) 0.000 19.203 ( 0.000 0.000 0.000) 0.000 19.209 ( 0.000 0.000 0.000) 0.000 19.284 ( 0.000 0.000 0.000) 0.000 19.664 ( 0.000 0.000 0.000) 0.000 31.818 ( 0.000 0.000 0.000) 0.000 31.825 ( 0.000 0.000 0.000) 0.000 31.834 ( 0.000 0.000 0.000) 0.000 31.879 ( 0.000 0.000 0.000) 0.000 31.903 ( 0.000 0.000 0.000) 0.000 31.992 ( 0.000 0.000 0.000) 0.000 32.007 ( 0.000 0.000 0.000) 0.000 32.016 ( 0.000 0.000 0.000) 0.000 52.191 ( 0.000 0.000 0.000) 0.000 52.276 ( 0.000 0.000 0.000) 0.000 52.307 ( 0.000 0.000 0.000) 0.000 52.408 ( 0.000 0.000 0.000) 0.000 53.036 ( 0.000 0.000 0.000) 0.000 53.353 ( 0.000 0.000 0.000) 0.000 53.461 ( 0.000 0.000 0.000) 0.000 53.550 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 33.426 0.000 0.000) 33.426 0.691 ( 35.850 0.000 0.000) 35.850 1.204 ( 61.195 0.000 0.000) 61.195 1.390 ( 12.945 0.000 0.000) 12.945 2.484 ( 9.218 0.000 0.000) 9.218 2.660 ( -4.026 0.000 0.000) 4.026 2.701 ( -4.593 0.000 0.000) 4.593 2.821 ( 12.529 0.000 0.000) 12.529 2.893 ( -3.154 0.000 0.000) 3.154 3.021 ( 0.339 0.000 0.000) 0.339 3.051 ( 6.257 0.000 0.000) 6.257 3.309 ( 2.132 0.000 0.000) 2.132 3.327 ( 0.611 0.000 0.000) 0.611 3.355 ( -3.995 0.000 0.000) 3.995 3.411 ( -1.558 0.000 0.000) 1.558 3.478 ( -1.485 0.000 0.000) 1.485 3.536 ( 0.897 0.000 0.000) 0.897 3.599 ( 2.732 0.000 0.000) 2.732 3.622 ( 2.951 0.000 0.000) 2.951 3.772 ( 0.105 0.000 0.000) 0.105 3.832 ( -7.389 0.000 0.000) 7.389 3.958 ( -5.960 0.000 0.000) 5.960 4.063 ( 17.670 0.000 0.000) 17.670 4.109 ( 1.449 0.000 0.000) 1.449 4.164 ( 8.205 0.000 0.000) 8.205 4.262 ( 4.966 0.000 0.000) 4.966 4.264 ( -1.887 0.000 0.000) 1.887 4.356 ( -17.721 0.000 0.000) 17.721 4.517 ( 6.534 0.000 0.000) 6.534 4.567 ( 2.515 0.000 0.000) 2.515 4.675 ( -2.423 0.000 0.000) 2.423 4.677 ( 3.589 0.000 0.000) 3.589 4.730 ( -6.448 0.000 0.000) 6.448 4.861 ( -7.040 0.000 0.000) 7.040 4.952 ( 3.107 0.000 0.000) 3.107 5.063 ( 3.225 0.000 0.000) 3.225 5.163 ( -7.826 0.000 0.000) 7.826 5.233 ( 14.065 0.000 0.000) 14.065 5.238 ( -3.972 0.000 0.000) 3.972 5.401 ( 9.199 0.000 0.000) 9.199 5.419 ( 3.344 0.000 0.000) 3.344 5.676 ( -3.881 0.000 0.000) 3.881 5.710 ( -0.858 0.000 0.000) 0.858 5.806 ( 2.607 0.000 0.000) 2.607 5.880 ( -15.343 0.000 0.000) 15.343 5.904 ( -0.672 0.000 0.000) 0.672 5.928 ( -2.248 0.000 0.000) 2.248 6.091 ( 4.288 0.000 0.000) 4.288 6.170 ( -0.914 0.000 0.000) 0.914 6.206 ( -7.434 0.000 0.000) 7.434 6.387 ( 1.746 0.000 0.000) 1.746 6.583 ( -8.648 0.000 0.000) 8.648 6.642 ( -7.350 0.000 0.000) 7.350 6.815 ( 1.767 0.000 0.000) 1.767 6.866 ( -4.043 0.000 0.000) 4.043 6.945 ( -4.935 0.000 0.000) 4.935 7.145 ( 0.354 0.000 0.000) 0.354 7.154 ( 26.051 0.000 0.000) 26.051 7.170 ( 8.842 0.000 0.000) 8.842 7.390 ( -1.472 0.000 0.000) 1.472 7.470 ( 5.741 0.000 0.000) 5.741 7.574 ( -9.157 0.000 0.000) 9.157 7.778 ( -0.971 0.000 0.000) 0.971 7.808 ( 0.342 0.000 0.000) 0.342 8.124 ( 13.538 0.000 0.000) 13.538 8.344 ( 10.869 0.000 0.000) 10.869 8.953 ( -23.045 0.000 0.000) 23.045 9.205 ( 4.717 0.000 0.000) 4.717 9.532 ( -7.300 0.000 0.000) 7.300 9.591 ( -5.308 0.000 0.000) 5.308 9.618 ( 3.272 0.000 0.000) 3.272 9.785 ( -0.319 0.000 0.000) 0.319 10.118 ( 0.679 0.000 0.000) 0.679 10.222 ( -0.881 0.000 0.000) 0.881 10.383 ( -13.760 0.000 0.000) 13.760 10.480 ( -7.889 0.000 0.000) 7.889 10.585 ( -1.991 0.000 0.000) 1.991 10.738 ( 10.450 0.000 0.000) 10.450 10.826 ( 2.278 0.000 0.000) 2.278 11.081 ( 7.526 0.000 0.000) 7.526 11.082 ( 3.207 0.000 0.000) 3.207 11.179 ( 6.762 0.000 0.000) 6.762 11.662 ( -4.536 0.000 0.000) 4.536 11.740 ( -11.775 0.000 0.000) 11.775 11.794 ( -13.649 0.000 0.000) 13.649 12.183 ( 7.581 0.000 0.000) 7.581 12.410 ( -17.834 0.000 0.000) 17.834 12.821 ( 7.067 0.000 0.000) 7.067 12.850 ( 2.526 0.000 0.000) 2.526 12.967 ( -3.943 0.000 0.000) 3.943 13.182 ( -1.760 0.000 0.000) 1.760 13.204 ( 3.125 0.000 0.000) 3.125 13.267 ( 16.291 0.000 0.000) 16.291 13.471 ( 3.566 0.000 0.000) 3.566 13.491 ( -2.918 0.000 0.000) 2.918 13.898 ( 1.756 0.000 0.000) 1.756 13.959 ( -2.774 0.000 0.000) 2.774 14.089 ( -1.540 0.000 0.000) 1.540 14.138 ( -4.312 0.000 0.000) 4.312 14.299 ( 3.683 0.000 0.000) 3.683 14.347 ( -0.218 0.000 0.000) 0.218 14.444 ( 4.477 0.000 0.000) 4.477 14.448 ( 3.220 0.000 0.000) 3.220 14.674 ( -5.161 0.000 0.000) 5.161 14.958 ( -0.077 0.000 0.000) 0.077 15.231 ( -3.714 0.000 0.000) 3.714 15.325 ( -2.155 0.000 0.000) 2.155 15.470 ( 3.636 0.000 0.000) 3.636 15.711 ( 1.768 0.000 0.000) 1.768 15.863 ( -6.547 0.000 0.000) 6.547 15.906 ( -1.209 0.000 0.000) 1.209 16.522 ( -8.410 0.000 0.000) 8.410 17.779 ( 7.434 0.000 0.000) 7.434 17.814 ( 8.220 0.000 0.000) 8.220 17.883 ( 10.825 0.000 0.000) 10.825 18.629 ( -0.098 0.000 0.000) 0.098 18.678 ( -2.273 0.000 0.000) 2.273 18.727 ( -0.037 0.000 0.000) 0.037 18.848 ( 1.483 0.000 0.000) 1.483 18.849 ( 0.406 0.000 0.000) 0.406 18.911 ( 3.381 0.000 0.000) 3.381 19.033 ( -2.178 0.000 0.000) 2.178 19.101 ( -1.853 0.000 0.000) 1.853 19.207 ( 0.333 0.000 0.000) 0.333 19.215 ( 0.453 0.000 0.000) 0.453 19.307 ( 2.131 0.000 0.000) 2.131 19.571 ( -2.422 0.000 0.000) 2.422 19.636 ( -2.825 0.000 0.000) 2.825 31.821 ( 0.253 0.000 0.000) 0.253 31.824 ( -0.076 0.000 0.000) 0.076 31.836 ( 0.286 0.000 0.000) 0.286 31.884 ( 0.510 0.000 0.000) 0.510 31.900 ( -0.317 0.000 0.000) 0.317 31.993 ( 0.073 0.000 0.000) 0.073 32.002 ( -0.481 0.000 0.000) 0.481 32.012 ( -0.820 0.000 0.000) 0.820 52.192 ( 0.156 0.000 0.000) 0.156 52.285 ( 0.937 0.000 0.000) 0.937 52.305 ( -0.266 0.000 0.000) 0.266 52.406 ( -0.200 0.000 0.000) 0.200 53.038 ( 0.374 0.000 0.000) 0.374 53.342 ( -1.143 0.000 0.000) 1.143 53.427 ( -3.317 0.000 0.000) 3.317 53.746 ( -6.325 0.000 0.000) 6.325 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 35.238 0.000 0.000) 35.238 1.350 ( 33.186 0.000 0.000) 33.186 1.707 ( 19.211 0.000 0.000) 19.211 2.259 ( 46.726 0.000 0.000) 46.726 2.584 ( -2.853 0.000 0.000) 2.853 2.662 ( 0.797 0.000 0.000) 0.797 2.752 ( 6.184 0.000 0.000) 6.184 2.819 ( 2.919 0.000 0.000) 2.919 2.848 ( -0.831 0.000 0.000) 0.831 2.960 ( -4.693 0.000 0.000) 4.693 3.204 ( 9.155 0.000 0.000) 9.155 3.342 ( -1.651 0.000 0.000) 1.651 3.359 ( -1.007 0.000 0.000) 1.007 3.368 ( 4.347 0.000 0.000) 4.347 3.393 ( -1.635 0.000 0.000) 1.635 3.421 ( -5.816 0.000 0.000) 5.816 3.605 ( 6.012 0.000 0.000) 6.012 3.628 ( -0.940 0.000 0.000) 0.940 3.718 ( 5.571 0.000 0.000) 5.571 3.761 ( -2.929 0.000 0.000) 2.929 3.764 ( -1.027 0.000 0.000) 1.027 3.901 ( 0.548 0.000 0.000) 0.548 4.001 ( -16.496 0.000 0.000) 16.496 4.094 ( -7.358 0.000 0.000) 7.358 4.172 ( -1.144 0.000 0.000) 1.144 4.317 ( 2.338 0.000 0.000) 2.338 4.355 ( 11.131 0.000 0.000) 11.131 4.395 ( 16.438 0.000 0.000) 16.438 4.522 ( -5.973 0.000 0.000) 5.973 4.618 ( 0.661 0.000 0.000) 0.661 4.648 ( 2.503 0.000 0.000) 2.503 4.688 ( -4.460 0.000 0.000) 4.460 4.771 ( 5.128 0.000 0.000) 5.128 4.826 ( 12.827 0.000 0.000) 12.827 5.022 ( 3.534 0.000 0.000) 3.534 5.038 ( -2.679 0.000 0.000) 2.679 5.125 ( -7.725 0.000 0.000) 7.725 5.130 ( 5.042 0.000 0.000) 5.042 5.435 ( -2.435 0.000 0.000) 2.435 5.482 ( 3.024 0.000 0.000) 3.024 5.570 ( -7.424 0.000 0.000) 7.424 5.582 ( -11.771 0.000 0.000) 11.771 5.633 ( 20.359 0.000 0.000) 20.359 5.773 ( 2.213 0.000 0.000) 2.213 5.866 ( 2.796 0.000 0.000) 2.796 5.898 ( 0.616 0.000 0.000) 0.616 5.920 ( 2.546 0.000 0.000) 2.546 6.041 ( -8.548 0.000 0.000) 8.548 6.132 ( -4.492 0.000 0.000) 4.492 6.221 ( 9.138 0.000 0.000) 9.138 6.327 ( -13.470 0.000 0.000) 13.470 6.443 ( -11.738 0.000 0.000) 11.738 6.460 ( 5.308 0.000 0.000) 5.308 6.809 ( -2.232 0.000 0.000) 2.232 6.814 ( -1.309 0.000 0.000) 1.309 6.867 ( -4.631 0.000 0.000) 4.631 7.064 ( -9.412 0.000 0.000) 9.412 7.244 ( 0.353 0.000 0.000) 0.353 7.446 ( -4.058 0.000 0.000) 4.058 7.477 ( 10.120 0.000 0.000) 10.120 7.540 ( 1.018 0.000 0.000) 1.018 7.711 ( 18.989 0.000 0.000) 18.989 7.777 ( 1.179 0.000 0.000) 1.179 7.851 ( 13.068 0.000 0.000) 13.068 8.388 ( 13.624 0.000 0.000) 13.624 8.438 ( -30.146 0.000 0.000) 30.146 8.561 ( 10.719 0.000 0.000) 10.719 9.313 ( 6.016 0.000 0.000) 6.016 9.355 ( -10.563 0.000 0.000) 10.563 9.536 ( 1.224 0.000 0.000) 1.224 9.640 ( -0.280 0.000 0.000) 0.280 9.773 ( -1.153 0.000 0.000) 1.153 10.050 ( -17.038 0.000 0.000) 17.038 10.128 ( 0.435 0.000 0.000) 0.435 10.179 ( -2.958 0.000 0.000) 2.958 10.377 ( -6.819 0.000 0.000) 6.819 10.520 ( -4.971 0.000 0.000) 4.971 10.892 ( 4.492 0.000 0.000) 4.492 10.979 ( 13.620 0.000 0.000) 13.620 11.072 ( -10.510 0.000 0.000) 10.510 11.152 ( 3.471 0.000 0.000) 3.471 11.345 ( 10.095 0.000 0.000) 10.095 11.459 ( -14.642 0.000 0.000) 14.642 11.533 ( -12.750 0.000 0.000) 12.750 11.564 ( -5.009 0.000 0.000) 5.009 12.121 ( -12.169 0.000 0.000) 12.169 12.334 ( 8.292 0.000 0.000) 8.292 12.875 ( -5.463 0.000 0.000) 5.463 12.936 ( 6.031 0.000 0.000) 6.031 12.948 ( 5.280 0.000 0.000) 5.280 13.137 ( -2.824 0.000 0.000) 2.824 13.300 ( 6.933 0.000 0.000) 6.933 13.417 ( -4.661 0.000 0.000) 4.661 13.515 ( 9.582 0.000 0.000) 9.582 13.543 ( 3.537 0.000 0.000) 3.537 13.887 ( -4.260 0.000 0.000) 4.260 13.947 ( 3.225 0.000 0.000) 3.225 14.059 ( -3.700 0.000 0.000) 3.700 14.072 ( -0.485 0.000 0.000) 0.485 14.313 ( -4.286 0.000 0.000) 4.286 14.369 ( 3.671 0.000 0.000) 3.671 14.530 ( 4.885 0.000 0.000) 4.885 14.530 ( 4.129 0.000 0.000) 4.129 14.569 ( -4.628 0.000 0.000) 4.628 14.958 ( 0.057 0.000 0.000) 0.057 15.147 ( -4.794 0.000 0.000) 4.794 15.295 ( -0.225 0.000 0.000) 0.225 15.554 ( 4.922 0.000 0.000) 4.922 15.722 ( -7.579 0.000 0.000) 7.579 15.749 ( 2.184 0.000 0.000) 2.184 15.871 ( -2.400 0.000 0.000) 2.400 16.319 ( -12.218 0.000 0.000) 12.218 17.966 ( 11.512 0.000 0.000) 11.512 18.012 ( 11.848 0.000 0.000) 11.848 18.131 ( 13.999 0.000 0.000) 13.999 18.622 ( -0.829 0.000 0.000) 0.829 18.624 ( -3.562 0.000 0.000) 3.562 18.714 ( -1.631 0.000 0.000) 1.631 18.857 ( 0.471 0.000 0.000) 0.471 18.873 ( 1.381 0.000 0.000) 1.381 18.984 ( -2.827 0.000 0.000) 2.827 19.004 ( 5.937 0.000 0.000) 5.937 19.056 ( -2.712 0.000 0.000) 2.712 19.215 ( 0.600 0.000 0.000) 0.600 19.222 ( 0.210 0.000 0.000) 0.210 19.354 ( 2.638 0.000 0.000) 2.638 19.505 ( -4.491 0.000 0.000) 4.491 19.568 ( -3.924 0.000 0.000) 3.924 31.824 ( 0.027 0.000 0.000) 0.027 31.826 ( 0.261 0.000 0.000) 0.261 31.844 ( 0.516 0.000 0.000) 0.516 31.892 ( -0.536 0.000 0.000) 0.536 31.897 ( 0.825 0.000 0.000) 0.825 31.991 ( -1.338 0.000 0.000) 1.338 31.992 ( -0.507 0.000 0.000) 0.507 31.994 ( -0.056 0.000 0.000) 0.056 52.199 ( 0.610 0.000 0.000) 0.610 52.295 ( -0.768 0.000 0.000) 0.768 52.309 ( 1.592 0.000 0.000) 1.592 52.400 ( -0.425 0.000 0.000) 0.425 53.055 ( 1.620 0.000 0.000) 1.620 53.312 ( -1.872 0.000 0.000) 1.872 53.351 ( -4.206 0.000 0.000) 4.206 53.586 ( -9.978 0.000 0.000) 9.978 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 32.590 0.000 0.000) 32.590 1.932 ( 27.401 0.000 0.000) 27.401 2.066 ( 16.845 0.000 0.000) 16.845 2.589 ( -8.879 0.000 0.000) 8.879 2.600 ( 5.807 0.000 0.000) 5.807 2.628 ( -8.596 0.000 0.000) 8.596 2.743 ( 8.449 0.000 0.000) 8.449 2.870 ( 2.581 0.000 0.000) 2.581 3.086 ( 3.204 0.000 0.000) 3.204 3.099 ( 16.723 0.000 0.000) 16.723 3.164 ( -21.781 0.000 0.000) 21.781 3.261 ( -3.600 0.000 0.000) 3.600 3.304 ( 0.772 0.000 0.000) 0.772 3.374 ( 7.961 0.000 0.000) 7.961 3.400 ( 3.058 0.000 0.000) 3.058 3.455 ( 2.497 0.000 0.000) 2.497 3.549 ( -6.400 0.000 0.000) 6.400 3.652 ( -1.806 0.000 0.000) 1.806 3.665 ( -3.461 0.000 0.000) 3.461 3.665 ( -12.623 0.000 0.000) 12.623 3.725 ( -1.662 0.000 0.000) 1.662 3.808 ( -6.853 0.000 0.000) 6.853 3.986 ( 7.575 0.000 0.000) 7.575 4.040 ( 10.748 0.000 0.000) 10.748 4.262 ( 9.028 0.000 0.000) 9.028 4.370 ( 3.117 0.000 0.000) 3.117 4.390 ( -6.899 0.000 0.000) 6.899 4.549 ( -7.048 0.000 0.000) 7.048 4.566 ( 10.639 0.000 0.000) 10.639 4.568 ( -6.352 0.000 0.000) 6.352 4.702 ( 12.448 0.000 0.000) 12.448 4.774 ( 6.683 0.000 0.000) 6.683 4.931 ( -11.685 0.000 0.000) 11.685 4.931 ( 9.493 0.000 0.000) 9.493 5.060 ( -1.415 0.000 0.000) 1.415 5.092 ( 11.359 0.000 0.000) 11.359 5.175 ( 17.851 0.000 0.000) 17.851 5.243 ( 5.431 0.000 0.000) 5.431 5.384 ( 0.900 0.000 0.000) 0.900 5.385 ( -11.372 0.000 0.000) 11.372 5.390 ( -7.073 0.000 0.000) 7.073 5.453 ( -4.545 0.000 0.000) 4.545 5.794 ( -4.040 0.000 0.000) 4.040 5.848 ( -7.107 0.000 0.000) 7.107 5.926 ( 7.632 0.000 0.000) 7.632 5.928 ( -2.064 0.000 0.000) 2.064 5.934 ( -9.976 0.000 0.000) 9.976 5.946 ( 4.480 0.000 0.000) 4.480 6.076 ( 11.291 0.000 0.000) 11.291 6.228 ( 1.387 0.000 0.000) 1.387 6.247 ( -8.297 0.000 0.000) 8.297 6.403 ( 9.460 0.000 0.000) 9.460 6.507 ( -4.074 0.000 0.000) 4.074 6.746 ( -7.858 0.000 0.000) 7.858 6.794 ( -0.228 0.000 0.000) 0.228 6.827 ( 7.576 0.000 0.000) 7.576 6.871 ( -7.065 0.000 0.000) 7.065 7.299 ( 6.051 0.000 0.000) 6.051 7.408 ( 0.663 0.000 0.000) 0.663 7.493 ( -6.902 0.000 0.000) 6.902 7.674 ( 9.335 0.000 0.000) 9.335 7.683 ( -8.185 0.000 0.000) 8.185 7.811 ( 0.916 0.000 0.000) 0.916 7.849 ( -29.478 0.000 0.000) 29.478 8.395 ( 28.996 0.000 0.000) 28.996 8.618 ( 9.808 0.000 0.000) 9.808 8.721 ( 5.822 0.000 0.000) 5.822 9.144 ( -11.877 0.000 0.000) 11.877 9.444 ( 8.432 0.000 0.000) 8.432 9.635 ( 0.355 0.000 0.000) 0.355 9.638 ( 8.409 0.000 0.000) 8.409 9.733 ( -3.167 0.000 0.000) 3.167 9.777 ( -11.420 0.000 0.000) 11.420 10.153 ( 2.862 0.000 0.000) 2.862 10.163 ( 3.062 0.000 0.000) 3.062 10.180 ( -14.209 0.000 0.000) 14.209 10.396 ( -7.772 0.000 0.000) 7.772 10.718 ( -22.480 0.000 0.000) 22.480 10.990 ( 5.682 0.000 0.000) 5.682 11.193 ( 0.866 0.000 0.000) 0.866 11.201 ( 7.260 0.000 0.000) 7.260 11.247 ( -8.632 0.000 0.000) 8.632 11.355 ( -3.735 0.000 0.000) 3.735 11.491 ( -2.945 0.000 0.000) 2.945 11.544 ( 10.542 0.000 0.000) 10.542 11.923 ( -9.476 0.000 0.000) 9.476 12.492 ( 8.137 0.000 0.000) 8.137 12.764 ( -6.220 0.000 0.000) 6.220 13.015 ( 2.123 0.000 0.000) 2.123 13.065 ( 7.202 0.000 0.000) 7.202 13.084 ( -2.519 0.000 0.000) 2.519 13.318 ( -5.736 0.000 0.000) 5.736 13.448 ( 7.843 0.000 0.000) 7.843 13.589 ( 0.996 0.000 0.000) 0.996 13.648 ( 5.136 0.000 0.000) 5.136 13.807 ( -4.061 0.000 0.000) 4.061 14.007 ( 2.745 0.000 0.000) 2.745 14.012 ( -0.802 0.000 0.000) 0.802 14.063 ( -0.571 0.000 0.000) 0.571 14.182 ( -8.296 0.000 0.000) 8.296 14.436 ( 3.243 0.000 0.000) 3.243 14.517 ( -1.478 0.000 0.000) 1.478 14.594 ( 2.516 0.000 0.000) 2.516 14.607 ( 2.609 0.000 0.000) 2.609 14.965 ( 0.847 0.000 0.000) 0.847 15.060 ( -4.179 0.000 0.000) 4.179 15.338 ( 4.771 0.000 0.000) 4.771 15.587 ( -6.714 0.000 0.000) 6.714 15.649 ( 5.000 0.000 0.000) 5.000 15.799 ( 3.450 0.000 0.000) 3.450 15.815 ( -3.508 0.000 0.000) 3.508 16.085 ( -11.713 0.000 0.000) 11.713 18.191 ( 11.653 0.000 0.000) 11.653 18.242 ( 11.894 0.000 0.000) 11.894 18.379 ( 11.564 0.000 0.000) 11.564 18.536 ( -5.969 0.000 0.000) 5.969 18.579 ( -4.358 0.000 0.000) 4.358 18.661 ( -3.947 0.000 0.000) 3.947 18.867 ( 0.696 0.000 0.000) 0.696 18.905 ( 1.971 0.000 0.000) 1.971 18.931 ( -2.588 0.000 0.000) 2.588 19.002 ( -2.919 0.000 0.000) 2.919 19.124 ( 6.261 0.000 0.000) 6.261 19.221 ( -0.273 0.000 0.000) 0.273 19.231 ( 1.245 0.000 0.000) 1.245 19.402 ( 2.402 0.000 0.000) 2.402 19.405 ( -5.894 0.000 0.000) 5.894 19.499 ( -3.208 0.000 0.000) 3.208 31.826 ( 0.151 0.000 0.000) 0.151 31.829 ( 0.059 0.000 0.000) 0.059 31.855 ( 0.636 0.000 0.000) 0.636 31.880 ( -0.647 0.000 0.000) 0.647 31.915 ( 1.064 0.000 0.000) 1.064 31.964 ( -1.460 0.000 0.000) 1.460 31.985 ( -0.144 0.000 0.000) 0.144 31.991 ( -0.233 0.000 0.000) 0.233 52.217 ( 1.250 0.000 0.000) 1.250 52.275 ( -1.389 0.000 0.000) 1.389 52.342 ( 1.684 0.000 0.000) 1.684 52.389 ( -0.760 0.000 0.000) 0.760 53.109 ( 4.194 0.000 0.000) 4.194 53.277 ( -1.604 0.000 0.000) 1.604 53.284 ( -2.517 0.000 0.000) 2.517 53.390 ( -10.079 0.000 0.000) 10.079 ======================= Grid point 4 (5/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -3.420 0.000 0.000) 3.420 2.284 ( 3.420 0.000 0.000) 3.420 2.368 ( -18.249 0.000 0.000) 18.249 2.368 ( 18.249 0.000 0.000) 18.249 2.642 ( -19.217 0.000 0.000) 19.217 2.642 ( 19.217 0.000 0.000) 19.217 2.872 ( -4.208 0.000 0.000) 4.208 2.872 ( 4.208 0.000 0.000) 4.208 2.872 ( -12.100 0.000 0.000) 12.100 2.872 ( 12.100 0.000 0.000) 12.100 3.262 ( -1.127 0.000 0.000) 1.127 3.262 ( 1.127 0.000 0.000) 1.127 3.428 ( -0.490 0.000 0.000) 0.490 3.428 ( 0.490 0.000 0.000) 0.490 3.455 ( -2.889 0.000 0.000) 2.889 3.455 ( 2.889 0.000 0.000) 2.889 3.483 ( -3.684 0.000 0.000) 3.684 3.483 ( 3.684 0.000 0.000) 3.684 3.619 ( -1.800 0.000 0.000) 1.800 3.619 ( 1.800 0.000 0.000) 1.800 3.712 ( -0.888 0.000 0.000) 0.888 3.712 ( 0.888 0.000 0.000) 0.888 4.143 ( -6.898 0.000 0.000) 6.898 4.143 ( 6.898 0.000 0.000) 6.898 4.363 ( -7.345 0.000 0.000) 7.345 4.363 ( 7.345 0.000 0.000) 7.345 4.463 ( -2.981 0.000 0.000) 2.981 4.463 ( 2.981 0.000 0.000) 2.981 4.605 ( -21.464 0.000 0.000) 21.464 4.605 ( 21.464 0.000 0.000) 21.464 4.730 ( -5.359 0.000 0.000) 5.359 4.730 ( 5.359 0.000 0.000) 5.359 4.948 ( -8.577 0.000 0.000) 8.577 4.948 ( 8.577 0.000 0.000) 8.577 5.115 ( -9.539 0.000 0.000) 9.539 5.115 ( 9.539 0.000 0.000) 9.539 5.303 ( -1.705 0.000 0.000) 1.705 5.303 ( 1.705 0.000 0.000) 1.705 5.334 ( -7.194 0.000 0.000) 7.194 5.334 ( 7.194 0.000 0.000) 7.194 5.508 ( -2.170 0.000 0.000) 2.170 5.508 ( 2.170 0.000 0.000) 2.170 5.638 ( -7.311 0.000 0.000) 7.311 5.638 ( 7.311 0.000 0.000) 7.311 5.901 ( -1.230 0.000 0.000) 1.230 5.901 ( 1.230 0.000 0.000) 1.230 6.015 ( -0.561 0.000 0.000) 0.561 6.015 ( 0.561 0.000 0.000) 0.561 6.151 ( -0.774 0.000 0.000) 0.774 6.151 ( 0.774 0.000 0.000) 0.774 6.332 ( -9.505 0.000 0.000) 9.505 6.332 ( 9.505 0.000 0.000) 9.505 6.583 ( -9.131 0.000 0.000) 9.131 6.583 ( 9.131 0.000 0.000) 9.131 6.810 ( -1.659 0.000 0.000) 1.659 6.810 ( 1.659 0.000 0.000) 1.659 7.167 ( -24.910 0.000 0.000) 24.910 7.167 ( 24.910 0.000 0.000) 24.910 7.459 ( -10.855 0.000 0.000) 10.855 7.459 ( 10.855 0.000 0.000) 10.855 7.503 ( -8.907 0.000 0.000) 8.907 7.503 ( 8.907 0.000 0.000) 8.907 7.801 ( -3.540 0.000 0.000) 3.540 7.801 ( 3.540 0.000 0.000) 3.540 8.729 ( -0.261 0.000 0.000) 0.261 8.729 ( 0.261 0.000 0.000) 0.261 8.878 ( -16.330 0.000 0.000) 16.330 8.878 ( 16.330 0.000 0.000) 16.330 9.605 ( -7.785 0.000 0.000) 7.785 9.605 ( 7.785 0.000 0.000) 7.785 9.667 ( -3.020 0.000 0.000) 3.020 9.667 ( 3.020 0.000 0.000) 3.020 9.868 ( -16.314 0.000 0.000) 16.314 9.868 ( 16.314 0.000 0.000) 16.314 10.248 ( -7.010 0.000 0.000) 7.010 10.248 ( 7.010 0.000 0.000) 7.010 10.341 ( -15.557 0.000 0.000) 15.557 10.341 ( 15.557 0.000 0.000) 15.557 11.105 ( -6.586 0.000 0.000) 6.586 11.105 ( 6.586 0.000 0.000) 6.586 11.209 ( -1.521 0.000 0.000) 1.521 11.209 ( 1.521 0.000 0.000) 1.521 11.420 ( -5.154 0.000 0.000) 5.154 11.420 ( 5.154 0.000 0.000) 5.154 11.740 ( -10.004 0.000 0.000) 10.004 11.740 ( 10.004 0.000 0.000) 10.004 12.637 ( -7.157 0.000 0.000) 7.157 12.637 ( 7.157 0.000 0.000) 7.157 13.046 ( -1.551 0.000 0.000) 1.551 13.046 ( 1.551 0.000 0.000) 1.551 13.199 ( -6.743 0.000 0.000) 6.743 13.199 ( 6.743 0.000 0.000) 6.743 13.566 ( -3.836 0.000 0.000) 3.836 13.566 ( 3.836 0.000 0.000) 3.836 13.732 ( -4.009 0.000 0.000) 4.009 13.732 ( 4.009 0.000 0.000) 4.009 14.046 ( -1.359 0.000 0.000) 1.359 14.046 ( 1.359 0.000 0.000) 1.359 14.048 ( -4.843 0.000 0.000) 4.843 14.048 ( 4.843 0.000 0.000) 4.843 14.487 ( -2.046 0.000 0.000) 2.046 14.487 ( 2.046 0.000 0.000) 2.046 14.624 ( -0.566 0.000 0.000) 0.566 14.624 ( 0.566 0.000 0.000) 0.566 14.996 ( -2.498 0.000 0.000) 2.498 14.996 ( 2.498 0.000 0.000) 2.498 15.457 ( -6.998 0.000 0.000) 6.998 15.457 ( 6.998 0.000 0.000) 6.998 15.739 ( -4.428 0.000 0.000) 4.428 15.739 ( 4.428 0.000 0.000) 4.428 15.899 ( -7.470 0.000 0.000) 7.470 15.899 ( 7.470 0.000 0.000) 7.470 18.392 ( -9.183 0.000 0.000) 9.183 18.392 ( 9.183 0.000 0.000) 9.183 18.447 ( -9.280 0.000 0.000) 9.280 18.447 ( 9.280 0.000 0.000) 9.280 18.558 ( -7.217 0.000 0.000) 7.217 18.558 ( 7.217 0.000 0.000) 7.217 18.890 ( -1.725 0.000 0.000) 1.725 18.890 ( 1.725 0.000 0.000) 1.725 18.948 ( -2.616 0.000 0.000) 2.616 18.948 ( 2.616 0.000 0.000) 2.616 19.206 ( -1.791 0.000 0.000) 1.791 19.206 ( 1.791 0.000 0.000) 1.791 19.291 ( -5.510 0.000 0.000) 5.510 19.291 ( 5.510 0.000 0.000) 5.510 19.447 ( -2.393 0.000 0.000) 2.393 19.447 ( 2.393 0.000 0.000) 2.393 31.829 ( -0.130 0.000 0.000) 0.130 31.829 ( 0.130 0.000 0.000) 0.130 31.868 ( -0.671 0.000 0.000) 0.671 31.868 ( 0.671 0.000 0.000) 0.671 31.937 ( -1.306 0.000 0.000) 1.306 31.937 ( 1.306 0.000 0.000) 1.306 31.986 ( -0.188 0.000 0.000) 0.188 31.986 ( 0.188 0.000 0.000) 0.188 52.245 ( -1.625 0.000 0.000) 1.625 52.245 ( 1.625 0.000 0.000) 1.625 52.370 ( -1.262 0.000 0.000) 1.262 52.370 ( 1.262 0.000 0.000) 1.262 53.220 ( -7.553 0.000 0.000) 7.553 53.220 ( 7.553 0.000 0.000) 7.553 53.260 ( -0.023 0.000 0.000) 0.023 53.260 ( 0.023 0.000 0.000) 0.023 ======================= Grid point 9 (6/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.000 32.152 0.000) 32.152 0.868 ( 0.000 42.371 0.000) 42.371 1.436 ( 0.000 16.613 0.000) 16.613 1.560 ( 0.000 71.015 0.000) 71.015 2.308 ( 0.000 -12.683 0.000) 12.683 2.606 ( 0.000 3.643 0.000) 3.643 2.754 ( 0.000 4.626 0.000) 4.626 2.826 ( 0.000 -12.282 0.000) 12.282 2.858 ( 0.000 11.951 0.000) 11.951 2.960 ( 0.000 -0.484 0.000) 0.484 2.988 ( 0.000 -2.081 0.000) 2.081 3.203 ( 0.000 -22.366 0.000) 22.366 3.327 ( 0.000 4.084 0.000) 4.084 3.383 ( 0.000 4.135 0.000) 4.135 3.393 ( 0.000 -9.864 0.000) 9.864 3.491 ( 0.000 -1.416 0.000) 1.416 3.521 ( 0.000 -1.900 0.000) 1.900 3.558 ( 0.000 3.077 0.000) 3.077 3.656 ( 0.000 -10.685 0.000) 10.685 3.739 ( 0.000 -4.053 0.000) 4.053 3.912 ( 0.000 -6.291 0.000) 6.291 3.920 ( 0.000 3.768 0.000) 3.768 3.935 ( 0.000 -5.347 0.000) 5.347 3.937 ( 0.000 -11.205 0.000) 11.205 4.138 ( 0.000 0.481 0.000) 0.481 4.139 ( 0.000 1.766 0.000) 1.766 4.213 ( 0.000 -2.636 0.000) 2.636 4.414 ( 0.000 -8.550 0.000) 8.550 4.544 ( 0.000 2.531 0.000) 2.531 4.559 ( 0.000 2.012 0.000) 2.012 4.653 ( 0.000 -1.342 0.000) 1.342 4.684 ( 0.000 -5.179 0.000) 5.179 4.784 ( 0.000 -2.297 0.000) 2.297 4.847 ( 0.000 -2.478 0.000) 2.478 4.961 ( 0.000 -0.532 0.000) 0.532 5.037 ( 0.000 -4.885 0.000) 4.885 5.102 ( 0.000 6.578 0.000) 6.578 5.142 ( 0.000 14.760 0.000) 14.760 5.419 ( 0.000 11.434 0.000) 11.434 5.520 ( 0.000 13.427 0.000) 13.427 5.527 ( 0.000 6.608 0.000) 6.608 5.533 ( 0.000 -10.509 0.000) 10.509 5.689 ( 0.000 -11.856 0.000) 11.856 5.835 ( 0.000 -10.957 0.000) 10.957 5.904 ( 0.000 9.377 0.000) 9.377 6.009 ( 0.000 8.924 0.000) 8.924 6.040 ( 0.000 -12.824 0.000) 12.824 6.215 ( 0.000 8.127 0.000) 8.127 6.306 ( 0.000 -5.289 0.000) 5.289 6.315 ( 0.000 11.424 0.000) 11.424 6.327 ( 0.000 -0.096 0.000) 0.096 6.488 ( 0.000 -0.071 0.000) 0.071 6.751 ( 0.000 3.532 0.000) 3.532 6.756 ( 0.000 -8.884 0.000) 8.884 6.879 ( 0.000 -4.762 0.000) 4.762 6.917 ( 0.000 -9.730 0.000) 9.730 6.967 ( 0.000 -2.044 0.000) 2.044 7.312 ( 0.000 11.606 0.000) 11.606 7.326 ( 0.000 -1.430 0.000) 1.430 7.431 ( 0.000 6.880 0.000) 6.880 7.719 ( 0.000 1.808 0.000) 1.808 7.764 ( 0.000 -1.758 0.000) 1.758 7.897 ( 0.000 16.134 0.000) 16.134 8.001 ( 0.000 13.163 0.000) 13.163 8.051 ( 0.000 7.489 0.000) 7.489 8.127 ( 0.000 -8.641 0.000) 8.641 9.000 ( 0.000 -13.566 0.000) 13.566 9.276 ( 0.000 4.230 0.000) 4.230 9.348 ( 0.000 -15.890 0.000) 15.890 9.423 ( 0.000 -10.402 0.000) 10.402 9.652 ( 0.000 5.265 0.000) 5.265 9.821 ( 0.000 9.046 0.000) 9.046 9.824 ( 0.000 3.513 0.000) 3.513 10.187 ( 0.000 -3.391 0.000) 3.391 10.347 ( 0.000 -12.453 0.000) 12.453 10.369 ( 0.000 -13.081 0.000) 13.081 10.436 ( 0.000 -17.984 0.000) 17.984 10.513 ( 0.000 -9.396 0.000) 9.396 10.841 ( 0.000 9.651 0.000) 9.651 10.968 ( 0.000 5.670 0.000) 5.670 11.038 ( 0.000 6.742 0.000) 6.742 11.103 ( 0.000 -0.730 0.000) 0.730 11.719 ( 0.000 22.385 0.000) 22.385 11.868 ( 0.000 1.610 0.000) 1.610 12.026 ( 0.000 -2.282 0.000) 2.282 12.062 ( 0.000 5.623 0.000) 5.623 12.523 ( 0.000 -8.309 0.000) 8.309 12.643 ( 0.000 18.187 0.000) 18.187 12.767 ( 0.000 -1.256 0.000) 1.256 12.798 ( 0.000 -5.841 0.000) 5.841 13.077 ( 0.000 8.536 0.000) 8.536 13.094 ( 0.000 -10.977 0.000) 10.977 13.263 ( 0.000 6.159 0.000) 6.159 13.417 ( 0.000 -0.138 0.000) 0.138 13.507 ( 0.000 -1.164 0.000) 1.164 13.820 ( 0.000 -4.585 0.000) 4.585 13.977 ( 0.000 -4.874 0.000) 4.874 13.999 ( 0.000 -12.566 0.000) 12.566 14.297 ( 0.000 -3.428 0.000) 3.428 14.350 ( 0.000 9.018 0.000) 9.018 14.376 ( 0.000 -1.320 0.000) 1.320 14.628 ( 0.000 13.086 0.000) 13.086 14.645 ( 0.000 3.817 0.000) 3.817 14.887 ( 0.000 -13.138 0.000) 13.138 14.916 ( 0.000 -3.958 0.000) 3.958 15.297 ( 0.000 -5.168 0.000) 5.168 15.377 ( 0.000 -0.439 0.000) 0.439 15.654 ( 0.000 9.465 0.000) 9.465 15.707 ( 0.000 1.560 0.000) 1.560 15.893 ( 0.000 -2.282 0.000) 2.282 15.898 ( 0.000 0.944 0.000) 0.944 16.554 ( 0.000 -5.255 0.000) 5.255 17.710 ( 0.000 0.416 0.000) 0.416 17.730 ( 0.000 -0.047 0.000) 0.047 17.780 ( 0.000 -0.026 0.000) 0.026 17.801 ( 0.000 -0.656 0.000) 0.656 18.633 ( 0.000 0.353 0.000) 0.353 18.685 ( 0.000 -1.139 0.000) 1.139 18.750 ( 0.000 1.616 0.000) 1.616 18.820 ( 0.000 -0.427 0.000) 0.427 18.848 ( 0.000 0.189 0.000) 0.189 18.876 ( 0.000 -0.561 0.000) 0.561 19.154 ( 0.000 0.664 0.000) 0.664 19.217 ( 0.000 0.508 0.000) 0.508 19.244 ( 0.000 3.908 0.000) 3.908 19.358 ( 0.000 6.400 0.000) 6.400 19.615 ( 0.000 -4.539 0.000) 4.539 19.811 ( 0.000 -4.525 0.000) 4.525 31.832 ( 0.000 1.235 0.000) 1.235 31.838 ( 0.000 0.433 0.000) 0.433 31.860 ( 0.000 2.992 0.000) 2.992 31.874 ( 0.000 -0.417 0.000) 0.417 31.925 ( 0.000 1.978 0.000) 1.978 31.965 ( 0.000 -2.560 0.000) 2.560 31.992 ( 0.000 -0.153 0.000) 0.153 32.035 ( 0.000 0.295 0.000) 0.295 52.278 ( 0.000 0.256 0.000) 0.256 52.304 ( 0.000 -0.305 0.000) 0.305 52.508 ( 0.000 9.314 0.000) 9.314 53.066 ( 0.000 2.933 0.000) 2.933 53.262 ( 0.000 -8.258 0.000) 8.258 53.408 ( 0.000 -4.874 0.000) 4.874 53.564 ( 0.000 0.902 0.000) 0.902 53.588 ( 0.000 -0.194 0.000) 0.194 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 25.257 24.907 0.000) 35.471 1.097 ( 21.335 32.166 0.000) 38.598 1.531 ( 9.504 13.663 0.000) 16.644 1.866 ( 31.194 51.121 0.000) 59.887 2.399 ( 11.052 -7.213 0.000) 13.197 2.654 ( -6.590 -2.740 0.000) 7.137 2.735 ( 5.154 -4.908 0.000) 7.117 2.801 ( -2.273 7.934 0.000) 8.253 2.879 ( -0.597 -2.203 0.000) 2.282 2.974 ( 4.967 -5.353 0.000) 7.302 3.033 ( 3.107 2.463 0.000) 3.965 3.212 ( 1.141 -16.330 0.000) 16.369 3.352 ( 2.861 4.165 0.000) 5.053 3.363 ( -2.070 -6.348 0.000) 6.677 3.422 ( 0.851 -0.257 0.000) 0.889 3.453 ( -0.949 6.691 0.000) 6.758 3.556 ( 2.778 0.117 0.000) 2.781 3.556 ( 3.839 -2.137 0.000) 4.394 3.652 ( 0.607 -10.215 0.000) 10.233 3.686 ( -5.923 -1.616 0.000) 6.140 3.778 ( -5.544 0.134 0.000) 5.545 3.905 ( -1.758 -4.447 0.000) 4.782 3.989 ( 7.043 -9.475 0.000) 11.806 4.113 ( 3.488 2.785 0.000) 4.464 4.124 ( 7.908 -1.177 0.000) 7.995 4.207 ( 2.898 -2.417 0.000) 3.774 4.324 ( 7.808 2.020 0.000) 8.065 4.340 ( -6.804 -3.632 0.000) 7.712 4.537 ( -1.526 2.397 0.000) 2.841 4.542 ( -11.792 -8.585 0.000) 14.586 4.578 ( 1.442 -1.298 0.000) 1.940 4.633 ( 2.096 -2.894 0.000) 3.573 4.731 ( -6.044 2.468 0.000) 6.528 4.816 ( -2.497 0.384 0.000) 2.527 5.082 ( 15.098 -9.033 0.000) 17.594 5.083 ( -2.927 7.369 0.000) 7.929 5.185 ( 3.155 8.536 0.000) 9.100 5.201 ( 7.206 -5.278 0.000) 8.932 5.412 ( -0.162 10.796 0.000) 10.797 5.433 ( -5.811 6.712 0.000) 8.877 5.476 ( -0.103 5.685 0.000) 5.686 5.610 ( 3.109 -0.160 0.000) 3.113 5.693 ( 0.284 -10.118 0.000) 10.122 5.844 ( -0.723 -9.760 0.000) 9.787 5.896 ( -0.607 9.958 0.000) 9.977 6.004 ( -0.287 8.185 0.000) 8.190 6.010 ( -4.932 9.332 0.000) 10.555 6.071 ( -2.700 -2.436 0.000) 3.637 6.152 ( -9.064 -5.239 0.000) 10.470 6.157 ( -8.647 6.823 0.000) 11.015 6.439 ( 3.953 1.651 0.000) 4.284 6.595 ( -2.946 -5.511 0.000) 6.249 6.695 ( -6.706 5.271 0.000) 8.530 6.700 ( -1.043 -1.758 0.000) 2.044 6.832 ( -3.716 -10.048 0.000) 10.714 7.036 ( 9.731 -6.054 0.000) 11.461 7.068 ( 12.427 -6.466 0.000) 14.008 7.339 ( 0.976 16.277 0.000) 16.306 7.347 ( -8.904 21.083 0.000) 22.886 7.409 ( 6.271 -5.970 0.000) 8.658 7.576 ( -9.460 0.864 0.000) 9.499 7.647 ( -5.576 24.543 0.000) 25.168 7.782 ( -1.643 0.289 0.000) 1.668 7.890 ( 0.571 6.464 0.000) 6.489 8.163 ( 9.694 2.982 0.000) 10.142 8.262 ( 10.131 -6.768 0.000) 12.184 9.015 ( -22.559 5.524 0.000) 23.226 9.066 ( 4.711 -11.967 0.000) 12.861 9.369 ( -5.454 -10.255 0.000) 11.615 9.427 ( -0.771 -16.458 0.000) 16.476 9.708 ( 2.528 4.749 0.000) 5.380 9.816 ( 0.246 2.680 0.000) 2.691 10.036 ( 5.458 -2.690 0.000) 6.084 10.197 ( 3.148 -3.747 0.000) 4.894 10.228 ( -14.992 -12.337 0.000) 19.415 10.380 ( 0.012 -10.614 0.000) 10.614 10.449 ( -0.657 -11.359 0.000) 11.378 10.488 ( 5.216 -17.822 0.000) 18.570 10.825 ( 0.373 10.305 0.000) 10.311 11.160 ( 7.772 -0.510 0.000) 7.788 11.167 ( 7.613 4.481 0.000) 8.834 11.218 ( 13.623 -0.651 0.000) 13.638 11.717 ( -0.842 16.801 0.000) 16.822 11.733 ( -13.254 0.345 0.000) 13.259 11.839 ( -11.681 1.860 0.000) 11.828 12.193 ( 6.211 1.716 0.000) 6.444 12.403 ( -11.276 -0.582 0.000) 11.291 12.710 ( 4.401 4.067 0.000) 5.993 12.782 ( 3.485 -5.042 0.000) 6.129 12.803 ( 3.795 -2.808 0.000) 4.721 13.086 ( -1.177 -8.024 0.000) 8.110 13.175 ( 4.711 2.082 0.000) 5.150 13.400 ( 13.036 7.195 0.000) 14.890 13.439 ( 2.017 -0.916 0.000) 2.215 13.502 ( -0.431 -0.292 0.000) 0.521 13.791 ( -2.287 -6.932 0.000) 7.299 13.935 ( -4.247 -6.592 0.000) 7.841 14.066 ( 6.134 -9.378 0.000) 11.206 14.262 ( -3.769 -1.488 0.000) 4.052 14.332 ( -1.767 9.181 0.000) 9.350 14.398 ( 1.203 0.923 0.000) 1.517 14.584 ( -6.276 8.290 0.000) 10.398 14.643 ( 1.489 11.802 0.000) 11.895 14.695 ( -9.826 -1.132 0.000) 9.891 14.918 ( 0.220 -3.593 0.000) 3.600 15.278 ( -1.574 -4.612 0.000) 4.873 15.411 ( -1.341 0.904 0.000) 1.617 15.513 ( -4.469 17.042 0.000) 17.619 15.720 ( 1.228 1.040 0.000) 1.610 15.790 ( -6.423 -4.531 0.000) 7.860 15.883 ( -1.084 -2.161 0.000) 2.418 16.465 ( -8.651 -5.624 0.000) 10.318 17.782 ( 7.415 0.249 0.000) 7.419 17.810 ( 7.993 -0.394 0.000) 8.003 17.885 ( 10.931 0.485 0.000) 10.942 18.334 ( 29.895 -27.085 0.000) 40.340 18.636 ( 0.150 0.654 0.000) 0.671 18.676 ( -1.006 -0.244 0.000) 1.035 18.738 ( -1.117 0.961 0.000) 1.473 18.831 ( 0.681 -1.139 0.000) 1.327 18.857 ( 0.930 0.313 0.000) 0.981 18.904 ( 2.997 -0.673 0.000) 3.072 19.138 ( -1.567 1.339 0.000) 2.061 19.223 ( 0.576 0.043 0.000) 0.577 19.246 ( 0.161 3.723 0.000) 3.727 19.345 ( -1.339 5.886 0.000) 6.036 19.591 ( -2.382 -4.143 0.000) 4.779 19.726 ( -6.825 0.136 0.000) 6.827 31.828 ( -0.064 1.185 0.000) 1.187 31.841 ( 0.289 0.413 0.000) 0.504 31.853 ( -0.461 2.153 0.000) 2.202 31.883 ( 0.712 0.294 0.000) 0.770 31.920 ( -0.486 1.624 0.000) 1.695 31.964 ( -0.171 -2.142 0.000) 2.149 31.992 ( 0.002 -0.220 0.000) 0.220 32.032 ( -0.601 0.180 0.000) 0.627 52.289 ( 1.031 0.367 0.000) 1.095 52.306 ( 0.290 0.087 0.000) 0.302 52.502 ( -0.587 8.985 0.000) 9.004 52.867 ( -30.727 28.572 0.000) 41.959 53.063 ( -0.171 2.473 0.000) 2.479 53.292 ( -2.054 -3.527 0.000) 4.081 53.377 ( -3.012 -4.579 0.000) 5.481 53.673 ( -4.794 -5.863 0.000) 7.574 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 25.199 18.919 0.000) 31.511 1.575 ( 26.981 19.929 0.000) 33.543 1.768 ( 14.728 6.553 0.000) 16.120 2.456 ( 18.472 4.980 0.000) 19.132 2.549 ( -3.595 -3.790 0.000) 5.224 2.707 ( -2.527 -8.967 0.000) 9.316 2.756 ( 22.450 7.254 0.000) 23.593 2.825 ( 9.163 17.682 0.000) 19.915 2.853 ( -0.149 -1.053 0.000) 1.064 3.036 ( -3.283 5.225 0.000) 6.170 3.113 ( 7.945 -6.736 0.000) 10.416 3.239 ( -0.037 -9.253 0.000) 9.253 3.314 ( -2.176 -4.836 0.000) 5.303 3.392 ( -3.326 -0.925 0.000) 3.452 3.420 ( 3.885 4.895 0.000) 6.249 3.503 ( 1.289 6.515 0.000) 6.641 3.566 ( -5.872 -5.232 0.000) 7.865 3.604 ( 3.384 -0.342 0.000) 3.401 3.636 ( 2.894 -1.236 0.000) 3.147 3.675 ( 0.565 -7.378 0.000) 7.400 3.776 ( -0.315 -1.057 0.000) 1.103 3.869 ( -2.829 -2.959 0.000) 4.094 4.073 ( -4.613 1.500 0.000) 4.851 4.128 ( 1.489 0.186 0.000) 1.500 4.194 ( 7.415 -6.236 0.000) 9.689 4.254 ( 3.549 1.618 0.000) 3.900 4.279 ( -1.473 -3.843 0.000) 4.116 4.335 ( -2.743 0.750 0.000) 2.844 4.499 ( 0.400 -8.440 0.000) 8.450 4.558 ( 3.802 -2.834 0.000) 4.742 4.586 ( 5.279 3.931 0.000) 6.582 4.663 ( -1.156 -2.243 0.000) 2.524 4.724 ( 5.822 -4.430 0.000) 7.316 4.824 ( 5.798 5.260 0.000) 7.828 4.985 ( -6.293 0.183 0.000) 6.296 5.201 ( -0.185 6.117 0.000) 6.120 5.244 ( 2.865 9.492 0.000) 9.915 5.324 ( 2.145 -9.502 0.000) 9.742 5.350 ( -7.014 2.780 0.000) 7.545 5.427 ( 2.711 -6.271 0.000) 6.832 5.560 ( 7.792 17.417 0.000) 19.080 5.634 ( -0.058 2.608 0.000) 2.609 5.738 ( 6.036 -0.826 0.000) 6.092 5.795 ( -1.827 -4.789 0.000) 5.125 5.889 ( 0.100 8.200 0.000) 8.200 5.982 ( 2.928 17.113 0.000) 17.362 5.985 ( -6.434 -0.827 0.000) 6.487 6.007 ( -1.328 2.478 0.000) 2.811 6.063 ( 0.292 -7.682 0.000) 7.688 6.135 ( 5.580 -2.828 0.000) 6.256 6.379 ( -9.714 -2.534 0.000) 10.039 6.496 ( -5.157 4.363 0.000) 6.755 6.578 ( -4.765 6.971 0.000) 8.445 6.641 ( -3.834 -4.438 0.000) 5.865 6.843 ( 2.593 -2.487 0.000) 3.592 7.132 ( 3.452 -9.763 0.000) 10.356 7.189 ( -6.542 25.279 0.000) 26.112 7.264 ( -9.213 14.834 0.000) 17.462 7.301 ( 7.511 -10.336 0.000) 12.777 7.443 ( -4.187 0.472 0.000) 4.214 7.488 ( 1.264 -4.574 0.000) 4.746 7.745 ( -0.565 -1.887 0.000) 1.970 7.870 ( 21.638 9.990 0.000) 23.832 7.952 ( 6.902 8.179 0.000) 10.702 8.284 ( -5.987 -5.712 0.000) 8.275 8.433 ( 6.993 -11.365 0.000) 13.344 8.580 ( -14.265 9.388 0.000) 17.078 9.166 ( 5.538 -10.927 0.000) 12.250 9.231 ( -8.651 -9.234 0.000) 12.653 9.420 ( 2.324 -11.229 0.000) 11.467 9.711 ( -2.208 4.416 0.000) 4.937 9.814 ( -0.412 3.565 0.000) 3.589 9.915 ( -14.952 -10.777 0.000) 18.431 10.055 ( 0.146 -2.977 0.000) 2.981 10.251 ( 1.976 1.298 0.000) 2.364 10.318 ( -6.063 -5.087 0.000) 7.914 10.451 ( -1.554 -12.621 0.000) 12.716 10.608 ( 6.744 -17.753 0.000) 18.991 10.829 ( -2.317 1.783 0.000) 2.923 11.211 ( -5.070 2.295 0.000) 5.566 11.322 ( 9.061 0.667 0.000) 9.086 11.382 ( 3.785 9.296 0.000) 10.037 11.460 ( -10.650 2.257 0.000) 10.887 11.616 ( -11.135 4.694 0.000) 12.084 11.690 ( -1.021 12.819 0.000) 12.859 12.148 ( -8.863 3.294 0.000) 9.455 12.367 ( 6.883 2.896 0.000) 7.467 12.751 ( -0.128 -5.532 0.000) 5.534 12.851 ( 3.687 -5.949 0.000) 6.999 12.933 ( 8.173 -3.751 0.000) 8.993 13.044 ( -3.017 -4.328 0.000) 5.276 13.257 ( 4.446 -0.031 0.000) 4.446 13.450 ( -1.773 1.009 0.000) 2.040 13.512 ( 1.408 -1.972 0.000) 2.423 13.648 ( 11.592 7.964 0.000) 14.065 13.752 ( -1.521 -9.853 0.000) 9.970 13.832 ( -5.874 -8.528 0.000) 10.355 14.165 ( -5.348 4.162 0.000) 6.777 14.200 ( 7.215 -4.561 0.000) 8.536 14.292 ( -2.083 7.839 0.000) 8.111 14.374 ( -3.402 7.020 0.000) 7.801 14.525 ( -0.944 -2.272 0.000) 2.461 14.586 ( -2.274 1.505 0.000) 2.727 14.677 ( 1.694 8.202 0.000) 8.375 14.929 ( 1.209 -1.840 0.000) 2.202 15.260 ( 0.404 -3.525 0.000) 3.548 15.294 ( -7.163 11.612 0.000) 13.643 15.553 ( 3.781 1.204 0.000) 3.968 15.674 ( -5.322 -3.232 0.000) 6.226 15.747 ( 1.550 0.015 0.000) 1.550 15.852 ( -2.137 -1.796 0.000) 2.791 16.260 ( -12.045 -5.727 0.000) 13.337 17.967 ( 11.415 0.138 0.000) 11.416 18.007 ( 12.043 -0.534 0.000) 12.055 18.133 ( 13.882 0.802 0.000) 13.905 18.617 ( -2.695 0.408 0.000) 2.726 18.657 ( -0.793 2.147 0.000) 2.289 18.700 ( 10.819 -19.597 0.000) 22.385 18.705 ( -2.545 -0.714 0.000) 2.643 18.839 ( 0.185 -1.533 0.000) 1.544 18.885 ( 1.999 0.784 0.000) 2.147 18.982 ( 4.950 -1.883 0.000) 5.296 19.098 ( -2.606 2.455 0.000) 3.580 19.239 ( 1.020 -1.894 0.000) 2.151 19.251 ( 0.411 3.337 0.000) 3.362 19.310 ( -2.196 4.521 0.000) 5.026 19.535 ( -3.149 -3.096 0.000) 4.416 19.603 ( -5.716 1.974 0.000) 6.048 31.831 ( 0.290 0.912 0.000) 0.957 31.845 ( -0.214 1.372 0.000) 1.389 31.849 ( 0.469 0.764 0.000) 0.897 31.898 ( 0.829 0.347 0.000) 0.898 31.908 ( -0.758 1.188 0.000) 1.409 31.959 ( -0.372 -1.508 0.000) 1.554 31.991 ( -0.130 -0.354 0.000) 0.377 32.013 ( -1.241 0.246 0.000) 1.265 52.305 ( 0.372 0.993 0.000) 1.060 52.326 ( 1.985 1.194 0.000) 2.316 52.484 ( -2.850 10.661 0.000) 11.036 52.496 ( -9.310 19.070 0.000) 21.221 53.065 ( 0.561 1.109 0.000) 1.243 53.258 ( -1.811 -4.854 0.000) 5.181 53.307 ( -3.932 -4.018 0.000) 5.622 53.521 ( -9.878 -6.058 0.000) 11.588 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 22.365 5.870 0.000) 23.123 2.001 ( 14.625 3.141 0.000) 14.959 2.123 ( 23.636 8.885 0.000) 25.251 2.545 ( 3.700 -4.745 0.000) 6.017 2.546 ( -1.930 -0.541 0.000) 2.005 2.703 ( 3.146 -3.900 0.000) 5.011 2.799 ( -8.900 8.639 0.000) 12.403 2.895 ( 4.173 0.737 0.000) 4.238 3.020 ( 4.879 -5.527 0.000) 7.372 3.083 ( -15.733 -1.753 0.000) 15.831 3.232 ( 2.090 -5.067 0.000) 5.481 3.269 ( 9.894 10.466 0.000) 14.402 3.294 ( 1.108 -3.616 0.000) 3.782 3.350 ( -5.181 4.686 0.000) 6.985 3.397 ( 4.266 -2.601 0.000) 4.996 3.500 ( 1.710 3.734 0.000) 4.107 3.551 ( 1.174 -4.195 0.000) 4.356 3.624 ( -1.921 -3.164 0.000) 3.702 3.632 ( -5.727 -1.177 0.000) 5.847 3.665 ( -2.246 3.705 0.000) 4.333 3.696 ( -2.808 -0.140 0.000) 2.812 3.779 ( -6.198 -0.559 0.000) 6.223 4.071 ( 5.021 6.040 0.000) 7.854 4.180 ( 8.574 10.762 0.000) 13.760 4.245 ( -1.219 -9.520 0.000) 9.597 4.307 ( -0.388 -4.155 0.000) 4.173 4.369 ( 7.725 -9.293 0.000) 12.084 4.380 ( -0.982 -3.076 0.000) 3.229 4.454 ( 4.351 2.410 0.000) 4.974 4.645 ( 3.959 0.827 0.000) 4.044 4.721 ( 5.724 -1.906 0.000) 6.033 4.734 ( 7.560 -4.501 0.000) 8.798 4.784 ( -1.151 -7.824 0.000) 7.908 4.913 ( 1.129 -3.282 0.000) 3.471 5.023 ( 11.673 8.504 0.000) 14.442 5.165 ( -10.522 -1.813 0.000) 10.677 5.222 ( -0.269 -2.124 0.000) 2.141 5.293 ( 1.217 12.052 0.000) 12.114 5.336 ( 4.504 2.716 0.000) 5.260 5.405 ( -0.566 -2.989 0.000) 3.042 5.570 ( -6.476 9.711 0.000) 11.672 5.739 ( 7.858 24.132 0.000) 25.380 5.752 ( 1.928 -6.012 0.000) 6.314 5.848 ( -7.457 -1.120 0.000) 7.541 5.906 ( 3.534 5.211 0.000) 6.296 5.913 ( 0.953 3.795 0.000) 3.913 5.996 ( 0.987 -4.517 0.000) 4.623 6.053 ( 0.334 -3.807 0.000) 3.821 6.134 ( 6.459 7.567 0.000) 9.949 6.198 ( -7.233 2.169 0.000) 7.551 6.242 ( 4.744 8.185 0.000) 9.460 6.452 ( -8.941 -0.102 0.000) 8.941 6.462 ( 0.835 7.091 0.000) 7.140 6.648 ( 9.642 -13.710 0.000) 16.761 6.777 ( -10.549 2.345 0.000) 10.806 7.107 ( -1.245 21.826 0.000) 21.861 7.132 ( -4.359 14.329 0.000) 14.977 7.226 ( 7.012 -6.966 0.000) 9.884 7.357 ( -4.619 -3.520 0.000) 5.807 7.396 ( 3.077 -12.281 0.000) 12.661 7.456 ( -4.571 -3.472 0.000) 5.740 7.778 ( -1.262 -2.511 0.000) 2.810 7.856 ( -21.529 1.153 0.000) 21.560 7.982 ( 0.084 13.445 0.000) 13.445 8.376 ( 21.730 -3.449 0.000) 22.002 8.538 ( 6.689 -14.493 0.000) 15.962 8.568 ( 1.754 -3.302 0.000) 3.739 9.051 ( -10.346 -8.341 0.000) 13.290 9.293 ( 8.520 -8.871 0.000) 12.300 9.521 ( 7.133 -9.290 0.000) 11.712 9.605 ( -7.852 -4.517 0.000) 9.058 9.742 ( -4.109 -0.391 0.000) 4.128 9.815 ( 1.111 4.921 0.000) 5.044 10.091 ( 4.244 -1.095 0.000) 4.383 10.141 ( -12.629 -3.449 0.000) 13.091 10.297 ( 3.593 4.495 0.000) 5.754 10.374 ( -6.433 -6.296 0.000) 9.001 10.661 ( -14.138 -0.497 0.000) 14.147 10.734 ( 6.521 -17.741 0.000) 18.901 11.021 ( -10.274 -9.533 0.000) 14.015 11.389 ( -1.574 13.824 0.000) 13.913 11.410 ( -0.132 9.275 0.000) 9.276 11.456 ( -3.073 5.984 0.000) 6.726 11.470 ( 5.029 0.649 0.000) 5.071 11.717 ( 4.346 11.701 0.000) 12.482 11.994 ( -7.755 6.810 0.000) 10.321 12.509 ( 7.397 1.123 0.000) 7.482 12.717 ( -3.123 -5.023 0.000) 5.915 12.910 ( 2.251 -6.530 0.000) 6.907 12.985 ( -2.852 -4.208 0.000) 5.084 13.094 ( 8.656 -1.833 0.000) 8.847 13.347 ( 4.986 -3.481 0.000) 6.081 13.382 ( -5.268 3.582 0.000) 6.371 13.509 ( -2.201 -6.689 0.000) 7.041 13.723 ( -0.624 -5.295 0.000) 5.331 13.745 ( -2.783 -7.415 0.000) 7.920 13.844 ( 8.346 3.861 0.000) 9.196 14.077 ( -4.289 4.423 0.000) 6.161 14.252 ( -1.205 10.856 0.000) 10.922 14.297 ( -4.110 7.383 0.000) 8.450 14.330 ( 5.426 -6.283 0.000) 8.302 14.474 ( -3.085 -2.594 0.000) 4.031 14.613 ( 2.891 -0.675 0.000) 2.969 14.692 ( -0.397 3.295 0.000) 3.318 14.971 ( 3.204 1.991 0.000) 3.772 15.164 ( -6.545 9.466 0.000) 11.508 15.313 ( 5.180 -2.565 0.000) 5.781 15.548 ( -4.767 -3.109 0.000) 5.691 15.658 ( 3.669 1.019 0.000) 3.808 15.781 ( 1.860 -1.353 0.000) 2.300 15.804 ( -2.374 -1.111 0.000) 2.621 16.034 ( -11.042 -4.895 0.000) 12.079 18.191 ( 11.590 0.045 0.000) 11.590 18.243 ( 12.192 -0.260 0.000) 12.195 18.379 ( 11.477 0.750 0.000) 11.501 18.535 ( -5.912 0.303 0.000) 5.919 18.605 ( -5.688 1.538 0.000) 5.892 18.650 ( -3.124 -0.323 0.000) 3.140 18.818 ( 2.885 -9.563 0.000) 9.988 18.841 ( 0.116 -2.074 0.000) 2.077 18.930 ( 2.659 1.694 0.000) 3.153 19.043 ( -3.073 2.894 0.000) 4.221 19.083 ( 5.394 -3.498 0.000) 6.429 19.243 ( -1.813 -5.718 0.000) 5.998 19.261 ( 0.664 2.965 0.000) 3.038 19.275 ( -0.545 4.388 0.000) 4.421 19.485 ( -1.906 -1.560 0.000) 2.463 19.513 ( -3.629 1.955 0.000) 4.122 31.837 ( 0.241 0.920 0.000) 0.951 31.842 ( -0.113 1.326 0.000) 1.330 31.861 ( 0.718 0.549 0.000) 0.904 31.892 ( -0.864 0.862 0.000) 1.220 31.914 ( 0.929 0.128 0.000) 0.937 31.949 ( -0.672 -0.877 0.000) 1.105 31.987 ( -0.224 -0.423 0.000) 0.479 31.992 ( -0.800 0.030 0.000) 0.801 52.310 ( 0.336 3.205 0.000) 3.222 52.365 ( -3.760 12.514 0.000) 13.067 52.371 ( 2.622 2.461 0.000) 3.596 52.459 ( -1.746 6.389 0.000) 6.624 53.094 ( 2.772 -1.086 0.000) 2.977 53.226 ( -1.404 -4.657 0.000) 4.864 53.243 ( -2.534 -3.771 0.000) 4.544 53.332 ( -9.358 -5.485 0.000) 10.847 ======================= Grid point 13 (10/45) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -2.450 -4.319 0.000) 4.966 2.179 ( 2.450 -4.319 0.000) 4.966 2.494 ( -12.108 9.201 0.000) 15.207 2.494 ( 12.108 9.201 0.000) 15.207 2.696 ( -9.310 -9.863 0.000) 13.563 2.696 ( 9.310 -9.863 0.000) 13.563 2.741 ( -14.478 5.972 0.000) 15.661 2.741 ( 14.478 5.972 0.000) 15.661 2.957 ( -2.513 3.027 0.000) 3.934 2.957 ( 2.513 3.027 0.000) 3.934 3.289 ( -6.148 1.267 0.000) 6.277 3.289 ( 6.148 1.267 0.000) 6.277 3.331 ( -0.245 -8.189 0.000) 8.193 3.331 ( 0.245 -8.189 0.000) 8.193 3.481 ( -4.012 -1.289 0.000) 4.214 3.481 ( 4.012 -1.289 0.000) 4.214 3.558 ( -4.605 8.289 0.000) 9.482 3.558 ( 4.605 8.289 0.000) 9.482 3.628 ( -3.497 2.331 0.000) 4.203 3.628 ( 3.497 2.331 0.000) 4.203 3.679 ( -0.987 -1.777 0.000) 2.032 3.679 ( 0.987 -1.777 0.000) 2.032 4.188 ( -5.344 3.396 0.000) 6.332 4.188 ( 5.344 3.396 0.000) 6.332 4.259 ( -3.397 -12.953 0.000) 13.391 4.259 ( 3.397 -12.953 0.000) 13.391 4.425 ( -2.502 -0.094 0.000) 2.504 4.425 ( 2.502 -0.094 0.000) 2.504 4.630 ( -7.293 2.343 0.000) 7.660 4.630 ( 7.293 2.343 0.000) 7.660 4.760 ( -0.287 -0.367 0.000) 0.466 4.760 ( 0.287 -0.367 0.000) 0.466 4.898 ( -7.888 -3.461 0.000) 8.614 4.898 ( 7.888 -3.461 0.000) 8.614 5.070 ( -3.570 -4.780 0.000) 5.966 5.070 ( 3.570 -4.780 0.000) 5.966 5.253 ( -4.878 7.616 0.000) 9.044 5.253 ( 4.878 7.616 0.000) 9.044 5.421 ( -6.620 8.372 0.000) 10.673 5.421 ( 6.620 8.372 0.000) 10.673 5.616 ( -14.787 3.715 0.000) 15.246 5.616 ( 14.787 3.715 0.000) 15.246 5.837 ( -5.133 -5.157 0.000) 7.276 5.837 ( 5.133 -5.157 0.000) 7.276 5.889 ( -3.806 16.965 0.000) 17.387 5.889 ( 3.806 16.965 0.000) 17.387 6.061 ( -0.224 -2.455 0.000) 2.465 6.061 ( 0.224 -2.455 0.000) 2.465 6.163 ( -4.319 4.951 0.000) 6.570 6.163 ( 4.319 4.951 0.000) 6.570 6.281 ( -5.916 3.506 0.000) 6.877 6.281 ( 5.916 3.506 0.000) 6.877 6.568 ( -9.540 -0.249 0.000) 9.544 6.568 ( 9.540 -0.249 0.000) 9.544 6.969 ( -15.884 -2.134 0.000) 16.027 6.969 ( 15.884 -2.134 0.000) 16.027 7.186 ( -11.387 13.072 0.000) 17.336 7.186 ( 11.387 13.072 0.000) 17.336 7.364 ( -4.950 -7.842 0.000) 9.274 7.364 ( 4.950 -7.842 0.000) 9.274 7.467 ( -8.395 -3.751 0.000) 9.195 7.467 ( 8.395 -3.751 0.000) 9.195 7.919 ( -6.222 7.835 0.000) 10.005 7.919 ( 6.222 7.835 0.000) 10.005 8.546 ( -3.387 -14.703 0.000) 15.089 8.546 ( 3.387 -14.703 0.000) 15.089 8.818 ( -15.208 -5.776 0.000) 16.268 8.818 ( 15.208 -5.776 0.000) 16.268 9.464 ( -7.938 -6.453 0.000) 10.230 9.464 ( 7.938 -6.453 0.000) 10.230 9.658 ( -6.284 -4.641 0.000) 7.812 9.658 ( 6.284 -4.641 0.000) 7.812 9.899 ( -9.476 3.017 0.000) 9.945 9.899 ( 9.476 3.017 0.000) 9.945 10.221 ( -8.755 -2.489 0.000) 9.102 10.221 ( 8.755 -2.489 0.000) 9.102 10.416 ( -9.669 4.552 0.000) 10.686 10.416 ( 9.669 4.552 0.000) 10.686 10.860 ( -7.096 -16.414 0.000) 17.882 10.860 ( 7.096 -16.414 0.000) 17.882 11.370 ( -0.525 12.157 0.000) 12.169 11.370 ( 0.525 12.157 0.000) 12.169 11.494 ( -1.953 3.603 0.000) 4.098 11.494 ( 1.953 3.603 0.000) 4.098 11.843 ( -7.976 9.256 0.000) 12.219 11.843 ( 7.976 9.256 0.000) 12.219 12.635 ( -5.576 -1.450 0.000) 5.761 12.635 ( 5.576 -1.450 0.000) 5.761 12.943 ( -1.655 -5.856 0.000) 6.085 12.943 ( 1.655 -5.856 0.000) 6.085 13.254 ( -7.948 1.429 0.000) 8.076 13.254 ( 7.948 1.429 0.000) 8.076 13.440 ( -4.560 -7.053 0.000) 8.399 13.440 ( 4.560 -7.053 0.000) 8.399 13.719 ( -0.343 -6.017 0.000) 6.027 13.719 ( 0.343 -6.017 0.000) 6.027 13.981 ( -6.116 4.743 0.000) 7.740 13.981 ( 6.116 4.743 0.000) 7.740 14.246 ( -0.955 8.680 0.000) 8.732 14.246 ( 0.955 8.680 0.000) 8.732 14.414 ( -3.544 -3.966 0.000) 5.319 14.414 ( 3.544 -3.966 0.000) 5.319 14.664 ( -2.289 0.166 0.000) 2.295 14.664 ( 2.289 0.166 0.000) 2.295 15.051 ( -5.180 6.068 0.000) 7.978 15.051 ( 5.180 6.068 0.000) 7.978 15.435 ( -6.818 -2.137 0.000) 7.145 15.435 ( 6.818 -2.137 0.000) 7.145 15.734 ( -3.854 -0.390 0.000) 3.874 15.734 ( 3.854 -0.390 0.000) 3.874 15.866 ( -6.372 -3.064 0.000) 7.070 15.866 ( 6.372 -3.064 0.000) 7.070 18.391 ( -9.213 0.127 0.000) 9.214 18.391 ( 9.213 0.127 0.000) 9.214 18.454 ( -9.803 0.116 0.000) 9.803 18.454 ( 9.803 0.116 0.000) 9.803 18.556 ( -7.081 0.632 0.000) 7.109 18.556 ( 7.081 0.632 0.000) 7.109 18.842 ( -0.186 -4.088 0.000) 4.092 18.842 ( 0.186 -4.088 0.000) 4.092 18.984 ( -3.035 2.546 0.000) 3.962 18.984 ( 3.035 2.546 0.000) 3.962 19.178 ( -4.445 -4.580 0.000) 6.382 19.178 ( 4.445 -4.580 0.000) 6.382 19.273 ( -0.352 2.389 0.000) 2.415 19.273 ( 0.352 2.389 0.000) 2.415 19.471 ( -0.674 0.550 0.000) 0.870 19.471 ( 0.674 0.550 0.000) 0.870 31.840 ( -0.107 1.092 0.000) 1.097 31.840 ( 0.107 1.092 0.000) 1.097 31.876 ( -0.832 0.651 0.000) 1.057 31.876 ( 0.832 0.651 0.000) 1.057 31.933 ( -0.979 -0.257 0.000) 1.012 31.933 ( 0.979 -0.257 0.000) 1.012 31.985 ( -0.018 -0.316 0.000) 0.316 31.985 ( 0.018 -0.316 0.000) 0.316 52.323 ( -1.154 6.824 0.000) 6.921 52.323 ( 1.154 6.824 0.000) 6.921 52.420 ( -2.382 4.379 0.000) 4.985 52.420 ( 2.382 4.379 0.000) 4.985 53.177 ( -5.873 -3.760 0.000) 6.974 53.177 ( 5.873 -3.760 0.000) 6.974 53.217 ( -0.100 -3.951 0.000) 3.952 53.217 ( 0.100 -3.951 0.000) 3.952 ======================= Grid point 18 (11/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.000 29.268 0.000) 29.268 1.725 ( 0.000 41.260 0.000) 41.260 1.848 ( 0.000 -23.409 0.000) 23.409 1.890 ( 0.000 26.246 0.000) 26.246 2.438 ( 0.000 -24.716 0.000) 24.716 2.541 ( 0.000 -37.084 0.000) 37.084 2.706 ( 0.000 6.030 0.000) 6.030 2.807 ( 0.000 10.243 0.000) 10.243 2.884 ( 0.000 5.189 0.000) 5.189 2.950 ( 0.000 -1.147 0.000) 1.147 2.979 ( 0.000 28.521 0.000) 28.521 3.153 ( 0.000 13.695 0.000) 13.695 3.263 ( 0.000 -1.003 0.000) 1.003 3.374 ( 0.000 -9.266 0.000) 9.266 3.392 ( 0.000 0.919 0.000) 0.919 3.456 ( 0.000 -2.516 0.000) 2.516 3.473 ( 0.000 -0.708 0.000) 0.708 3.492 ( 0.000 -1.375 0.000) 1.375 3.629 ( 0.000 2.640 0.000) 2.640 3.737 ( 0.000 -5.474 0.000) 5.474 3.803 ( 0.000 3.389 0.000) 3.389 3.807 ( 0.000 -0.908 0.000) 0.908 3.837 ( 0.000 -2.522 0.000) 2.522 3.955 ( 0.000 -2.258 0.000) 2.258 4.134 ( 0.000 -2.578 0.000) 2.578 4.148 ( 0.000 -0.536 0.000) 0.536 4.187 ( 0.000 3.051 0.000) 3.051 4.272 ( 0.000 -5.372 0.000) 5.372 4.543 ( 0.000 -2.613 0.000) 2.613 4.568 ( 0.000 0.927 0.000) 0.927 4.604 ( 0.000 -2.604 0.000) 2.604 4.644 ( 0.000 -10.472 0.000) 10.472 4.657 ( 0.000 4.641 0.000) 4.641 4.807 ( 0.000 -6.887 0.000) 6.887 4.914 ( 0.000 -0.393 0.000) 0.393 4.973 ( 0.000 -3.396 0.000) 3.396 5.225 ( 0.000 5.391 0.000) 5.391 5.319 ( 0.000 -2.507 0.000) 2.507 5.412 ( 0.000 -6.208 0.000) 6.208 5.447 ( 0.000 5.856 0.000) 5.856 5.469 ( 0.000 -14.802 0.000) 14.802 5.539 ( 0.000 -0.454 0.000) 0.454 5.717 ( 0.000 5.451 0.000) 5.451 5.837 ( 0.000 -6.882 0.000) 6.882 5.878 ( 0.000 18.374 0.000) 18.374 6.095 ( 0.000 7.490 0.000) 7.490 6.203 ( 0.000 -10.340 0.000) 10.340 6.223 ( 0.000 -3.594 0.000) 3.594 6.277 ( 0.000 15.799 0.000) 15.799 6.403 ( 0.000 9.037 0.000) 9.037 6.491 ( 0.000 5.486 0.000) 5.486 6.492 ( 0.000 -0.166 0.000) 0.166 6.609 ( 0.000 -6.558 0.000) 6.558 6.618 ( 0.000 -15.896 0.000) 15.896 6.831 ( 0.000 0.727 0.000) 0.727 6.894 ( 0.000 -4.343 0.000) 4.343 6.899 ( 0.000 8.980 0.000) 8.980 7.130 ( 0.000 -11.821 0.000) 11.821 7.606 ( 0.000 8.144 0.000) 8.144 7.650 ( 0.000 12.278 0.000) 12.278 7.714 ( 0.000 -3.560 0.000) 3.560 7.887 ( 0.000 15.073 0.000) 15.073 7.903 ( 0.000 -12.358 0.000) 12.358 8.122 ( 0.000 -3.788 0.000) 3.788 8.203 ( 0.000 19.397 0.000) 19.397 8.448 ( 0.000 24.340 0.000) 24.340 8.643 ( 0.000 -20.937 0.000) 20.937 8.938 ( 0.000 -23.143 0.000) 23.143 9.262 ( 0.000 -2.149 0.000) 2.149 9.312 ( 0.000 -2.527 0.000) 2.527 9.822 ( 0.000 11.170 0.000) 11.170 9.932 ( 0.000 7.048 0.000) 7.048 9.979 ( 0.000 6.489 0.000) 6.489 10.077 ( 0.000 -12.328 0.000) 12.328 10.097 ( 0.000 -5.162 0.000) 5.162 10.123 ( 0.000 -12.082 0.000) 12.082 10.170 ( 0.000 -3.350 0.000) 3.350 10.287 ( 0.000 -11.125 0.000) 11.125 11.031 ( 0.000 7.611 0.000) 7.611 11.048 ( 0.000 2.524 0.000) 2.524 11.084 ( 0.000 -1.201 0.000) 1.201 11.113 ( 0.000 0.005 0.000) 0.005 11.911 ( 0.000 2.413 0.000) 2.413 11.968 ( 0.000 -3.073 0.000) 3.073 12.198 ( 0.000 7.333 0.000) 7.333 12.247 ( 0.000 27.120 0.000) 27.120 12.355 ( 0.000 -7.991 0.000) 7.991 12.710 ( 0.000 -2.004 0.000) 2.004 12.718 ( 0.000 -2.268 0.000) 2.268 12.756 ( 0.000 -21.514 0.000) 21.514 13.111 ( 0.000 26.060 0.000) 26.060 13.268 ( 0.000 8.597 0.000) 8.597 13.355 ( 0.000 1.193 0.000) 1.193 13.437 ( 0.000 1.715 0.000) 1.715 13.476 ( 0.000 -1.845 0.000) 1.845 13.647 ( 0.000 -24.507 0.000) 24.507 13.739 ( 0.000 -2.409 0.000) 2.409 13.781 ( 0.000 -7.390 0.000) 7.390 14.297 ( 0.000 2.333 0.000) 2.333 14.343 ( 0.000 -1.934 0.000) 1.934 14.556 ( 0.000 10.396 0.000) 10.396 14.724 ( 0.000 3.016 0.000) 3.016 14.744 ( 0.000 -6.544 0.000) 6.544 14.760 ( 0.000 -1.647 0.000) 1.647 14.934 ( 0.000 10.331 0.000) 10.331 15.147 ( 0.000 -9.265 0.000) 9.265 15.400 ( 0.000 3.777 0.000) 3.777 15.550 ( 0.000 -10.029 0.000) 10.029 15.757 ( 0.000 3.261 0.000) 3.261 15.830 ( 0.000 -3.636 0.000) 3.636 16.138 ( 0.000 14.588 0.000) 14.588 16.395 ( 0.000 -10.288 0.000) 10.288 17.720 ( 0.000 0.466 0.000) 0.466 17.727 ( 0.000 -0.228 0.000) 0.228 17.780 ( 0.000 0.141 0.000) 0.141 17.787 ( 0.000 -0.541 0.000) 0.541 18.645 ( 0.000 0.795 0.000) 0.795 18.663 ( 0.000 -1.009 0.000) 1.009 18.783 ( 0.000 1.504 0.000) 1.504 18.808 ( 0.000 -0.873 0.000) 0.873 18.852 ( 0.000 0.270 0.000) 0.270 18.862 ( 0.000 -0.689 0.000) 0.689 19.183 ( 0.000 1.885 0.000) 1.885 19.215 ( 0.000 -0.948 0.000) 0.948 19.354 ( 0.000 6.501 0.000) 6.501 19.494 ( 0.000 -6.855 0.000) 6.855 19.515 ( 0.000 8.441 0.000) 8.441 19.684 ( 0.000 -7.607 0.000) 7.607 31.849 ( 0.000 0.653 0.000) 0.653 31.863 ( 0.000 -0.639 0.000) 0.639 31.865 ( 0.000 1.994 0.000) 1.994 31.912 ( 0.000 -2.522 0.000) 2.522 31.928 ( 0.000 3.210 0.000) 3.210 31.976 ( 0.000 2.689 0.000) 2.689 31.977 ( 0.000 -1.484 0.000) 1.484 32.022 ( 0.000 -1.577 0.000) 1.577 52.286 ( 0.000 0.445 0.000) 0.445 52.295 ( 0.000 -0.475 0.000) 0.475 52.755 ( 0.000 13.946 0.000) 13.946 53.039 ( 0.000 -13.039 0.000) 13.039 53.153 ( 0.000 5.554 0.000) 5.554 53.283 ( 0.000 -6.739 0.000) 6.739 53.577 ( 0.000 0.425 0.000) 0.425 53.584 ( 0.000 -0.259 0.000) 0.259 ======================= Grid point 19 (12/45) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 20.792 25.186 0.000) 32.660 1.813 ( 8.637 35.357 0.000) 36.396 1.921 ( 3.048 23.137 0.000) 23.337 2.022 ( 15.947 -20.420 0.000) 25.909 2.411 ( -1.688 -20.080 0.000) 20.151 2.570 ( 3.194 -31.164 0.000) 31.327 2.672 ( -6.674 4.058 0.000) 7.810 2.720 ( -2.939 1.900 0.000) 3.499 2.925 ( 4.045 3.180 0.000) 5.146 2.987 ( 3.872 -2.392 0.000) 4.551 3.088 ( 11.573 25.561 0.000) 28.059 3.204 ( 4.569 12.275 0.000) 13.098 3.258 ( -0.328 -1.690 0.000) 1.721 3.339 ( -2.386 -8.524 0.000) 8.852 3.425 ( 3.568 1.919 0.000) 4.051 3.497 ( 3.666 -2.154 0.000) 4.252 3.505 ( 2.494 -0.994 0.000) 2.685 3.522 ( 2.551 -2.018 0.000) 3.253 3.655 ( 4.365 7.599 0.000) 8.763 3.704 ( -6.473 7.236 0.000) 9.709 3.775 ( -1.319 -2.259 0.000) 2.616 3.843 ( 3.211 0.671 0.000) 3.280 3.891 ( 4.523 -2.925 0.000) 5.387 3.934 ( -3.005 -12.140 0.000) 12.507 4.195 ( 0.027 1.037 0.000) 1.037 4.214 ( 5.662 4.623 0.000) 7.310 4.249 ( -2.161 -4.088 0.000) 4.624 4.306 ( 11.493 -1.652 0.000) 11.611 4.429 ( -7.184 -1.660 0.000) 7.374 4.543 ( -1.773 -5.797 0.000) 6.062 4.570 ( -0.831 0.736 0.000) 1.110 4.587 ( 0.974 -1.407 0.000) 1.711 4.765 ( -1.459 0.184 0.000) 1.471 4.791 ( 5.466 -3.024 0.000) 6.247 5.001 ( 10.579 1.934 0.000) 10.754 5.099 ( 8.053 -4.997 0.000) 9.478 5.212 ( -3.846 5.765 0.000) 6.930 5.298 ( -0.991 -0.274 0.000) 1.028 5.361 ( -4.352 -5.932 0.000) 7.357 5.462 ( 0.310 -17.284 0.000) 17.287 5.485 ( 3.949 1.854 0.000) 4.362 5.524 ( -0.935 0.904 0.000) 1.300 5.718 ( 0.373 5.204 0.000) 5.218 5.852 ( 1.237 -7.780 0.000) 7.877 5.853 ( -1.816 12.835 0.000) 12.963 6.036 ( -8.209 -5.977 0.000) 10.155 6.134 ( 1.847 11.650 0.000) 11.796 6.223 ( -2.490 12.659 0.000) 12.902 6.292 ( -11.259 6.546 0.000) 13.024 6.374 ( 2.123 -6.651 0.000) 6.982 6.376 ( -2.179 11.176 0.000) 11.387 6.445 ( -6.802 -1.569 0.000) 6.980 6.564 ( -1.148 -15.313 0.000) 15.356 6.674 ( 5.477 -8.217 0.000) 9.875 6.890 ( -0.185 13.766 0.000) 13.768 6.924 ( 2.677 0.256 0.000) 2.689 6.984 ( 9.763 -3.548 0.000) 10.388 7.193 ( 4.949 -13.936 0.000) 14.788 7.586 ( -3.664 4.615 0.000) 5.893 7.646 ( -6.297 0.838 0.000) 6.352 7.691 ( 3.898 14.096 0.000) 14.625 7.889 ( -0.163 14.709 0.000) 14.710 7.921 ( 3.362 -6.669 0.000) 7.469 8.147 ( -12.016 16.867 0.000) 20.709 8.154 ( 2.653 -6.707 0.000) 7.212 8.242 ( -3.626 8.525 0.000) 9.264 8.810 ( 9.443 -8.425 0.000) 12.656 9.000 ( 5.350 -21.767 0.000) 22.415 9.134 ( -14.694 5.241 0.000) 15.601 9.223 ( -7.106 -3.577 0.000) 7.955 9.782 ( -2.218 3.288 0.000) 3.967 9.897 ( -0.141 5.307 0.000) 5.309 9.956 ( -12.692 -13.338 0.000) 18.412 10.011 ( -2.613 -3.722 0.000) 4.548 10.124 ( 7.817 0.319 0.000) 7.823 10.169 ( 1.257 -2.340 0.000) 2.656 10.224 ( 5.495 -8.395 0.000) 10.033 10.265 ( -2.351 -8.251 0.000) 8.580 11.050 ( 0.881 10.100 0.000) 10.138 11.160 ( 8.807 0.649 0.000) 8.831 11.182 ( 10.933 -1.517 0.000) 11.038 11.190 ( 4.760 -2.882 0.000) 5.564 11.759 ( -13.202 2.321 0.000) 13.404 11.821 ( -11.200 -3.026 0.000) 11.602 12.210 ( -3.650 26.562 0.000) 26.811 12.273 ( 4.169 5.523 0.000) 6.920 12.372 ( -0.178 -3.183 0.000) 3.188 12.688 ( -5.869 -17.504 0.000) 18.462 12.698 ( 0.943 -1.561 0.000) 1.824 12.729 ( 2.056 -3.662 0.000) 4.200 13.136 ( 1.175 19.720 0.000) 19.755 13.289 ( 2.067 7.890 0.000) 8.157 13.442 ( 6.019 -4.879 0.000) 7.748 13.447 ( 0.706 1.125 0.000) 1.328 13.480 ( 0.424 -1.695 0.000) 1.747 13.610 ( -3.288 -22.106 0.000) 22.349 13.739 ( 2.851 3.780 0.000) 4.734 13.878 ( 7.710 -8.438 0.000) 11.429 14.298 ( -0.118 3.695 0.000) 3.697 14.369 ( 2.397 -2.914 0.000) 3.773 14.546 ( -1.069 10.640 0.000) 10.694 14.676 ( -7.278 1.591 0.000) 7.450 14.685 ( -4.465 0.914 0.000) 4.558 14.734 ( -1.096 -6.338 0.000) 6.432 14.944 ( 1.227 9.390 0.000) 9.469 15.141 ( -0.349 -8.593 0.000) 8.600 15.419 ( 1.536 2.749 0.000) 3.148 15.540 ( -0.950 -8.144 0.000) 8.199 15.759 ( 0.172 2.756 0.000) 2.762 15.824 ( -0.653 -3.339 0.000) 3.402 16.002 ( -11.145 17.027 0.000) 20.351 16.292 ( -9.489 -11.282 0.000) 14.742 17.789 ( 7.267 0.453 0.000) 7.281 17.800 ( 7.452 -0.548 0.000) 7.472 17.916 ( 12.830 2.799 0.000) 13.132 18.018 ( 18.945 -8.083 0.000) 20.597 18.652 ( 0.480 0.874 0.000) 0.997 18.668 ( 0.318 -0.588 0.000) 0.668 18.765 ( -1.663 1.643 0.000) 2.337 18.801 ( -0.549 -1.742 0.000) 1.826 18.867 ( 1.487 0.751 0.000) 1.666 18.886 ( 2.219 -1.031 0.000) 2.447 19.176 ( -0.705 2.168 0.000) 2.280 19.213 ( -0.237 -1.184 0.000) 1.208 19.349 ( -0.423 6.101 0.000) 6.115 19.480 ( -1.385 -6.335 0.000) 6.484 19.492 ( -2.282 7.902 0.000) 8.225 19.645 ( -3.656 -6.521 0.000) 7.476 31.852 ( 0.227 0.610 0.000) 0.651 31.863 ( 0.059 -0.476 0.000) 0.479 31.864 ( -0.061 2.120 0.000) 2.121 31.911 ( -0.127 -2.354 0.000) 2.358 31.928 ( -0.015 3.009 0.000) 3.009 31.970 ( -0.544 2.464 0.000) 2.524 31.976 ( -0.129 -1.532 0.000) 1.537 32.016 ( -0.678 -1.683 0.000) 1.815 52.298 ( 1.261 0.476 0.000) 1.348 52.305 ( 1.110 -0.200 0.000) 1.128 52.739 ( -1.680 13.215 0.000) 13.321 52.992 ( -5.668 -9.577 0.000) 11.128 53.140 ( -1.293 5.021 0.000) 5.185 53.260 ( -2.285 -6.307 0.000) 6.708 53.373 ( -13.483 9.406 0.000) 16.440 53.540 ( -7.687 -7.056 0.000) 10.435 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 17.356 21.526 0.000) 27.651 1.979 ( 5.614 13.081 0.000) 14.235 2.030 ( 10.493 18.137 0.000) 20.954 2.335 ( 13.772 -16.703 0.000) 21.649 2.428 ( 4.528 -4.490 0.000) 6.376 2.578 ( -1.943 1.814 0.000) 2.658 2.670 ( 7.290 -17.798 0.000) 19.233 2.693 ( 2.788 -7.150 0.000) 7.675 3.023 ( 5.810 0.203 0.000) 5.814 3.095 ( 7.448 -4.723 0.000) 8.819 3.200 ( -6.122 11.330 0.000) 12.879 3.239 ( -2.225 -1.020 0.000) 2.447 3.306 ( -1.621 -6.502 0.000) 6.701 3.361 ( 4.060 6.001 0.000) 7.246 3.503 ( 4.480 5.068 0.000) 6.764 3.541 ( 1.592 -2.329 0.000) 2.821 3.560 ( 2.729 2.227 0.000) 3.523 3.566 ( 1.304 -3.790 0.000) 4.008 3.616 ( 0.118 7.362 0.000) 7.363 3.668 ( -2.923 7.851 0.000) 8.378 3.755 ( 2.364 2.904 0.000) 3.745 3.883 ( 0.315 4.047 0.000) 4.059 3.984 ( 4.357 -5.373 0.000) 6.917 4.035 ( 14.142 -10.665 0.000) 17.713 4.170 ( -1.074 0.279 0.000) 1.110 4.198 ( -0.983 0.044 0.000) 0.984 4.211 ( -1.597 -3.233 0.000) 3.606 4.318 ( -7.356 -9.023 0.000) 11.642 4.452 ( 4.373 5.311 0.000) 6.880 4.556 ( 2.114 -4.749 0.000) 5.198 4.583 ( 3.143 3.602 0.000) 4.780 4.650 ( 4.563 -3.141 0.000) 5.539 4.797 ( 0.697 13.304 0.000) 13.322 4.952 ( 11.450 4.237 0.000) 12.209 5.074 ( -8.834 8.073 0.000) 11.967 5.159 ( -0.354 -4.217 0.000) 4.232 5.245 ( -6.188 -6.164 0.000) 8.734 5.251 ( 11.929 0.576 0.000) 11.943 5.305 ( -0.328 -3.243 0.000) 3.260 5.513 ( 1.970 8.170 0.000) 8.404 5.589 ( 14.434 -20.169 0.000) 24.802 5.616 ( 7.962 -1.985 0.000) 8.206 5.754 ( 5.154 3.657 0.000) 6.319 5.823 ( -1.557 6.393 0.000) 6.580 5.869 ( 0.262 -7.639 0.000) 7.644 5.907 ( -5.374 -3.198 0.000) 6.254 6.078 ( -6.167 6.035 0.000) 8.629 6.121 ( -4.588 6.589 0.000) 8.029 6.244 ( -1.333 2.761 0.000) 3.066 6.285 ( -2.201 9.651 0.000) 9.899 6.302 ( -4.867 -8.157 0.000) 9.499 6.429 ( 4.575 17.652 0.000) 18.235 6.630 ( 3.012 -10.669 0.000) 11.087 6.744 ( 1.159 -4.990 0.000) 5.123 6.908 ( 1.448 15.509 0.000) 15.576 6.955 ( 1.741 1.277 0.000) 2.159 7.115 ( 3.578 -8.692 0.000) 9.400 7.251 ( -1.489 -14.554 0.000) 14.630 7.426 ( -10.744 3.433 0.000) 11.279 7.511 ( -7.609 -2.924 0.000) 8.152 7.696 ( -5.935 22.300 0.000) 23.077 7.876 ( -1.350 15.292 0.000) 15.352 8.035 ( 3.910 -5.665 0.000) 6.883 8.085 ( 11.713 8.412 0.000) 14.421 8.143 ( -6.810 -9.331 0.000) 11.552 8.198 ( -0.584 -6.113 0.000) 6.141 8.808 ( -15.943 12.465 0.000) 20.238 8.992 ( 9.904 -3.160 0.000) 10.396 9.040 ( -11.797 -9.685 0.000) 15.263 9.125 ( 8.004 -14.490 0.000) 16.554 9.717 ( -10.433 -3.460 0.000) 10.992 9.755 ( -1.361 -3.761 0.000) 4.000 9.908 ( 0.848 5.303 0.000) 5.370 10.002 ( 1.681 -3.157 0.000) 3.577 10.178 ( -1.379 -6.755 0.000) 6.895 10.201 ( -3.361 -5.517 0.000) 6.460 10.240 ( 4.720 -0.188 0.000) 4.723 10.322 ( 5.025 -9.055 0.000) 10.356 10.987 ( -8.983 9.705 0.000) 13.225 11.158 ( -10.669 -6.274 0.000) 12.377 11.346 ( 10.005 2.188 0.000) 10.241 11.407 ( 10.465 -3.169 0.000) 10.934 11.545 ( -5.757 5.181 0.000) 7.745 11.638 ( -6.966 -2.752 0.000) 7.490 12.128 ( -4.320 25.209 0.000) 25.577 12.273 ( -3.131 8.097 0.000) 8.681 12.399 ( 3.309 -2.039 0.000) 3.887 12.575 ( -5.400 -16.235 0.000) 17.109 12.754 ( 4.211 -1.242 0.000) 4.390 12.820 ( 6.975 -5.956 0.000) 9.172 13.122 ( -2.662 13.414 0.000) 13.676 13.334 ( 2.537 6.836 0.000) 7.291 13.425 ( -4.571 -9.043 0.000) 10.133 13.481 ( -0.137 1.210 0.000) 1.218 13.512 ( 1.749 -10.156 0.000) 10.306 13.570 ( -0.049 -11.011 0.000) 11.011 13.859 ( 8.392 9.153 0.000) 12.418 14.037 ( 8.340 -8.460 0.000) 11.880 14.281 ( -1.957 6.854 0.000) 7.128 14.415 ( 1.524 -5.454 0.000) 5.663 14.518 ( -1.809 10.884 0.000) 11.033 14.522 ( -7.242 4.494 0.000) 8.523 14.592 ( -4.576 -1.623 0.000) 4.855 14.703 ( -2.189 -6.151 0.000) 6.528 14.988 ( 3.563 7.761 0.000) 8.540 15.151 ( 1.892 -7.078 0.000) 7.327 15.434 ( -0.808 3.328 0.000) 3.425 15.519 ( -1.308 -4.979 0.000) 5.148 15.761 ( 0.057 1.532 0.000) 1.533 15.805 ( -1.321 -2.525 0.000) 2.850 15.808 ( -7.953 14.661 0.000) 16.679 16.086 ( -11.313 -11.362 0.000) 16.034 17.973 ( 11.403 0.504 0.000) 11.414 17.989 ( 11.814 -1.021 0.000) 11.858 18.191 ( 14.702 5.321 0.000) 15.635 18.365 ( 15.907 -12.243 0.000) 20.073 18.636 ( -2.552 1.354 0.000) 2.889 18.667 ( -1.347 -1.348 0.000) 1.906 18.728 ( -1.730 3.109 0.000) 3.558 18.794 ( -0.245 -2.896 0.000) 2.907 18.905 ( 2.606 1.318 0.000) 2.920 18.940 ( 3.366 -2.010 0.000) 3.920 19.153 ( -1.856 2.739 0.000) 3.309 19.201 ( -1.201 -1.932 0.000) 2.275 19.341 ( -0.285 5.200 0.000) 5.208 19.438 ( -3.093 6.849 0.000) 7.515 19.450 ( -1.579 -5.057 0.000) 5.297 19.564 ( -4.422 -4.833 0.000) 6.551 31.858 ( 0.383 0.522 0.000) 0.648 31.864 ( 0.102 2.080 0.000) 2.082 31.865 ( 0.167 -0.070 0.000) 0.182 31.906 ( -0.364 -1.739 0.000) 1.777 31.928 ( 0.071 2.437 0.000) 2.438 31.958 ( -0.655 1.786 0.000) 1.903 31.973 ( -0.237 -1.586 0.000) 1.604 31.998 ( -1.142 -1.614 0.000) 1.977 52.330 ( 2.134 1.207 0.000) 2.451 52.342 ( 2.837 0.172 0.000) 2.843 52.691 ( -3.466 10.723 0.000) 11.269 52.813 ( -11.710 4.080 0.000) 12.400 53.111 ( -1.619 3.532 0.000) 3.885 53.190 ( -5.413 2.499 0.000) 5.962 53.205 ( -3.169 -5.352 0.000) 6.220 53.356 ( -10.244 -9.649 0.000) 14.073 ======================= Grid point 21 (14/45) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 6.240 6.657 0.000) 9.125 2.165 ( 7.101 12.552 0.000) 14.422 2.238 ( 10.690 -4.676 0.000) 11.668 2.461 ( 0.830 -15.227 0.000) 15.250 2.571 ( 9.106 12.184 0.000) 15.211 2.647 ( 8.966 9.094 0.000) 12.771 2.830 ( 8.622 -8.675 0.000) 12.231 2.856 ( 11.351 -8.931 0.000) 14.443 3.001 ( -11.226 8.739 0.000) 14.226 3.122 ( -1.505 2.227 0.000) 2.688 3.148 ( -2.493 1.850 0.000) 3.104 3.187 ( -13.189 -8.793 0.000) 15.851 3.237 ( 1.930 -2.652 0.000) 3.280 3.290 ( 5.953 -7.921 0.000) 9.909 3.564 ( 1.103 -1.482 0.000) 1.847 3.565 ( -2.379 3.389 0.000) 4.141 3.591 ( 1.602 3.271 0.000) 3.642 3.597 ( 2.675 -4.317 0.000) 5.079 3.598 ( -4.526 2.334 0.000) 5.092 3.643 ( -1.343 -0.051 0.000) 1.344 3.758 ( -2.226 14.709 0.000) 14.876 3.855 ( -3.303 5.397 0.000) 6.328 3.996 ( -2.572 -8.559 0.000) 8.937 4.094 ( -9.025 -14.948 0.000) 17.461 4.200 ( 2.493 0.886 0.000) 2.646 4.238 ( 6.185 -3.423 0.000) 7.069 4.291 ( 3.705 2.094 0.000) 4.256 4.360 ( 8.386 -2.493 0.000) 8.749 4.580 ( 11.436 5.655 0.000) 12.758 4.669 ( 8.918 -3.670 0.000) 9.644 4.670 ( 4.994 3.101 0.000) 5.878 4.723 ( 2.426 -1.781 0.000) 3.010 4.760 ( -0.781 11.959 0.000) 11.985 4.926 ( -5.983 6.161 0.000) 8.588 5.053 ( -5.436 -12.556 0.000) 13.682 5.095 ( -8.037 -6.842 0.000) 10.555 5.201 ( 11.899 7.524 0.000) 14.079 5.320 ( 7.657 -3.098 0.000) 8.260 5.544 ( 13.108 13.351 0.000) 18.710 5.563 ( 1.629 12.994 0.000) 13.095 5.728 ( -0.277 4.072 0.000) 4.081 5.759 ( 2.830 5.912 0.000) 6.555 5.812 ( -1.007 -7.676 0.000) 7.742 5.825 ( -1.001 -2.723 0.000) 2.901 5.868 ( 0.512 -9.546 0.000) 9.560 5.936 ( -7.048 6.448 0.000) 9.553 6.002 ( 15.591 -0.970 0.000) 15.621 6.128 ( -6.073 -9.006 0.000) 10.862 6.211 ( 10.111 -11.450 0.000) 15.276 6.213 ( -0.020 -3.493 0.000) 3.493 6.363 ( 4.840 26.551 0.000) 26.988 6.563 ( 8.290 13.441 0.000) 15.792 6.610 ( -5.212 7.395 0.000) 9.047 6.702 ( -3.900 8.637 0.000) 9.477 6.814 ( -13.253 2.876 0.000) 13.561 7.052 ( 8.470 -6.101 0.000) 10.439 7.083 ( -14.093 -19.527 0.000) 24.081 7.164 ( 3.573 -10.998 0.000) 11.564 7.280 ( -2.984 4.858 0.000) 5.702 7.427 ( -2.761 -6.481 0.000) 7.045 7.570 ( -5.050 22.154 0.000) 22.722 7.824 ( -8.345 6.311 0.000) 10.462 7.883 ( -12.417 0.474 0.000) 12.426 7.996 ( -5.888 -18.176 0.000) 19.106 8.290 ( 8.145 6.090 0.000) 10.171 8.397 ( 16.309 -3.388 0.000) 16.657 8.586 ( -8.886 7.212 0.000) 11.445 8.824 ( -9.780 -13.182 0.000) 16.414 9.193 ( 11.631 -0.042 0.000) 11.631 9.304 ( 10.611 -9.998 0.000) 14.580 9.565 ( -6.655 3.070 0.000) 7.329 9.696 ( -5.884 -6.240 0.000) 8.577 9.933 ( 2.005 6.862 0.000) 7.149 10.057 ( 3.722 -3.667 0.000) 5.225 10.086 ( -5.923 -0.044 0.000) 5.924 10.175 ( -1.457 -8.655 0.000) 8.776 10.334 ( 5.895 0.904 0.000) 5.964 10.426 ( 6.422 -10.077 0.000) 11.950 10.738 ( -14.989 5.775 0.000) 16.063 10.862 ( -16.869 -6.467 0.000) 18.066 11.501 ( 5.464 2.419 0.000) 5.975 11.525 ( 1.429 3.536 0.000) 3.814 11.540 ( 3.300 0.167 0.000) 3.305 11.557 ( -1.966 1.499 0.000) 2.472 12.077 ( -0.244 22.395 0.000) 22.396 12.205 ( -4.044 13.209 0.000) 13.814 12.455 ( 2.112 -8.676 0.000) 8.929 12.498 ( -2.442 -16.762 0.000) 16.939 12.844 ( 5.166 2.366 0.000) 5.682 12.970 ( 8.490 -7.985 0.000) 11.655 13.047 ( -4.885 9.736 0.000) 10.893 13.296 ( -8.049 -12.318 0.000) 14.715 13.385 ( 2.786 5.592 0.000) 6.248 13.471 ( -1.142 3.808 0.000) 3.975 13.537 ( 1.330 -9.010 0.000) 9.108 13.577 ( 0.029 -6.931 0.000) 6.931 14.011 ( 7.165 8.629 0.000) 11.216 14.175 ( 5.904 -7.442 0.000) 9.500 14.221 ( -4.184 8.187 0.000) 9.194 14.362 ( -5.467 -4.075 0.000) 6.819 14.463 ( -0.557 3.933 0.000) 3.972 14.483 ( -1.639 9.974 0.000) 10.107 14.555 ( 0.997 -4.246 0.000) 4.361 14.654 ( -2.868 -6.165 0.000) 6.799 15.082 ( 6.201 7.599 0.000) 9.808 15.227 ( 6.125 -5.911 0.000) 8.512 15.363 ( -6.488 7.932 0.000) 10.247 15.476 ( -3.811 -4.001 0.000) 5.526 15.725 ( -1.040 6.374 0.000) 6.458 15.762 ( -0.002 -0.177 0.000) 0.177 15.776 ( -1.476 -1.335 0.000) 1.990 15.893 ( -8.225 -8.549 0.000) 11.863 18.198 ( 11.756 0.769 0.000) 11.782 18.222 ( 12.145 -1.430 0.000) 12.229 18.442 ( 11.279 5.612 0.000) 12.598 18.553 ( -6.173 1.453 0.000) 6.342 18.590 ( -6.376 -1.930 0.000) 6.662 18.604 ( 9.349 -9.993 0.000) 13.684 18.698 ( -2.460 4.009 0.000) 4.704 18.782 ( -1.324 -3.763 0.000) 3.989 18.965 ( 3.576 1.825 0.000) 4.015 19.011 ( 4.119 -2.946 0.000) 5.064 19.105 ( -3.174 2.959 0.000) 4.339 19.162 ( -2.991 -2.864 0.000) 4.141 19.342 ( 0.373 4.523 0.000) 4.538 19.386 ( -2.196 5.810 0.000) 6.211 19.430 ( -0.284 -3.742 0.000) 3.753 19.489 ( -3.273 -3.720 0.000) 4.955 31.864 ( 0.235 0.724 0.000) 0.761 31.867 ( 0.085 1.763 0.000) 1.765 31.872 ( 0.517 0.103 0.000) 0.527 31.897 ( -0.627 -0.853 0.000) 1.058 31.931 ( 0.253 1.668 0.000) 1.687 31.947 ( -0.516 1.048 0.000) 1.168 31.968 ( -0.195 -1.528 0.000) 1.540 31.977 ( -0.877 -1.396 0.000) 1.648 52.383 ( 3.544 3.167 0.000) 4.752 52.412 ( 4.402 0.667 0.000) 4.452 52.607 ( -6.891 7.168 0.000) 9.944 52.611 ( -7.268 7.303 0.000) 10.303 53.088 ( -0.472 1.170 0.000) 1.261 53.130 ( -1.676 -2.617 0.000) 3.108 53.151 ( -2.341 -4.514 0.000) 5.085 53.190 ( -6.627 -7.158 0.000) 9.755 ======================= Grid point 22 (15/45) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -3.409 6.137 0.000) 7.020 2.192 ( 3.409 6.137 0.000) 7.020 2.413 ( -6.478 -14.242 0.000) 15.646 2.413 ( 6.478 -14.242 0.000) 15.646 2.736 ( -6.842 13.814 0.000) 15.416 2.736 ( 6.842 13.814 0.000) 15.416 2.913 ( -7.731 6.591 0.000) 10.160 2.913 ( 7.731 6.591 0.000) 10.160 2.974 ( -2.888 -2.255 0.000) 3.664 2.974 ( 2.888 -2.255 0.000) 3.664 3.093 ( -6.590 -11.353 0.000) 13.127 3.093 ( 6.590 -11.353 0.000) 13.127 3.375 ( -13.095 4.893 0.000) 13.979 3.375 ( 13.095 4.893 0.000) 13.979 3.459 ( -8.170 -1.885 0.000) 8.384 3.459 ( 8.170 -1.885 0.000) 8.385 3.599 ( -1.642 0.778 0.000) 1.817 3.599 ( 1.642 0.778 0.000) 1.817 3.641 ( -1.303 -2.298 0.000) 2.642 3.641 ( 1.303 -2.298 0.000) 2.642 3.775 ( -3.818 7.801 0.000) 8.686 3.775 ( 3.818 7.801 0.000) 8.686 3.973 ( -2.083 -12.599 0.000) 12.770 3.973 ( 2.083 -12.599 0.000) 12.770 4.268 ( -3.906 3.933 0.000) 5.543 4.268 ( 3.906 3.933 0.000) 5.543 4.361 ( -5.104 -5.315 0.000) 7.369 4.361 ( 5.104 -5.315 0.000) 7.369 4.716 ( -0.631 4.664 0.000) 4.707 4.716 ( 0.631 4.664 0.000) 4.707 4.746 ( -0.989 1.154 0.000) 1.520 4.746 ( 0.989 1.154 0.000) 1.520 4.845 ( -4.097 0.569 0.000) 4.136 4.845 ( 4.097 0.569 0.000) 4.136 4.986 ( -1.762 -6.813 0.000) 7.037 4.986 ( 1.762 -6.813 0.000) 7.037 5.474 ( -12.218 9.247 0.000) 15.323 5.474 ( 12.218 9.247 0.000) 15.323 5.582 ( -16.571 2.380 0.000) 16.741 5.582 ( 16.571 2.380 0.000) 16.741 5.714 ( -4.235 2.147 0.000) 4.748 5.714 ( 4.235 2.147 0.000) 4.748 5.775 ( -1.634 12.595 0.000) 12.701 5.775 ( 1.634 12.595 0.000) 12.701 5.919 ( -3.436 -9.135 0.000) 9.760 5.919 ( 3.436 -9.135 0.000) 9.760 6.083 ( -4.262 -10.561 0.000) 11.389 6.083 ( 4.262 -10.561 0.000) 11.389 6.310 ( -13.138 19.242 0.000) 23.299 6.310 ( 13.138 19.242 0.000) 23.299 6.513 ( -10.021 5.932 0.000) 11.645 6.513 ( 10.021 5.932 0.000) 11.645 6.574 ( -1.450 4.429 0.000) 4.660 6.574 ( 1.450 4.429 0.000) 4.660 6.813 ( -12.458 -10.918 0.000) 16.565 6.813 ( 12.458 -10.918 0.000) 16.565 7.209 ( -6.852 -2.337 0.000) 7.240 7.209 ( 6.852 -2.337 0.000) 7.240 7.313 ( -9.746 -7.504 0.000) 12.300 7.313 ( 9.746 -7.504 0.000) 12.300 7.565 ( -7.009 16.076 0.000) 17.538 7.565 ( 7.009 16.076 0.000) 17.538 7.883 ( -4.794 -13.401 0.000) 14.232 7.883 ( 4.794 -13.401 0.000) 14.232 8.434 ( -7.340 7.562 0.000) 10.539 8.434 ( 7.341 7.562 0.000) 10.539 8.649 ( -10.179 -10.404 0.000) 14.555 8.649 ( 10.179 -10.404 0.000) 14.555 9.414 ( -10.180 1.778 0.000) 10.334 9.414 ( 10.180 1.778 0.000) 10.334 9.520 ( -11.657 -7.441 0.000) 13.829 9.520 ( 11.657 -7.441 0.000) 13.829 9.989 ( -3.954 5.902 0.000) 7.104 9.989 ( 3.954 5.902 0.000) 7.104 10.129 ( -3.404 -6.684 0.000) 7.501 10.129 ( 3.404 -6.684 0.000) 7.501 10.486 ( -10.625 2.973 0.000) 11.033 10.486 ( 10.625 2.973 0.000) 11.033 10.588 ( -11.311 -8.614 0.000) 14.218 10.588 ( 11.311 -8.614 0.000) 14.218 11.544 ( -0.138 3.108 0.000) 3.111 11.544 ( 0.138 3.108 0.000) 3.111 11.556 ( -0.719 2.308 0.000) 2.418 11.556 ( 0.719 2.308 0.000) 2.418 12.122 ( -4.202 17.707 0.000) 18.199 12.122 ( 4.202 17.707 0.000) 18.199 12.476 ( -0.476 -14.513 0.000) 14.521 12.476 ( 0.476 -14.513 0.000) 14.521 12.947 ( -5.496 6.509 0.000) 8.519 12.947 ( 5.496 6.509 0.000) 8.519 13.135 ( -8.719 -10.262 0.000) 13.466 13.135 ( 8.719 -10.262 0.000) 13.466 13.436 ( -2.461 4.717 0.000) 5.321 13.436 ( 2.461 4.717 0.000) 5.321 13.564 ( -1.279 -7.493 0.000) 7.601 13.564 ( 1.279 -7.493 0.000) 7.601 14.129 ( -5.403 7.857 0.000) 9.536 14.129 ( 5.403 7.857 0.000) 9.536 14.268 ( -4.465 -5.272 0.000) 6.909 14.268 ( 4.465 -5.272 0.000) 6.909 14.461 ( -0.548 7.064 0.000) 7.085 14.461 ( 0.548 7.064 0.000) 7.085 14.598 ( -2.873 -5.744 0.000) 6.423 14.598 ( 2.873 -5.744 0.000) 6.423 15.218 ( -7.926 8.785 0.000) 11.832 15.218 ( 7.926 8.785 0.000) 11.832 15.364 ( -7.470 -5.139 0.000) 9.067 15.364 ( 7.470 -5.139 0.000) 9.067 15.738 ( -1.645 1.209 0.000) 2.041 15.738 ( 1.645 1.209 0.000) 2.041 15.790 ( -2.751 -3.698 0.000) 4.609 15.790 ( 2.751 -3.698 0.000) 4.609 18.403 ( -9.537 1.111 0.000) 9.601 18.403 ( 9.537 1.111 0.000) 9.601 18.434 ( -9.877 -1.696 0.000) 10.021 18.434 ( 9.877 -1.696 0.000) 10.021 18.613 ( -6.684 4.726 0.000) 8.186 18.613 ( 6.684 4.726 0.000) 8.186 18.731 ( -4.350 -6.295 0.000) 7.652 18.731 ( 4.350 -6.295 0.000) 7.652 19.037 ( -3.831 2.512 0.000) 4.581 19.037 ( 3.831 2.512 0.000) 4.581 19.092 ( -4.176 -3.228 0.000) 5.278 19.092 ( 4.176 -3.228 0.000) 5.278 19.356 ( -1.099 4.770 0.000) 4.895 19.356 ( 1.099 4.770 0.000) 4.895 19.443 ( -1.614 -3.227 0.000) 3.608 19.443 ( 1.614 -3.227 0.000) 3.608 31.867 ( -0.072 1.278 0.000) 1.280 31.867 ( 0.072 1.278 0.000) 1.280 31.884 ( -0.708 -0.211 0.000) 0.738 31.884 ( 0.708 -0.211 0.000) 0.738 31.938 ( -0.438 1.034 0.000) 1.123 31.938 ( 0.438 1.034 0.000) 1.123 31.967 ( -0.179 -1.389 0.000) 1.401 31.967 ( 0.179 -1.389 0.000) 1.401 52.470 ( -5.755 5.908 0.000) 8.248 52.470 ( 5.755 5.908 0.000) 8.248 52.506 ( -5.426 2.504 0.000) 5.976 52.506 ( 5.426 2.504 0.000) 5.976 53.102 ( -2.003 -2.286 0.000) 3.039 53.102 ( 2.003 -2.286 0.000) 3.039 53.124 ( -0.177 -4.072 0.000) 4.076 53.124 ( 0.177 -4.072 0.000) 4.076 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 0.000 36.763) 36.763 0.818 ( 0.000 0.000 42.729) 42.729 1.319 ( 0.000 0.000 66.241) 66.241 1.382 ( 0.000 0.000 12.285) 12.285 2.425 ( 0.000 0.000 -16.046) 16.046 2.490 ( 0.000 0.000 3.145) 3.145 2.523 ( 0.000 0.000 -19.212) 19.212 2.698 ( 0.000 0.000 1.535) 1.535 2.785 ( 0.000 0.000 -16.847) 16.847 2.946 ( 0.000 0.000 -9.319) 9.319 2.971 ( 0.000 0.000 -1.975) 1.975 3.309 ( 0.000 0.000 1.869) 1.869 3.362 ( 0.000 0.000 -3.972) 3.972 3.362 ( 0.000 0.000 -8.884) 8.884 3.523 ( 0.000 0.000 -3.965) 3.965 3.545 ( 0.000 0.000 1.320) 1.320 3.566 ( 0.000 0.000 -0.680) 0.680 3.606 ( 0.000 0.000 -4.919) 4.919 3.654 ( 0.000 0.000 7.019) 7.019 3.679 ( 0.000 0.000 -13.054) 13.054 3.729 ( 0.000 0.000 -4.709) 4.709 3.841 ( 0.000 0.000 0.530) 0.530 3.896 ( 0.000 0.000 -3.670) 3.670 3.919 ( 0.000 0.000 -4.686) 4.686 4.185 ( 0.000 0.000 9.684) 9.684 4.190 ( 0.000 0.000 7.017) 7.017 4.382 ( 0.000 0.000 6.362) 6.362 4.611 ( 0.000 0.000 4.974) 4.974 4.624 ( 0.000 0.000 7.122) 7.122 4.698 ( 0.000 0.000 11.672) 11.672 4.735 ( 0.000 0.000 -5.406) 5.406 4.789 ( 0.000 0.000 4.814) 4.814 4.839 ( 0.000 0.000 1.417) 1.417 4.909 ( 0.000 0.000 -2.535) 2.535 5.062 ( 0.000 0.000 5.164) 5.164 5.089 ( 0.000 0.000 15.113) 15.113 5.154 ( 0.000 0.000 -10.358) 10.358 5.259 ( 0.000 0.000 7.551) 7.551 5.366 ( 0.000 0.000 -0.264) 0.264 5.398 ( 0.000 0.000 10.737) 10.737 5.570 ( 0.000 0.000 -3.074) 3.074 5.636 ( 0.000 0.000 -7.142) 7.142 5.817 ( 0.000 0.000 1.361) 1.361 5.885 ( 0.000 0.000 5.626) 5.626 5.886 ( 0.000 0.000 -4.816) 4.816 5.933 ( 0.000 0.000 -2.068) 2.068 6.066 ( 0.000 0.000 -10.758) 10.758 6.109 ( 0.000 0.000 -4.416) 4.416 6.269 ( 0.000 0.000 -0.755) 0.755 6.350 ( 0.000 0.000 -5.658) 5.658 6.434 ( 0.000 0.000 -10.503) 10.503 6.522 ( 0.000 0.000 3.508) 3.508 6.523 ( 0.000 0.000 -26.808) 26.808 6.657 ( 0.000 0.000 -2.634) 2.634 6.947 ( 0.000 0.000 3.331) 3.331 6.980 ( 0.000 0.000 1.518) 1.518 7.046 ( 0.000 0.000 1.009) 1.009 7.053 ( 0.000 0.000 -4.361) 4.361 7.080 ( 0.000 0.000 6.003) 6.003 7.312 ( 0.000 0.000 3.363) 3.363 7.611 ( 0.000 0.000 -2.593) 2.593 7.775 ( 0.000 0.000 -12.951) 12.951 7.805 ( 0.000 0.000 19.820) 19.820 7.975 ( 0.000 0.000 17.392) 17.392 8.114 ( 0.000 0.000 15.791) 15.791 8.419 ( 0.000 0.000 15.849) 15.849 9.180 ( 0.000 0.000 -0.833) 0.833 9.291 ( 0.000 0.000 7.483) 7.483 9.383 ( 0.000 0.000 -11.677) 11.677 9.412 ( 0.000 0.000 -10.038) 10.038 9.630 ( 0.000 0.000 2.960) 2.960 9.739 ( 0.000 0.000 1.816) 1.816 9.845 ( 0.000 0.000 6.126) 6.126 10.075 ( 0.000 0.000 -12.404) 12.404 10.368 ( 0.000 0.000 -23.120) 23.120 10.531 ( 0.000 0.000 5.538) 5.538 10.681 ( 0.000 0.000 -1.099) 1.099 10.756 ( 0.000 0.000 -2.242) 2.242 10.773 ( 0.000 0.000 -18.063) 18.063 10.844 ( 0.000 0.000 -3.299) 3.299 10.916 ( 0.000 0.000 9.429) 9.429 11.203 ( 0.000 0.000 14.990) 14.990 11.417 ( 0.000 0.000 -4.068) 4.068 11.936 ( 0.000 0.000 6.641) 6.641 11.995 ( 0.000 0.000 -2.213) 2.213 12.101 ( 0.000 0.000 5.320) 5.320 12.605 ( 0.000 0.000 -5.749) 5.749 12.612 ( 0.000 0.000 14.807) 14.807 12.748 ( 0.000 0.000 1.766) 1.766 12.883 ( 0.000 0.000 -7.349) 7.349 12.914 ( 0.000 0.000 -27.913) 27.913 12.944 ( 0.000 0.000 5.763) 5.763 13.219 ( 0.000 0.000 -2.552) 2.552 13.637 ( 0.000 0.000 5.971) 5.971 13.723 ( 0.000 0.000 -10.177) 10.177 13.798 ( 0.000 0.000 12.753) 12.753 13.991 ( 0.000 0.000 0.234) 0.234 14.174 ( 0.000 0.000 6.677) 6.677 14.178 ( 0.000 0.000 -5.661) 5.661 14.360 ( 0.000 0.000 1.285) 1.285 14.424 ( 0.000 0.000 0.859) 0.859 14.499 ( 0.000 0.000 8.255) 8.255 14.644 ( 0.000 0.000 3.219) 3.219 14.732 ( 0.000 0.000 9.546) 9.546 15.031 ( 0.000 0.000 -16.300) 16.300 15.371 ( 0.000 0.000 2.138) 2.138 15.420 ( 0.000 0.000 3.018) 3.018 15.568 ( 0.000 0.000 -11.356) 11.356 15.617 ( 0.000 0.000 11.874) 11.874 15.933 ( 0.000 0.000 2.287) 2.287 15.953 ( 0.000 0.000 0.643) 0.643 16.507 ( 0.000 0.000 -9.980) 9.980 17.712 ( 0.000 0.000 0.705) 0.705 17.735 ( 0.000 0.000 0.510) 0.510 17.765 ( 0.000 0.000 -0.572) 0.572 17.776 ( 0.000 0.000 -0.457) 0.457 18.659 ( 0.000 0.000 2.677) 2.677 18.723 ( 0.000 0.000 -0.194) 0.194 18.734 ( 0.000 0.000 -0.366) 0.366 18.809 ( 0.000 0.000 -1.658) 1.658 18.876 ( 0.000 0.000 3.269) 3.269 19.079 ( 0.000 0.000 2.177) 2.177 19.123 ( 0.000 0.000 -2.762) 2.762 19.200 ( 0.000 0.000 -0.933) 0.933 19.217 ( 0.000 0.000 1.083) 1.083 19.277 ( 0.000 0.000 -0.657) 0.657 19.691 ( 0.000 0.000 2.791) 2.791 19.958 ( 0.000 0.000 -3.559) 3.559 31.790 ( 0.000 0.000 -1.198) 1.198 31.817 ( 0.000 0.000 -1.438) 1.438 31.864 ( 0.000 0.000 2.156) 2.156 31.886 ( 0.000 0.000 0.779) 0.779 31.912 ( 0.000 0.000 0.576) 0.576 31.966 ( 0.000 0.000 -1.678) 1.678 32.026 ( 0.000 0.000 0.916) 0.916 32.031 ( 0.000 0.000 1.313) 1.313 52.207 ( 0.000 0.000 1.659) 1.659 52.364 ( 0.000 0.000 5.901) 5.901 52.381 ( 0.000 0.000 -2.682) 2.682 52.946 ( 0.000 0.000 -8.769) 8.769 53.280 ( 0.000 0.000 2.586) 2.586 53.380 ( 0.000 0.000 2.701) 2.701 53.446 ( 0.000 0.000 -1.575) 1.575 53.546 ( 0.000 0.000 -0.737) 0.737 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 22.638 0.000 24.577) 33.414 1.012 ( 19.242 0.000 33.450) 38.589 1.484 ( 10.486 0.000 9.510) 14.156 1.790 ( 40.509 0.000 47.822) 62.673 2.433 ( 3.617 0.000 -13.307) 13.790 2.471 ( -3.891 0.000 -20.074) 20.447 2.566 ( 2.290 0.000 -0.439) 2.332 2.749 ( -3.109 0.000 -13.335) 13.692 2.819 ( 11.086 0.000 0.397) 11.093 2.999 ( 5.777 0.000 -6.253) 8.513 3.047 ( 7.040 0.000 -0.733) 7.078 3.335 ( 0.144 0.000 0.795) 0.808 3.340 ( -2.106 0.000 -6.252) 6.597 3.340 ( 0.545 0.000 -0.157) 0.567 3.457 ( -6.572 0.000 2.219) 6.937 3.509 ( -2.419 0.000 2.229) 3.290 3.566 ( -0.472 0.000 1.942) 1.998 3.572 ( 2.942 0.000 -1.951) 3.530 3.629 ( 2.740 0.000 0.802) 2.855 3.692 ( 2.384 0.000 -8.885) 9.199 3.796 ( 0.354 0.000 1.924) 1.956 3.913 ( -4.964 0.000 -7.691) 9.153 3.991 ( 6.536 0.000 -6.546) 9.250 4.009 ( 16.630 0.000 -4.253) 17.165 4.115 ( -1.613 0.000 6.492) 6.689 4.249 ( 6.265 0.000 7.283) 9.606 4.410 ( -17.144 0.000 5.416) 17.979 4.431 ( 2.925 0.000 3.007) 4.195 4.607 ( -4.457 0.000 7.021) 8.317 4.683 ( -5.696 0.000 -4.717) 7.396 4.684 ( 0.793 0.000 12.478) 12.503 4.692 ( -5.941 0.000 -2.786) 6.562 4.856 ( 0.903 0.000 12.008) 12.042 4.940 ( 3.175 0.000 -1.973) 3.738 5.068 ( -5.904 0.000 -6.987) 9.148 5.092 ( -0.561 0.000 -0.050) 0.563 5.106 ( -0.035 0.000 0.338) 0.340 5.303 ( -1.560 0.000 16.380) 16.454 5.389 ( 1.132 0.000 -2.344) 2.603 5.436 ( 3.740 0.000 8.467) 9.257 5.553 ( -1.069 0.000 9.089) 9.152 5.648 ( 0.970 0.000 -5.082) 5.174 5.741 ( -9.735 0.000 11.061) 14.735 5.794 ( -6.257 0.000 -1.473) 6.428 5.804 ( -2.046 0.000 -0.155) 2.051 5.917 ( -7.738 0.000 -1.433) 7.870 5.936 ( -0.362 0.000 -1.895) 1.929 6.038 ( -2.887 0.000 -10.621) 11.006 6.183 ( 1.377 0.000 4.184) 4.405 6.219 ( -3.958 0.000 -2.569) 4.718 6.323 ( -3.779 0.000 -2.779) 4.691 6.500 ( -3.958 0.000 -15.395) 15.896 6.630 ( -6.304 0.000 -2.005) 6.615 6.749 ( 6.847 0.000 2.488) 7.285 6.915 ( -2.382 0.000 5.131) 5.657 6.973 ( 6.267 0.000 -12.128) 13.651 6.985 ( -4.420 0.000 3.553) 5.671 7.156 ( 14.434 0.000 -0.998) 14.468 7.185 ( 7.253 0.000 2.036) 7.533 7.411 ( 6.163 0.000 4.979) 7.923 7.573 ( -2.155 0.000 -0.130) 2.159 7.599 ( -7.042 0.000 12.198) 14.085 7.933 ( 10.495 0.000 -12.710) 16.483 7.950 ( -8.474 0.000 8.316) 11.873 7.979 ( -1.324 0.000 18.945) 18.991 8.585 ( 11.633 0.000 17.604) 21.100 9.017 ( -22.723 0.000 6.578) 23.656 9.213 ( 2.110 0.000 -5.021) 5.446 9.349 ( -2.757 0.000 -7.278) 7.783 9.602 ( 3.475 0.000 -1.855) 3.939 9.636 ( -8.871 0.000 0.109) 8.872 9.799 ( 7.705 0.000 -10.444) 12.979 9.899 ( 6.033 0.000 -1.004) 6.116 10.043 ( -3.891 0.000 -13.750) 14.290 10.376 ( -0.567 0.000 -20.230) 20.238 10.434 ( -8.682 0.000 4.696) 9.871 10.595 ( -6.219 0.000 4.008) 7.398 10.706 ( 5.953 0.000 -2.931) 6.635 10.833 ( 4.720 0.000 -6.804) 8.281 10.966 ( 3.724 0.000 -0.002) 3.724 11.066 ( 6.754 0.000 -3.868) 7.783 11.258 ( 3.506 0.000 11.209) 11.744 11.497 ( 4.486 0.000 -11.740) 12.568 11.812 ( -13.075 0.000 1.055) 13.118 11.866 ( -6.568 0.000 9.262) 11.355 12.193 ( 6.102 0.000 1.921) 6.398 12.423 ( -14.386 0.000 0.444) 14.393 12.742 ( 8.204 0.000 4.641) 9.426 12.790 ( 3.111 0.000 -6.552) 7.253 12.852 ( 2.677 0.000 -0.016) 2.677 12.935 ( 3.862 0.000 -18.163) 18.569 13.165 ( 12.423 0.000 -6.134) 13.855 13.218 ( -0.171 0.000 -1.919) 1.927 13.597 ( -3.574 0.000 5.436) 6.506 13.716 ( -0.591 0.000 -11.490) 11.505 13.778 ( -2.163 0.000 14.111) 14.276 14.003 ( 1.243 0.000 1.539) 1.979 14.113 ( -5.202 0.000 -4.445) 6.842 14.184 ( 0.439 0.000 8.350) 8.362 14.351 ( -0.692 0.000 3.093) 3.169 14.430 ( 1.632 0.000 0.256) 1.651 14.539 ( 3.111 0.000 6.397) 7.114 14.557 ( -4.333 0.000 8.455) 9.501 14.690 ( -4.596 0.000 7.511) 8.806 14.984 ( -2.633 0.000 -6.484) 6.998 15.283 ( -8.100 0.000 7.470) 11.019 15.340 ( -2.675 0.000 1.261) 2.958 15.570 ( 1.031 0.000 9.514) 9.570 15.578 ( 0.345 0.000 -11.331) 11.336 15.891 ( -5.271 0.000 0.606) 5.306 15.927 ( -1.252 0.000 2.712) 2.987 16.439 ( -6.874 0.000 -8.267) 10.751 17.786 ( 7.429 0.000 0.724) 7.464 17.823 ( 8.417 0.000 0.882) 8.463 17.872 ( 10.564 0.000 -0.861) 10.599 18.256 ( 26.183 0.000 -25.232) 36.362 18.651 ( -0.683 0.000 1.876) 1.996 18.704 ( -2.023 0.000 -0.782) 2.168 18.732 ( 0.566 0.000 0.649) 0.861 18.860 ( 4.036 0.000 -2.192) 4.593 18.878 ( 0.265 0.000 3.115) 3.126 19.059 ( -1.897 0.000 2.449) 3.097 19.112 ( -1.031 0.000 -2.140) 2.376 19.199 ( -0.136 0.000 -1.035) 1.044 19.222 ( 0.562 0.000 1.227) 1.350 19.299 ( 2.035 0.000 -0.764) 2.174 19.659 ( -3.125 0.000 2.451) 3.972 19.797 ( -11.551 0.000 5.497) 12.792 31.791 ( 0.234 0.000 -1.275) 1.296 31.819 ( 0.198 0.000 -1.517) 1.529 31.851 ( -0.715 0.000 1.131) 1.338 31.902 ( -0.858 0.000 -0.145) 0.870 31.906 ( 1.164 0.000 1.828) 2.167 31.974 ( 0.653 0.000 -0.851) 1.073 32.020 ( -0.680 0.000 0.907) 1.134 32.026 ( -0.396 0.000 1.332) 1.390 52.207 ( 0.010 0.000 1.509) 1.509 52.359 ( -0.545 0.000 5.605) 5.632 52.362 ( -1.817 0.000 -2.060) 2.747 52.715 ( -19.595 0.000 16.864) 25.852 53.009 ( -1.123 0.000 0.740) 1.345 53.347 ( -3.107 0.000 -0.394) 3.132 53.427 ( -1.915 0.000 0.843) 2.092 53.671 ( -1.123 0.000 -5.761) 5.869 ======================= Grid point 47 (18/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 27.825 0.000 10.396) 29.704 1.483 ( 28.475 0.000 20.365) 35.008 1.761 ( 17.918 0.000 5.728) 18.811 2.405 ( -3.173 0.000 -14.693) 15.032 2.433 ( 1.142 0.000 -17.610) 17.647 2.546 ( 26.368 0.000 20.019) 33.107 2.754 ( 10.510 0.000 -0.116) 10.511 2.791 ( 16.384 0.000 2.387) 16.557 2.871 ( -3.291 0.000 3.777) 5.010 3.118 ( 3.338 0.000 3.155) 4.593 3.203 ( 8.251 0.000 -0.279) 8.256 3.211 ( -3.953 0.000 -11.808) 12.452 3.380 ( -3.158 0.000 2.950) 4.321 3.382 ( -0.827 0.000 0.359) 0.902 3.415 ( 5.700 0.000 3.692) 6.791 3.446 ( -5.062 0.000 1.703) 5.341 3.601 ( 3.623 0.000 -0.297) 3.635 3.614 ( -0.474 0.000 -0.577) 0.747 3.720 ( 3.614 0.000 -0.343) 3.631 3.727 ( -2.460 0.000 -4.530) 5.154 3.796 ( -0.670 0.000 2.495) 2.583 3.798 ( 0.174 0.000 -8.240) 8.242 4.040 ( -0.340 0.000 -0.450) 0.564 4.040 ( -17.568 0.000 4.584) 18.156 4.192 ( 6.145 0.000 3.421) 7.033 4.335 ( 13.604 0.000 -3.588) 14.069 4.412 ( 10.673 0.000 3.811) 11.333 4.433 ( -2.146 0.000 5.112) 5.544 4.540 ( -4.755 0.000 1.827) 5.094 4.604 ( -0.570 0.000 -0.876) 1.045 4.610 ( 3.100 0.000 -3.679) 4.811 4.646 ( -2.698 0.000 5.680) 6.288 4.953 ( 1.102 0.000 11.566) 11.618 4.955 ( -1.695 0.000 -6.968) 7.171 5.019 ( 2.762 0.000 -0.852) 2.890 5.062 ( -0.839 0.000 -0.589) 1.025 5.114 ( 3.678 0.000 -3.498) 5.075 5.176 ( -2.500 0.000 18.407) 18.576 5.358 ( -4.339 0.000 -3.987) 5.893 5.426 ( -5.146 0.000 0.024) 5.146 5.610 ( -5.905 0.000 0.463) 5.923 5.661 ( 0.091 0.000 5.161) 5.161 5.721 ( 8.161 0.000 3.311) 8.807 5.756 ( 5.832 0.000 -1.655) 6.063 5.778 ( 1.912 0.000 -2.159) 2.884 5.886 ( 0.453 0.000 -2.150) 2.198 5.947 ( 2.396 0.000 -0.445) 2.437 5.963 ( -4.886 0.000 -6.008) 7.744 6.112 ( -7.770 0.000 -3.983) 8.732 6.254 ( -3.925 0.000 -2.406) 4.604 6.306 ( 6.627 0.000 7.278) 9.844 6.436 ( 0.452 0.000 -5.537) 5.555 6.461 ( -9.069 0.000 0.968) 9.120 6.746 ( -2.312 0.000 -2.211) 3.199 6.809 ( -8.848 0.000 -0.004) 8.848 6.986 ( 3.189 0.000 11.586) 12.017 6.999 ( -4.620 0.000 -8.104) 9.328 7.301 ( 2.018 0.000 6.215) 6.534 7.427 ( 1.808 0.000 0.292) 1.832 7.439 ( -1.119 0.000 -0.225) 1.141 7.649 ( 8.263 0.000 5.835) 10.116 7.696 ( 20.057 0.000 -1.947) 20.151 7.797 ( 0.728 0.000 -5.738) 5.784 7.945 ( -1.949 0.000 17.106) 17.216 8.212 ( 14.892 0.000 -11.903) 19.065 8.514 ( -28.907 0.000 8.000) 29.993 8.776 ( 7.774 0.000 15.512) 17.351 9.202 ( -3.319 0.000 -15.289) 15.645 9.254 ( -8.048 0.000 -5.521) 9.760 9.540 ( 0.580 0.000 1.693) 1.790 9.633 ( 0.780 0.000 -0.325) 0.845 9.825 ( -1.791 0.000 3.155) 3.628 9.924 ( -7.414 0.000 -11.473) 13.660 10.000 ( 3.239 0.000 -10.555) 11.040 10.291 ( -4.945 0.000 12.593) 13.529 10.335 ( -3.498 0.000 -17.083) 17.438 10.467 ( -7.431 0.000 2.150) 7.736 10.887 ( -2.189 0.000 -4.825) 5.299 10.914 ( 13.224 0.000 -6.303) 14.649 11.013 ( 1.605 0.000 2.446) 2.926 11.112 ( -0.144 0.000 -3.919) 3.922 11.278 ( -1.138 0.000 4.546) 4.686 11.491 ( -6.197 0.000 -4.864) 7.878 11.597 ( -6.781 0.000 0.818) 6.831 11.744 ( -4.451 0.000 16.154) 16.756 12.173 ( -11.156 0.000 5.286) 12.345 12.319 ( 7.059 0.000 -0.776) 7.101 12.753 ( -3.187 0.000 -11.357) 11.796 12.908 ( 6.226 0.000 -1.445) 6.391 12.943 ( 6.244 0.000 0.816) 6.297 13.072 ( 8.475 0.000 -4.645) 9.665 13.213 ( 0.102 0.000 -2.662) 2.664 13.329 ( 3.594 0.000 -7.190) 8.039 13.540 ( -1.020 0.000 1.085) 1.490 13.701 ( -1.065 0.000 -11.622) 11.670 13.716 ( -4.317 0.000 7.908) 9.009 14.037 ( 2.280 0.000 3.633) 4.289 14.049 ( -1.051 0.000 0.132) 1.059 14.177 ( -0.967 0.000 8.815) 8.868 14.336 ( -1.391 0.000 2.767) 3.097 14.496 ( 4.832 0.000 -1.018) 4.938 14.522 ( -0.337 0.000 5.486) 5.496 14.579 ( -6.041 0.000 7.799) 9.865 14.594 ( 2.472 0.000 4.100) 4.788 14.956 ( -0.548 0.000 -2.142) 2.211 15.161 ( -5.509 0.000 2.897) 6.224 15.295 ( -1.490 0.000 -0.431) 1.551 15.554 ( -3.206 0.000 -11.812) 12.239 15.620 ( 3.651 0.000 6.255) 7.242 15.812 ( -1.950 0.000 1.270) 2.327 15.891 ( -2.425 0.000 2.358) 3.382 16.268 ( -10.467 0.000 -5.192) 11.684 17.972 ( 11.429 0.000 0.665) 11.448 18.021 ( 11.654 0.000 0.680) 11.674 18.118 ( 14.019 0.000 -0.604) 14.032 18.549 ( 5.132 0.000 -12.169) 13.207 18.631 ( -1.637 0.000 0.618) 1.750 18.691 ( 2.375 0.000 -6.555) 6.972 18.731 ( -0.985 0.000 1.787) 2.040 18.886 ( 0.558 0.000 3.041) 3.092 18.930 ( 2.480 0.000 -4.363) 5.019 19.016 ( -2.443 0.000 3.099) 3.947 19.098 ( 0.332 0.000 -0.300) 0.448 19.198 ( 0.132 0.000 -1.511) 1.516 19.235 ( 0.732 0.000 1.690) 1.841 19.345 ( 2.590 0.000 -0.946) 2.757 19.585 ( -4.361 0.000 1.649) 4.663 19.607 ( -8.583 0.000 5.655) 10.279 31.798 ( 0.482 0.000 -1.319) 1.404 31.825 ( 0.452 0.000 -1.643) 1.704 31.839 ( -0.608 0.000 0.433) 0.746 31.884 ( -0.961 0.000 -0.881) 1.304 31.925 ( 0.922 0.000 2.341) 2.516 31.985 ( 0.450 0.000 0.095) 0.460 32.002 ( -1.107 0.000 1.137) 1.587 32.017 ( -0.508 0.000 1.310) 1.406 52.211 ( 0.535 0.000 1.268) 1.377 52.330 ( -0.896 0.000 -0.857) 1.239 52.341 ( -1.391 0.000 4.635) 4.839 52.500 ( -5.829 0.000 9.146) 10.846 53.030 ( 2.441 0.000 -1.371) 2.800 53.282 ( -3.139 0.000 -3.043) 4.372 53.376 ( -3.356 0.000 2.439) 4.148 53.564 ( -8.415 0.000 -2.203) 8.699 ======================= Grid point 48 (19/45) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 23.945 0.000 2.039) 24.032 2.008 ( 22.983 0.000 6.105) 23.780 2.138 ( 21.135 0.000 9.452) 23.153 2.391 ( 3.079 0.000 -10.973) 11.397 2.459 ( -0.541 0.000 -12.480) 12.492 2.710 ( 4.804 0.000 -2.268) 5.312 2.771 ( -2.411 0.000 8.488) 8.823 2.942 ( -4.454 0.000 1.986) 4.876 3.050 ( 0.581 0.000 -3.478) 3.527 3.177 ( 7.315 0.000 4.245) 8.458 3.205 ( -18.844 0.000 3.790) 19.221 3.274 ( 3.798 0.000 -3.838) 5.400 3.312 ( 5.955 0.000 1.243) 6.083 3.343 ( 2.686 0.000 2.341) 3.564 3.405 ( 4.615 0.000 2.452) 5.226 3.513 ( -6.958 0.000 0.696) 6.993 3.522 ( 0.508 0.000 1.842) 1.911 3.619 ( -2.774 0.000 -1.695) 3.250 3.656 ( -6.181 0.000 -1.063) 6.272 3.698 ( -1.679 0.000 -0.094) 1.682 3.728 ( -4.493 0.000 1.088) 4.623 3.806 ( -8.317 0.000 1.348) 8.425 3.906 ( 8.922 0.000 -8.389) 12.247 4.145 ( 14.611 0.000 8.126) 16.718 4.285 ( 5.081 0.000 5.975) 7.844 4.416 ( -5.760 0.000 -3.853) 6.930 4.431 ( 0.765 0.000 6.126) 6.174 4.556 ( 9.551 0.000 -1.362) 9.648 4.560 ( -1.794 0.000 6.423) 6.669 4.647 ( -3.339 0.000 3.142) 4.585 4.656 ( 14.413 0.000 -5.414) 15.397 4.722 ( 2.144 0.000 -2.713) 3.458 4.896 ( 1.664 0.000 5.722) 5.959 4.963 ( -8.952 0.000 3.738) 9.701 5.036 ( 0.762 0.000 -2.953) 3.049 5.088 ( 10.942 0.000 -6.250) 12.601 5.189 ( 1.888 0.000 -9.277) 9.467 5.268 ( -8.591 0.000 1.396) 8.704 5.313 ( 4.253 0.000 2.884) 5.138 5.354 ( 9.408 0.000 12.225) 15.426 5.508 ( -1.942 0.000 3.550) 4.047 5.594 ( -4.309 0.000 8.866) 9.857 5.813 ( -6.571 0.000 -8.474) 10.724 5.837 ( -2.061 0.000 2.392) 3.158 5.859 ( 9.684 0.000 -8.948) 13.185 5.864 ( -4.328 0.000 -3.319) 5.454 5.934 ( 6.443 0.000 0.859) 6.500 5.961 ( -4.598 0.000 3.798) 5.963 6.081 ( 7.882 0.000 1.111) 7.960 6.225 ( 1.200 0.000 -0.165) 1.212 6.253 ( -5.918 0.000 3.865) 7.069 6.437 ( 1.636 0.000 -1.034) 1.936 6.447 ( -3.366 0.000 -6.090) 6.958 6.633 ( -7.633 0.000 -1.959) 7.880 6.731 ( 1.394 0.000 -5.799) 5.964 6.847 ( -8.127 0.000 -3.686) 8.924 7.044 ( 3.255 0.000 14.159) 14.528 7.283 ( -1.522 0.000 -0.183) 1.533 7.393 ( -0.259 0.000 -1.159) 1.187 7.543 ( 6.405 0.000 6.550) 9.161 7.641 ( -8.105 0.000 -4.176) 9.118 7.795 ( 5.308 0.000 6.272) 8.217 7.909 ( -2.826 0.000 13.976) 14.258 7.984 ( -22.530 0.000 13.493) 26.262 8.264 ( 25.100 0.000 -11.391) 27.564 8.475 ( 12.247 0.000 -12.938) 17.815 8.851 ( -0.351 0.000 5.651) 5.662 9.037 ( -8.884 0.000 -10.079) 13.435 9.230 ( 3.082 0.000 -11.693) 12.093 9.514 ( -6.154 0.000 -6.166) 8.712 9.648 ( 1.175 0.000 1.294) 1.748 9.767 ( -3.974 0.000 3.006) 4.983 9.867 ( 3.650 0.000 -1.848) 4.091 10.048 ( 2.756 0.000 -10.174) 10.541 10.216 ( -6.604 0.000 8.351) 10.647 10.243 ( -6.000 0.000 -14.779) 15.951 10.344 ( -1.861 0.000 9.601) 9.779 10.695 ( -14.800 0.000 2.372) 14.989 11.076 ( 4.354 0.000 6.907) 8.165 11.100 ( -0.175 0.000 -7.095) 7.097 11.124 ( 6.005 0.000 -7.266) 9.426 11.235 ( -3.364 0.000 1.608) 3.728 11.364 ( -2.334 0.000 -0.418) 2.371 11.524 ( -3.416 0.000 0.220) 3.423 11.735 ( 3.384 0.000 15.712) 16.072 11.993 ( -8.342 0.000 7.512) 11.226 12.453 ( 6.828 0.000 -3.478) 7.663 12.675 ( -4.786 0.000 -9.276) 10.437 13.006 ( 4.417 0.000 1.010) 4.531 13.072 ( 6.997 0.000 0.821) 7.045 13.134 ( -1.661 0.000 4.144) 4.465 13.304 ( -4.440 0.000 -1.739) 4.768 13.306 ( 9.072 0.000 -9.006) 12.783 13.571 ( 3.037 0.000 -6.367) 7.054 13.615 ( -6.285 0.000 -1.580) 6.481 13.673 ( -1.933 0.000 -10.257) 10.438 14.067 ( 2.727 0.000 5.795) 6.404 14.083 ( 2.401 0.000 4.945) 5.497 14.154 ( -1.408 0.000 7.423) 7.555 14.268 ( -5.850 0.000 5.565) 8.074 14.506 ( -1.141 0.000 5.680) 5.794 14.520 ( -0.244 0.000 2.404) 2.416 14.584 ( 3.753 0.000 -0.941) 3.869 14.627 ( 0.974 0.000 2.033) 2.254 14.960 ( 1.013 0.000 -0.676) 1.218 15.066 ( -4.436 0.000 1.347) 4.636 15.300 ( 2.212 0.000 -3.908) 4.491 15.470 ( -5.115 0.000 -10.642) 11.808 15.696 ( 4.109 0.000 4.398) 6.019 15.821 ( 2.565 0.000 1.082) 2.784 15.838 ( -3.164 0.000 2.381) 3.960 16.067 ( -9.991 0.000 -1.997) 10.189 18.195 ( 11.466 0.000 0.421) 11.474 18.244 ( 11.304 0.000 -0.015) 11.304 18.366 ( 11.198 0.000 -0.633) 11.216 18.523 ( -4.993 0.000 -1.447) 5.199 18.579 ( -3.910 0.000 0.127) 3.912 18.685 ( -4.018 0.000 2.185) 4.574 18.782 ( 5.092 0.000 -9.649) 10.910 18.901 ( 1.062 0.000 3.487) 3.645 18.929 ( -2.260 0.000 -5.749) 6.177 18.970 ( -2.378 0.000 3.694) 4.393 19.141 ( 3.335 0.000 -0.997) 3.481 19.200 ( -0.119 0.000 -2.070) 2.074 19.258 ( 2.259 0.000 3.086) 3.824 19.394 ( 2.604 0.000 -0.840) 2.736 19.460 ( -7.106 0.000 3.965) 8.137 19.506 ( -3.694 0.000 0.700) 3.760 31.808 ( 0.535 0.000 -1.144) 1.262 31.828 ( -0.532 0.000 -0.207) 0.571 31.835 ( 0.676 0.000 -1.663) 1.796 31.866 ( -0.913 0.000 -1.297) 1.586 31.942 ( 0.881 0.000 2.274) 2.439 31.980 ( -1.155 0.000 1.532) 1.918 31.992 ( 0.334 0.000 0.674) 0.752 32.008 ( -0.493 0.000 1.176) 1.275 52.230 ( 1.437 0.000 1.319) 1.950 52.307 ( -2.144 0.000 3.187) 3.841 52.334 ( 1.196 0.000 -1.019) 1.571 52.422 ( -3.171 0.000 2.631) 4.120 53.100 ( 5.020 0.000 -0.347) 5.032 53.243 ( -0.747 0.000 -2.526) 2.634 53.309 ( -3.435 0.000 1.567) 3.776 53.388 ( -9.484 0.000 -0.359) 9.491 ======================= Grid point 49 (20/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -5.966 0.000 -0.822) 6.023 2.274 ( 5.966 0.000 -0.822) 6.023 2.317 ( -14.624 0.000 -3.721) 15.090 2.317 ( 14.624 0.000 -3.721) 15.090 2.728 ( -25.855 0.000 6.854) 26.748 2.728 ( 25.855 0.000 6.854) 26.748 2.827 ( -6.923 0.000 -4.534) 8.276 2.827 ( 6.923 0.000 -4.534) 8.276 2.870 ( -10.760 0.000 1.697) 10.893 2.870 ( 10.760 0.000 1.697) 10.893 3.277 ( -5.269 0.000 3.192) 6.161 3.277 ( 5.269 0.000 3.192) 6.161 3.410 ( -1.611 0.000 -2.970) 3.378 3.410 ( 1.611 0.000 -2.970) 3.378 3.476 ( -1.740 0.000 1.929) 2.598 3.476 ( 1.740 0.000 1.929) 2.598 3.531 ( -3.642 0.000 3.752) 5.229 3.531 ( 3.642 0.000 3.752) 5.229 3.603 ( -7.431 0.000 -2.918) 7.983 3.603 ( 7.431 0.000 -2.918) 7.983 3.707 ( -1.957 0.000 0.861) 2.138 3.707 ( 1.957 0.000 0.861) 2.138 4.113 ( -11.495 0.000 -7.067) 13.494 4.113 ( 11.495 0.000 -7.067) 13.494 4.398 ( -2.645 0.000 4.522) 5.239 4.398 ( 2.645 0.000 4.522) 5.239 4.558 ( -4.168 0.000 7.260) 8.371 4.558 ( 4.168 0.000 7.260) 8.371 4.670 ( -20.132 0.000 9.414) 22.224 4.670 ( 20.132 0.000 9.414) 22.224 4.691 ( -4.624 0.000 -3.348) 5.709 4.691 ( 4.624 0.000 -3.348) 5.709 4.907 ( -11.336 0.000 -4.245) 12.105 4.907 ( 11.336 0.000 -4.245) 12.105 5.053 ( -11.074 0.000 0.446) 11.083 5.053 ( 11.074 0.000 0.446) 11.083 5.203 ( -1.202 0.000 -8.278) 8.365 5.203 ( 1.202 0.000 -8.278) 8.365 5.504 ( -5.670 0.000 11.362) 12.699 5.504 ( 5.670 0.000 11.362) 12.699 5.523 ( -5.321 0.000 -0.122) 5.322 5.523 ( 5.321 0.000 -0.122) 5.322 5.684 ( -3.265 0.000 3.609) 4.867 5.684 ( 3.265 0.000 3.609) 4.867 5.903 ( -2.882 0.000 0.444) 2.916 5.903 ( 2.882 0.000 0.444) 2.916 6.031 ( -6.383 0.000 1.358) 6.526 6.031 ( 6.383 0.000 1.358) 6.526 6.118 ( -11.835 0.000 -2.925) 12.191 6.118 ( 11.835 0.000 -2.925) 12.191 6.308 ( -7.676 0.000 -2.746) 8.152 6.308 ( 7.676 0.000 -2.746) 8.152 6.524 ( -6.325 0.000 -4.062) 7.517 6.524 ( 6.325 0.000 -4.062) 7.517 6.765 ( -1.754 0.000 -5.158) 5.448 6.765 ( 1.754 0.000 -5.158) 5.448 7.173 ( -9.891 0.000 2.873) 10.300 7.173 ( 9.891 0.000 2.873) 10.300 7.472 ( -8.135 0.000 -2.981) 8.664 7.472 ( 8.135 0.000 -2.981) 8.664 7.646 ( -7.149 0.000 14.530) 16.194 7.646 ( 7.149 0.000 14.530) 16.194 7.894 ( -1.983 0.000 10.902) 11.081 7.894 ( 1.983 0.000 10.902) 11.081 8.572 ( -6.393 0.000 -14.650) 15.984 8.572 ( 6.393 0.000 -14.650) 15.984 8.886 ( -7.553 0.000 -4.523) 8.803 8.886 ( 7.553 0.000 -4.523) 8.803 9.348 ( -9.061 0.000 -9.090) 12.834 9.348 ( 9.061 0.000 -9.090) 12.834 9.691 ( -3.433 0.000 2.280) 4.121 9.691 ( 3.433 0.000 2.280) 4.121 10.024 ( -10.973 0.000 0.754) 10.998 10.024 ( 10.973 0.000 0.754) 10.998 10.127 ( -5.600 0.000 -12.044) 13.282 10.127 ( 5.600 0.000 -12.044) 13.282 10.439 ( -10.320 0.000 13.157) 16.722 10.439 ( 10.320 0.000 13.157) 16.722 11.122 ( -2.414 0.000 -7.353) 7.739 11.122 ( 2.414 0.000 -7.353) 7.739 11.160 ( -4.288 0.000 4.902) 6.513 11.160 ( 4.288 0.000 4.902) 6.513 11.435 ( -5.947 0.000 -0.476) 5.966 11.435 ( 5.947 0.000 -0.476) 5.966 11.844 ( -7.268 0.000 10.626) 12.874 11.844 ( 7.268 0.000 10.626) 12.874 12.574 ( -5.882 0.000 -6.263) 8.591 12.574 ( 5.882 0.000 -6.263) 8.591 13.081 ( -3.491 0.000 3.260) 4.776 13.081 ( 3.491 0.000 3.260) 4.776 13.200 ( -6.263 0.000 0.046) 6.263 13.200 ( 6.263 0.000 0.046) 6.263 13.476 ( -8.316 0.000 -6.842) 10.769 13.476 ( 8.316 0.000 -6.842) 10.769 13.628 ( -2.749 0.000 -8.708) 9.131 13.628 ( 2.749 0.000 -8.708) 9.131 14.124 ( -1.829 0.000 6.044) 6.315 14.124 ( 1.829 0.000 6.044) 6.315 14.149 ( -5.759 0.000 7.783) 9.682 14.149 ( 5.759 0.000 7.783) 9.682 14.510 ( -0.740 0.000 2.533) 2.639 14.510 ( 0.740 0.000 2.533) 2.639 14.629 ( -0.990 0.000 0.365) 1.055 14.629 ( 0.990 0.000 0.365) 1.055 14.996 ( -2.828 0.000 0.441) 2.862 14.996 ( 2.828 0.000 0.441) 2.862 15.372 ( -4.897 0.000 -8.181) 9.535 15.372 ( 4.897 0.000 -8.181) 9.535 15.772 ( -3.784 0.000 3.112) 4.899 15.772 ( 3.784 0.000 3.112) 4.899 15.907 ( -6.568 0.000 0.360) 6.578 15.907 ( 6.568 0.000 0.360) 6.578 18.391 ( -8.820 0.000 -0.086) 8.820 18.391 ( 8.820 0.000 -0.086) 8.820 18.429 ( -7.118 0.000 -1.488) 7.272 18.429 ( 7.118 0.000 -1.488) 7.272 18.580 ( -6.426 0.000 2.056) 6.747 18.580 ( 6.426 0.000 2.056) 6.747 18.867 ( -3.947 0.000 -6.927) 7.973 18.867 ( 3.947 0.000 -6.927) 7.973 18.929 ( -1.856 0.000 3.856) 4.280 18.929 ( 1.856 0.000 3.856) 4.280 19.187 ( -1.399 0.000 -2.364) 2.747 19.187 ( 1.399 0.000 -2.364) 2.747 19.336 ( -5.713 0.000 3.775) 6.847 19.336 ( 5.713 0.000 3.775) 6.847 19.445 ( -2.839 0.000 -0.222) 2.847 19.445 ( 2.839 0.000 -0.222) 2.847 31.818 ( -0.518 0.000 -0.764) 0.923 31.818 ( 0.518 0.000 -0.764) 0.923 31.850 ( -0.821 0.000 -1.544) 1.749 31.850 ( 0.821 0.000 -1.544) 1.749 31.960 ( -0.999 0.000 1.956) 2.196 31.960 ( 0.999 0.000 1.956) 2.196 31.999 ( -0.428 0.000 0.983) 1.072 31.999 ( 0.428 0.000 0.983) 1.072 52.264 ( -2.158 0.000 1.940) 2.901 52.264 ( 2.158 0.000 1.940) 2.901 52.370 ( -2.372 0.000 -0.239) 2.384 52.370 ( 2.372 0.000 -0.239) 2.384 53.222 ( -7.758 0.000 0.213) 7.761 53.222 ( 7.758 0.000 0.213) 7.761 53.255 ( -1.928 0.000 -0.469) 1.985 53.255 ( 1.928 0.000 -0.469) 1.985 ======================= Grid point 54 (21/45) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.000 21.439 25.884) 33.609 0.991 ( 0.000 26.151 20.549) 33.258 1.518 ( 0.000 12.971 8.503) 15.510 2.099 ( 0.000 47.450 41.480) 63.024 2.367 ( 0.000 -5.478 6.940) 8.842 2.485 ( 0.000 5.713 -16.414) 17.380 2.522 ( 0.000 -0.796 -19.327) 19.344 2.653 ( 0.000 -12.766 -19.306) 23.144 2.787 ( 0.000 5.123 -1.476) 5.331 2.837 ( 0.000 -3.712 -7.101) 8.013 3.063 ( 0.000 0.679 2.204) 2.306 3.243 ( 0.000 -8.638 -2.761) 9.069 3.329 ( 0.000 2.109 0.127) 2.112 3.333 ( 0.000 -2.736 -2.165) 3.489 3.401 ( 0.000 -0.906 3.375) 3.494 3.511 ( 0.000 -1.868 -0.338) 1.898 3.522 ( 0.000 -1.174 -0.048) 1.175 3.557 ( 0.000 -9.423 -4.191) 10.313 3.614 ( 0.000 -3.329 3.109) 4.555 3.692 ( 0.000 1.161 -9.479) 9.550 3.710 ( 0.000 -6.723 -5.129) 8.456 3.868 ( 0.000 -0.966 -3.480) 3.612 3.911 ( 0.000 3.324 -3.999) 5.200 3.937 ( 0.000 0.559 -2.903) 2.956 3.994 ( 0.000 -2.612 4.848) 5.507 4.163 ( 0.000 -3.882 3.271) 5.077 4.455 ( 0.000 -1.780 4.557) 4.893 4.462 ( 0.000 -12.026 2.331) 12.250 4.639 ( 0.000 0.026 4.915) 4.915 4.690 ( 0.000 -1.848 11.885) 12.028 4.716 ( 0.000 -7.653 4.885) 9.079 4.806 ( 0.000 4.855 -5.473) 7.316 4.841 ( 0.000 1.504 6.283) 6.461 4.935 ( 0.000 -7.518 -4.600) 8.813 5.044 ( 0.000 -4.285 15.931) 16.497 5.053 ( 0.000 -0.611 8.128) 8.151 5.154 ( 0.000 7.398 3.975) 8.398 5.213 ( 0.000 -1.725 9.893) 10.043 5.461 ( 0.000 6.375 -3.613) 7.328 5.502 ( 0.000 8.944 7.082) 11.408 5.518 ( 0.000 6.396 0.195) 6.399 5.595 ( 0.000 -4.330 3.572) 5.613 5.692 ( 0.000 -13.814 -0.931) 13.845 5.797 ( 0.000 7.983 -4.263) 9.050 5.839 ( 0.000 -3.769 -0.926) 3.881 5.998 ( 0.000 6.428 -0.635) 6.459 6.031 ( 0.000 -4.948 -2.674) 5.624 6.229 ( 0.000 7.664 -5.534) 9.453 6.269 ( 0.000 6.213 1.782) 6.463 6.309 ( 0.000 -3.971 -1.711) 4.324 6.370 ( 0.000 3.618 1.328) 3.854 6.469 ( 0.000 -5.500 -3.431) 6.482 6.577 ( 0.000 -4.959 -7.554) 9.037 6.788 ( 0.000 -7.400 5.040) 8.954 6.850 ( 0.000 18.169 -33.023) 37.691 6.977 ( 0.000 -8.839 6.099) 10.739 6.993 ( 0.000 -3.131 4.499) 5.481 7.097 ( 0.000 3.895 5.429) 6.682 7.222 ( 0.000 -1.863 -9.677) 9.854 7.393 ( 0.000 8.665 1.041) 8.727 7.653 ( 0.000 4.184 -0.175) 4.188 7.748 ( 0.000 -5.648 -14.481) 15.543 7.883 ( 0.000 -3.855 7.970) 8.853 8.065 ( 0.000 17.198 10.205) 19.997 8.229 ( 0.000 12.963 16.077) 20.652 8.410 ( 0.000 -3.385 15.728) 16.088 9.046 ( 0.000 -19.212 -2.259) 19.344 9.060 ( 0.000 -12.463 -11.915) 17.243 9.347 ( 0.000 4.766 7.435) 8.832 9.487 ( 0.000 2.787 -1.663) 3.246 9.669 ( 0.000 0.130 1.980) 1.984 9.814 ( 0.000 6.749 -0.916) 6.811 9.855 ( 0.000 1.537 3.993) 4.278 10.050 ( 0.000 -2.483 -10.790) 11.072 10.319 ( 0.000 -7.662 -14.293) 16.217 10.408 ( 0.000 -11.729 3.325) 12.191 10.451 ( 0.000 -19.459 2.218) 19.585 10.532 ( 0.000 -10.518 2.561) 10.825 10.770 ( 0.000 3.352 -5.620) 6.543 10.850 ( 0.000 1.346 -15.830) 15.887 11.021 ( 0.000 7.252 6.436) 9.696 11.235 ( 0.000 2.112 13.779) 13.940 11.643 ( 0.000 18.814 -7.632) 20.303 11.941 ( 0.000 1.380 4.678) 4.877 12.064 ( 0.000 4.818 0.273) 4.826 12.084 ( 0.000 -1.417 5.882) 6.050 12.506 ( 0.000 -6.451 -2.317) 6.854 12.723 ( 0.000 -11.016 -16.371) 19.732 12.740 ( 0.000 5.656 3.223) 6.510 12.806 ( 0.000 8.634 9.729) 13.007 12.929 ( 0.000 -2.217 1.017) 2.439 12.941 ( 0.000 5.732 -10.089) 11.603 13.185 ( 0.000 -1.560 -7.636) 7.794 13.633 ( 0.000 -0.352 4.246) 4.261 13.670 ( 0.000 -6.718 14.022) 15.548 13.723 ( 0.000 0.658 -3.747) 3.804 13.942 ( 0.000 -8.770 -0.565) 8.789 14.099 ( 0.000 -3.669 6.982) 7.888 14.219 ( 0.000 3.151 -7.311) 7.961 14.305 ( 0.000 -4.910 0.875) 4.987 14.526 ( 0.000 2.935 8.527) 9.018 14.590 ( 0.000 12.128 0.075) 12.128 14.690 ( 0.000 4.118 3.319) 5.289 14.855 ( 0.000 4.800 4.923) 6.875 15.215 ( 0.000 -15.997 5.525) 16.924 15.320 ( 0.000 -4.859 2.454) 5.443 15.405 ( 0.000 -1.200 2.460) 2.737 15.464 ( 0.000 15.895 -5.143) 16.707 15.608 ( 0.000 4.296 -11.181) 11.978 15.862 ( 0.000 -6.726 -1.024) 6.803 15.901 ( 0.000 -3.008 1.492) 3.358 16.450 ( 0.000 -5.632 -10.258) 11.702 17.716 ( 0.000 0.368 0.636) 0.735 17.735 ( 0.000 -0.047 0.511) 0.513 17.775 ( 0.000 -0.041 -0.461) 0.463 17.777 ( 0.000 0.338 -1.396) 1.436 18.661 ( 0.000 0.308 2.604) 2.622 18.714 ( 0.000 -1.189 0.944) 1.519 18.744 ( 0.000 1.300 -0.592) 1.429 18.806 ( 0.000 -0.349 -1.543) 1.582 18.878 ( 0.000 0.209 3.191) 3.198 18.975 ( 0.000 -4.960 6.732) 8.362 19.122 ( 0.000 0.419 -2.945) 2.974 19.202 ( 0.000 -0.216 -1.675) 1.689 19.264 ( 0.000 4.497 1.721) 4.816 19.352 ( 0.000 6.473 -0.672) 6.508 19.647 ( 0.000 -4.163 3.146) 5.218 19.847 ( 0.000 -7.105 0.869) 7.157 31.813 ( 0.000 1.802 -0.824) 1.982 31.845 ( 0.000 1.237 -0.418) 1.306 31.882 ( 0.000 -0.385 0.775) 0.866 31.890 ( 0.000 2.633 2.052) 3.338 31.935 ( 0.000 2.126 0.872) 2.298 31.943 ( 0.000 -1.882 -1.401) 2.346 32.018 ( 0.000 -0.488 1.744) 1.811 32.041 ( 0.000 0.292 0.565) 0.636 52.288 ( 0.000 3.890 1.686) 4.240 52.362 ( 0.000 -0.169 6.058) 6.061 52.513 ( 0.000 9.941 -1.379) 10.036 52.964 ( 0.000 1.542 -9.453) 9.578 53.308 ( 0.000 -6.347 4.022) 7.514 53.344 ( 0.000 -0.998 -6.151) 6.231 53.437 ( 0.000 1.874 -5.300) 5.621 53.546 ( 0.000 -0.240 -1.957) 1.971 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 18.092 23.134 11.663) 31.599 1.263 ( 21.719 18.279 22.281) 36.087 1.597 ( 8.189 11.144 6.963) 15.483 2.288 ( 15.535 23.720 25.823) 38.351 2.412 ( -3.243 2.104 -15.362) 15.841 2.452 ( 12.198 6.258 5.833) 14.899 2.593 ( 0.418 -0.822 -16.792) 16.817 2.725 ( 7.851 -3.922 -4.376) 9.807 2.822 ( 4.758 -2.199 -8.041) 9.598 2.865 ( 2.232 0.157 -2.203) 3.140 3.109 ( 4.826 -2.660 0.006) 5.511 3.218 ( -2.748 -5.727 -1.905) 6.632 3.333 ( 0.873 -2.901 -1.478) 3.371 3.364 ( 2.919 3.172 1.019) 4.430 3.410 ( 0.317 0.179 3.472) 3.491 3.527 ( -1.219 -2.733 2.637) 3.989 3.543 ( 3.329 -1.045 -1.051) 3.644 3.554 ( 1.144 -6.220 -1.539) 6.508 3.603 ( 2.724 -1.407 -0.447) 3.098 3.624 ( -2.641 -0.782 -7.508) 7.997 3.776 ( -2.261 -4.831 -0.350) 5.346 3.864 ( -1.685 -0.337 -4.412) 4.735 3.974 ( 3.547 -2.694 -1.113) 4.591 4.025 ( 10.422 1.745 -2.521) 10.863 4.074 ( 8.492 -6.006 2.744) 10.757 4.162 ( 4.763 0.652 -2.341) 5.347 4.366 ( -5.750 -4.438 4.399) 8.492 4.467 ( -6.225 -3.768 5.056) 8.861 4.529 ( -8.372 -5.568 0.364) 10.060 4.608 ( -4.841 -5.508 -0.604) 7.358 4.687 ( -3.028 -0.075 11.469) 11.862 4.765 ( 0.372 0.232 7.395) 7.408 4.796 ( -2.568 5.527 -0.548) 6.119 5.007 ( 1.573 -3.265 6.883) 7.779 5.052 ( -1.959 1.324 2.880) 3.726 5.129 ( 0.638 4.943 5.672) 7.551 5.154 ( 5.908 -4.333 1.040) 7.400 5.236 ( 1.540 -2.411 4.337) 5.195 5.387 ( -5.883 3.276 0.322) 6.742 5.500 ( -2.612 7.860 1.337) 8.390 5.541 ( 6.443 9.546 6.588) 13.268 5.644 ( 0.694 -4.984 3.079) 5.900 5.675 ( -1.693 -3.612 -4.900) 6.318 5.739 ( 1.242 -3.401 1.129) 3.793 5.917 ( 1.990 7.931 -3.920) 9.068 5.996 ( 0.248 3.396 0.799) 3.498 6.024 ( -1.057 -0.004 -0.454) 1.151 6.079 ( -7.091 10.963 -0.938) 13.090 6.156 ( -5.126 1.583 0.769) 5.419 6.216 ( -6.978 -2.133 3.746) 8.203 6.432 ( 2.470 6.089 1.139) 6.669 6.543 ( -2.752 -1.536 -5.457) 6.302 6.612 ( -0.590 -3.277 -9.795) 10.346 6.727 ( -3.781 -10.445 1.411) 11.198 6.851 ( 0.760 -0.096 -1.947) 2.093 6.952 ( 2.145 8.723 -12.329) 15.254 7.072 ( 8.319 3.345 -3.777) 9.729 7.125 ( 3.420 -4.218 5.158) 7.489 7.305 ( 4.965 2.877 -5.797) 8.156 7.400 ( 2.989 1.648 2.316) 4.125 7.657 ( -0.617 5.695 -0.231) 5.733 7.696 ( -10.882 4.210 7.752) 14.008 7.821 ( -3.723 2.438 0.528) 4.482 7.968 ( 6.056 2.060 -3.052) 7.087 8.115 ( -5.527 8.710 14.000) 17.390 8.563 ( 9.055 -2.724 18.480) 20.759 9.051 ( -5.114 -12.217 -13.345) 18.802 9.082 ( -16.061 1.628 3.350) 16.487 9.129 ( 2.423 -13.133 2.696) 13.624 9.542 ( -4.812 -5.839 1.201) 7.661 9.672 ( 1.073 4.348 -2.993) 5.387 9.873 ( 0.820 0.091 4.850) 4.920 9.885 ( 4.933 3.560 -10.444) 12.086 10.043 ( -0.642 -0.884 -11.906) 11.956 10.268 ( -8.121 -11.196 -2.718) 14.095 10.304 ( -4.327 -10.213 -5.847) 12.538 10.439 ( 0.211 -14.231 0.590) 14.245 10.624 ( 6.387 -10.729 6.903) 14.267 10.791 ( 2.475 5.021 -5.428) 7.797 10.954 ( 6.203 0.199 -9.168) 11.071 11.151 ( 11.566 2.582 -3.431) 12.337 11.309 ( 5.356 3.307 10.870) 12.561 11.623 ( -1.838 16.043 -8.135) 18.082 11.842 ( -9.595 2.196 5.437) 11.245 11.907 ( -9.006 2.764 7.139) 11.820 12.194 ( 5.223 0.760 0.823) 5.342 12.402 ( -9.728 -1.860 -0.798) 9.937 12.694 ( -1.745 -9.451 -13.109) 16.255 12.787 ( 2.124 3.465 4.912) 6.375 12.815 ( 4.400 -2.534 1.824) 5.395 12.914 ( 6.293 5.464 -0.606) 8.356 13.183 ( 3.376 -0.263 -9.082) 9.693 13.186 ( 9.238 0.110 -6.654) 11.385 13.606 ( -2.743 -2.020 8.485) 9.143 13.646 ( -1.840 -4.546 -0.003) 4.905 13.729 ( -0.509 -1.133 0.858) 1.510 13.930 ( -0.534 -7.543 2.279) 7.898 14.102 ( 0.950 1.452 2.578) 3.108 14.245 ( 1.911 -1.730 -1.937) 3.225 14.327 ( 2.079 -3.138 1.142) 3.933 14.504 ( -2.821 5.101 7.127) 9.207 14.576 ( -1.453 9.608 1.321) 9.806 14.647 ( -3.688 3.649 2.030) 5.571 14.833 ( -3.351 7.398 9.499) 12.498 15.021 ( -9.650 -5.657 4.343) 11.999 15.299 ( -1.971 -4.054 1.998) 4.931 15.369 ( -5.028 10.684 -4.848) 12.764 15.518 ( 4.362 0.214 5.215) 6.802 15.589 ( -1.260 1.955 -10.635) 10.886 15.819 ( -3.206 -5.361 0.163) 6.249 15.896 ( -0.931 -2.869 1.717) 3.471 16.379 ( -7.012 -5.888 -8.500) 12.493 17.789 ( 7.425 0.259 0.732) 7.466 17.820 ( 8.316 -0.390 0.984) 8.383 17.872 ( 10.324 0.223 -1.197) 10.395 18.113 ( 23.606 -9.660 -13.150) 28.696 18.661 ( -0.188 0.744 2.017) 2.158 18.699 ( -1.499 -0.274 0.548) 1.619 18.737 ( -0.484 0.535 0.062) 0.724 18.836 ( 2.300 -1.773 -1.194) 3.140 18.886 ( 0.994 0.453 2.794) 3.000 18.982 ( 0.651 -4.032 6.004) 7.262 19.117 ( -0.469 0.756 -2.259) 2.428 19.207 ( 0.530 -0.138 -1.637) 1.726 19.263 ( -0.061 4.049 1.608) 4.357 19.345 ( -0.710 5.410 -0.274) 5.464 19.619 ( -2.735 -3.805 2.786) 5.452 19.767 ( -7.032 -3.667 1.928) 8.162 31.812 ( -0.065 1.695 -0.898) 1.919 31.839 ( -0.387 1.145 -0.592) 1.346 31.863 ( -0.958 0.968 0.639) 1.505 31.903 ( -0.273 0.399 0.296) 0.566 31.923 ( 0.131 1.169 1.170) 1.659 31.960 ( 0.859 -0.513 0.323) 1.051 32.016 ( -0.219 -0.296 1.682) 1.722 32.037 ( -0.557 0.265 0.464) 0.772 52.292 ( 0.449 4.063 1.205) 4.262 52.362 ( -0.049 0.223 5.764) 5.768 52.501 ( -1.356 10.227 -1.970) 10.503 52.869 ( -15.394 9.353 -3.081) 18.274 53.059 ( -7.851 5.747 2.336) 10.006 53.306 ( -3.010 -3.246 0.785) 4.496 53.370 ( -2.210 -5.054 -0.045) 5.517 53.613 ( -2.052 -4.908 -4.968) 7.279 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 24.939 14.274 4.780) 29.130 1.682 ( 21.962 14.405 14.788) 30.141 1.810 ( 13.161 6.909 5.266) 15.769 2.329 ( -0.719 -2.819 -15.906) 16.170 2.511 ( 3.635 1.715 -9.417) 10.239 2.626 ( 3.454 0.158 0.252) 3.467 2.762 ( 9.202 -7.127 2.437) 11.891 2.815 ( 1.593 -1.783 -1.735) 2.954 3.001 ( 10.249 -2.272 -4.571) 11.450 3.017 ( 21.781 21.320 10.437) 32.216 3.126 ( -6.339 -3.459 -2.012) 7.496 3.220 ( 6.129 -4.619 0.473) 7.689 3.334 ( -3.485 -3.395 2.424) 5.436 3.381 ( -3.342 -0.402 1.361) 3.631 3.452 ( 4.605 3.250 2.660) 6.233 3.515 ( -6.984 0.729 -2.239) 7.370 3.537 ( 2.091 -4.253 1.430) 4.951 3.585 ( 1.562 -3.049 -0.993) 3.567 3.608 ( 2.015 -0.929 -1.386) 2.616 3.690 ( 3.119 -2.786 -1.199) 4.350 3.742 ( -0.603 -4.786 -0.507) 4.851 3.828 ( -0.155 2.521 -4.722) 5.355 4.021 ( -2.644 -1.052 -1.870) 3.405 4.116 ( 2.168 0.853 2.291) 3.268 4.215 ( 5.785 -1.172 2.647) 6.469 4.306 ( 0.777 -4.008 4.394) 5.998 4.343 ( 0.476 -4.622 2.461) 5.258 4.402 ( 1.120 -4.059 -2.125) 4.716 4.444 ( 11.844 4.709 2.177) 12.931 4.517 ( -1.242 -5.646 -1.077) 5.880 4.674 ( -1.592 4.385 10.607) 11.588 4.731 ( -1.526 -1.024 5.243) 5.556 4.814 ( 2.522 -1.749 3.113) 4.371 4.967 ( -2.750 1.162 -2.716) 4.036 4.988 ( -3.423 1.049 9.390) 10.049 5.156 ( 3.633 3.879 -3.094) 6.149 5.237 ( -0.298 4.758 5.398) 7.202 5.288 ( 3.603 0.165 -6.457) 7.397 5.322 ( -0.804 -6.406 -0.677) 6.491 5.405 ( -5.037 7.457 0.872) 9.041 5.580 ( -1.639 0.730 -5.317) 5.612 5.648 ( 0.296 0.827 -0.439) 0.982 5.729 ( 4.993 7.742 5.035) 10.499 5.813 ( 5.674 -4.033 2.558) 7.416 5.926 ( -0.223 8.414 -1.774) 8.602 5.954 ( -4.867 -0.899 -2.952) 5.763 5.980 ( -0.531 12.158 3.045) 12.545 6.027 ( 0.316 10.692 1.790) 10.845 6.102 ( -2.760 -4.620 2.828) 6.079 6.206 ( 4.677 -1.765 4.867) 6.977 6.378 ( -7.228 3.277 0.153) 7.937 6.477 ( -2.515 4.198 -0.880) 4.973 6.543 ( -4.592 3.430 -3.344) 6.636 6.669 ( -1.756 -9.756 -0.015) 9.912 6.840 ( -1.957 1.261 0.375) 2.358 7.031 ( 5.912 10.643 -6.489) 13.796 7.162 ( -2.899 6.721 -6.770) 9.971 7.194 ( 2.721 -7.550 2.641) 8.449 7.373 ( 0.879 -0.916 1.390) 1.882 7.475 ( -4.203 -9.420 2.398) 10.590 7.494 ( -1.261 2.783 3.531) 4.670 7.771 ( 4.988 2.535 2.494) 6.126 7.832 ( 15.901 6.535 -5.380) 18.014 8.055 ( 0.134 5.745 9.023) 10.697 8.157 ( 6.978 -3.747 -5.763) 9.795 8.587 ( -22.020 4.080 8.272) 23.873 8.702 ( 1.933 -4.137 14.224) 14.939 9.039 ( -1.129 -12.442 -15.365) 19.803 9.140 ( -4.852 -10.466 -2.295) 11.762 9.422 ( -4.046 -7.825 -2.589) 9.182 9.678 ( -0.701 2.969 -2.304) 3.824 9.846 ( -5.444 -3.665 -3.722) 7.545 9.883 ( -2.896 1.651 -2.536) 4.188 9.992 ( -2.445 -3.926 -5.839) 7.449 10.193 ( -1.676 -7.167 -7.035) 10.182 10.224 ( -2.389 -7.808 -3.157) 8.755 10.432 ( -1.344 -7.472 1.078) 7.668 10.734 ( 4.102 -8.623 5.728) 11.135 10.863 ( 4.205 -0.765 2.685) 5.047 11.014 ( -0.558 1.276 -8.028) 8.148 11.309 ( 3.932 8.303 -5.385) 10.649 11.380 ( 2.270 6.701 6.181) 9.395 11.579 ( -3.779 9.849 -4.046) 11.298 11.648 ( -8.347 5.118 3.233) 10.311 11.766 ( -4.370 2.803 13.246) 14.227 12.171 ( -7.934 0.722 2.172) 8.258 12.344 ( 5.250 1.886 -2.057) 5.946 12.663 ( -1.638 -8.383 -11.619) 14.421 12.841 ( 3.893 -1.703 2.278) 4.821 12.948 ( 7.109 -6.525 1.266) 9.732 13.023 ( 4.219 3.049 1.315) 5.369 13.197 ( 2.158 0.543 -5.481) 5.916 13.371 ( 6.007 2.016 -9.207) 11.177 13.552 ( -2.061 -2.058 4.265) 5.164 13.593 ( -4.042 -6.452 -5.406) 9.337 13.691 ( -2.882 -3.687 -3.446) 5.811 13.950 ( 2.715 -2.808 8.675) 9.514 14.133 ( 1.757 5.607 0.675) 5.914 14.279 ( 1.457 -2.008 1.183) 2.748 14.361 ( 1.044 -2.352 5.647) 6.205 14.420 ( -4.856 8.611 4.575) 10.893 14.543 ( -2.813 0.421 0.545) 2.896 14.588 ( -0.946 1.972 2.534) 3.347 14.754 ( -3.254 6.451 7.673) 10.540 14.953 ( 0.048 -0.760 1.117) 1.352 15.258 ( -5.110 8.013 -2.365) 9.794 15.269 ( -1.749 -0.931 0.213) 1.993 15.528 ( -3.311 -2.599 -9.026) 9.959 15.615 ( 4.001 1.175 3.232) 5.275 15.781 ( -0.437 -2.264 0.746) 2.423 15.867 ( -2.016 -2.245 1.742) 3.484 16.209 ( -10.122 -5.693 -5.156) 12.706 17.974 ( 11.385 0.220 0.742) 11.412 18.020 ( 11.999 -0.265 1.170) 12.059 18.111 ( 13.666 -0.054 -1.640) 13.764 18.464 ( 12.252 -8.605 -13.707) 20.299 18.645 ( -1.386 -0.126 0.217) 1.408 18.667 ( -1.813 1.120 -0.319) 2.155 18.719 ( -1.571 -1.191 1.449) 2.446 18.861 ( 0.122 -2.655 -0.001) 2.658 18.924 ( 2.643 0.174 1.118) 2.875 18.998 ( 0.880 -1.186 3.447) 3.750 19.111 ( 0.200 1.122 0.088) 1.143 19.220 ( 0.633 0.563 -1.642) 1.848 19.265 ( 0.384 2.546 1.212) 2.846 19.328 ( -1.004 2.373 1.010) 2.767 19.554 ( -3.817 -2.952 1.812) 5.155 19.627 ( -7.053 -0.396 1.584) 7.239 31.813 ( 0.250 1.259 -1.127) 1.709 31.835 ( -0.039 0.875 -1.058) 1.373 31.848 ( -0.603 0.809 -0.027) 1.009 31.887 ( -0.945 0.156 -1.367) 1.669 31.935 ( 0.730 0.958 2.537) 2.808 31.971 ( 0.303 -0.543 1.198) 1.350 32.009 ( -0.503 0.055 1.382) 1.472 32.022 ( -0.851 0.150 0.804) 1.180 52.307 ( 1.019 4.580 0.338) 4.704 52.360 ( -0.163 1.665 4.628) 4.921 52.459 ( -3.071 11.342 -2.499) 12.013 52.592 ( -9.716 9.771 6.282) 15.144 53.033 ( 1.155 0.581 -2.002) 2.383 53.244 ( -3.108 -3.346 -2.158) 5.051 53.317 ( -3.268 -5.359 1.705) 6.504 53.500 ( -8.451 -5.952 -2.144) 10.557 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 16.845 3.091 3.280) 17.438 2.064 ( 17.018 5.168 2.991) 18.035 2.075 ( 17.424 3.831 2.382) 17.998 2.374 ( 6.681 -0.395 -9.105) 11.300 2.560 ( 1.050 3.147 -8.880) 9.480 2.675 ( 4.169 -2.959 3.057) 5.956 2.759 ( -1.124 -2.330 -0.213) 2.596 2.944 ( -4.636 -2.474 -2.814) 5.961 3.001 ( -1.664 -3.430 -3.305) 5.045 3.132 ( -9.123 -1.560 2.101) 9.490 3.179 ( 2.869 -4.482 -1.529) 5.536 3.231 ( -6.293 -5.457 0.585) 8.350 3.306 ( 4.860 3.224 -3.077) 6.594 3.383 ( 0.099 -1.458 1.240) 1.917 3.405 ( 7.443 3.334 3.560) 8.898 3.525 ( -2.237 -1.855 0.344) 2.926 3.551 ( 0.544 1.380 1.741) 2.287 3.591 ( -0.662 0.598 -2.404) 2.564 3.644 ( 0.450 2.384 -0.641) 2.509 3.694 ( -3.313 0.409 2.122) 3.956 3.712 ( -2.003 0.072 2.669) 3.338 3.800 ( -6.099 0.373 2.343) 6.544 3.973 ( 5.450 2.854 -7.250) 9.509 4.239 ( -5.278 -5.066 -2.176) 7.633 4.292 ( 4.345 -2.023 5.498) 7.294 4.337 ( 10.944 5.735 6.884) 14.144 4.414 ( 4.668 -1.457 5.349) 7.247 4.450 ( 7.186 -6.434 3.715) 10.336 4.512 ( 3.260 0.955 6.540) 7.370 4.642 ( 0.721 -1.437 0.255) 1.628 4.716 ( 4.005 -0.245 -0.784) 4.088 4.766 ( 3.558 -1.506 2.270) 4.481 4.844 ( 2.680 -2.160 6.152) 7.049 4.877 ( -1.385 5.379 3.366) 6.495 5.077 ( 5.573 1.079 -5.996) 8.257 5.162 ( -3.529 1.773 2.787) 4.834 5.223 ( -1.088 0.967 2.933) 3.275 5.279 ( 2.457 2.654 -0.054) 3.617 5.337 ( -0.806 3.571 -2.396) 4.375 5.398 ( 6.053 6.379 3.167) 9.347 5.621 ( -1.312 6.168 2.207) 6.681 5.683 ( 7.078 -6.761 -7.818) 12.527 5.757 ( 0.083 9.902 -1.132) 9.967 5.841 ( -3.102 -2.153 -1.861) 4.209 5.902 ( -0.275 3.764 -2.686) 4.633 5.919 ( -0.523 6.233 2.831) 6.866 5.960 ( -3.987 3.595 2.412) 5.885 6.057 ( 1.054 1.013 -0.907) 1.721 6.111 ( 4.104 4.616 -0.086) 6.177 6.242 ( -0.498 5.217 2.991) 6.034 6.283 ( -1.202 6.572 2.244) 7.048 6.391 ( -9.232 1.204 -1.885) 9.500 6.503 ( 2.918 -0.915 3.530) 4.671 6.623 ( -4.239 2.618 -6.099) 7.876 6.836 ( 3.462 -1.502 5.896) 7.000 7.028 ( -6.532 11.001 -8.231) 15.213 7.112 ( -0.851 9.464 -0.487) 9.514 7.238 ( 2.502 -5.005 1.571) 5.812 7.324 ( -4.144 -3.176 -2.685) 5.870 7.417 ( 0.635 -9.992 1.701) 10.156 7.549 ( 3.187 -2.577 8.414) 9.360 7.818 ( 0.021 -0.160 3.906) 3.909 7.974 ( -15.499 -1.141 11.347) 19.242 8.067 ( -1.602 11.300 9.396) 14.783 8.263 ( 20.949 0.017 -10.166) 23.286 8.437 ( 3.857 -4.376 -6.566) 8.783 8.747 ( 1.708 -9.720 11.582) 15.216 8.964 ( -8.777 -6.535 -7.980) 13.543 9.056 ( 1.620 -10.210 -15.933) 18.993 9.353 ( -5.826 -10.878 -12.808) 17.786 9.634 ( -2.277 -6.161 -1.879) 6.832 9.753 ( -3.158 -4.405 -3.004) 6.196 9.856 ( 0.359 2.241 1.113) 2.528 9.968 ( -2.019 -3.863 -6.240) 7.612 10.106 ( -2.863 -8.372 -10.948) 14.077 10.224 ( -2.412 -2.320 -3.890) 5.132 10.423 ( 2.436 3.014 8.853) 9.664 10.709 ( -7.487 0.957 8.343) 11.251 10.919 ( 2.111 -8.807 11.290) 14.473 10.984 ( -1.091 -5.856 -3.365) 6.842 11.334 ( 0.063 14.698 -3.918) 15.212 11.416 ( -0.027 9.868 0.759) 9.897 11.461 ( -3.375 7.077 3.647) 8.647 11.571 ( -2.566 4.361 -0.226) 5.065 11.774 ( 4.448 4.792 9.975) 11.927 12.029 ( -7.098 3.865 3.918) 8.982 12.458 ( 5.943 -0.106 -5.050) 7.800 12.625 ( -2.624 -5.777 -9.800) 11.675 12.916 ( 3.595 -3.956 2.016) 5.713 13.009 ( -0.748 -6.893 3.018) 7.562 13.124 ( 7.201 -0.566 1.995) 7.494 13.273 ( 5.007 0.613 -5.734) 7.637 13.385 ( -3.510 3.583 -0.654) 5.058 13.497 ( -5.558 -8.757 -4.010) 11.120 13.562 ( 2.353 -2.523 -7.930) 8.648 13.643 ( -2.133 -4.223 -6.824) 8.304 14.022 ( 4.546 0.706 10.155) 11.149 14.151 ( -0.231 4.899 4.779) 6.848 14.275 ( -1.397 6.156 2.042) 6.634 14.330 ( -4.610 5.502 3.211) 7.864 14.392 ( 2.548 -4.995 5.879) 8.124 14.486 ( -2.451 -1.988 1.151) 3.359 14.612 ( 2.419 -0.865 0.257) 2.581 14.706 ( -2.236 2.626 1.489) 3.757 14.981 ( 2.664 2.853 1.060) 4.045 15.147 ( -5.686 8.014 -1.161) 9.895 15.283 ( 2.675 -1.758 -2.965) 4.363 15.452 ( -4.498 -1.524 -9.253) 10.400 15.692 ( 3.961 0.086 3.568) 5.331 15.799 ( 2.228 -1.837 0.930) 3.034 15.821 ( -2.660 -1.459 1.909) 3.584 16.019 ( -9.265 -4.607 -1.728) 10.491 18.197 ( 11.459 0.217 0.611) 11.478 18.250 ( 11.703 0.306 0.582) 11.721 18.355 ( 11.346 -0.338 -1.620) 11.466 18.525 ( -4.351 0.199 -1.483) 4.601 18.600 ( -4.810 1.808 -0.524) 5.165 18.662 ( -3.151 -2.115 0.724) 3.863 18.705 ( 4.911 -6.161 -7.071) 10.586 18.847 ( -1.615 -3.711 -1.484) 4.311 18.966 ( 1.607 2.241 1.789) 3.287 19.004 ( -0.370 2.403 1.359) 2.785 19.139 ( 2.645 -0.524 1.592) 3.131 19.222 ( -0.644 0.973 -1.787) 2.134 19.279 ( 0.967 1.927 1.254) 2.494 19.313 ( -0.424 -1.929 3.230) 3.786 19.487 ( -2.870 -1.673 0.249) 3.331 19.513 ( -4.635 0.861 -0.080) 4.715 31.820 ( 0.361 0.937 -1.180) 1.549 31.833 ( -0.322 0.744 -0.763) 1.113 31.844 ( 0.299 0.529 -1.317) 1.450 31.870 ( -0.871 0.231 -1.660) 1.889 31.948 ( 0.681 0.611 2.512) 2.673 31.971 ( -0.323 -0.328 1.855) 1.911 32.000 ( -0.325 0.212 1.038) 1.108 32.008 ( -0.567 -0.088 1.229) 1.356 52.326 ( 0.846 5.435 0.820) 5.561 52.356 ( -0.458 5.530 2.167) 5.957 52.405 ( -1.315 7.478 0.256) 7.597 52.479 ( -3.694 5.505 2.107) 6.957 53.079 ( 3.734 -1.692 -0.960) 4.210 53.203 ( -0.994 -3.639 -2.253) 4.394 53.254 ( -3.227 -5.077 1.038) 6.105 53.330 ( -8.828 -5.470 -0.420) 10.394 ======================= Grid point 58 (25/45) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -2.960 -3.272 0.501) 4.440 2.182 ( 2.960 -3.272 0.501) 4.440 2.425 ( -12.223 6.620 -4.960) 14.759 2.425 ( 12.223 6.620 -4.960) 14.759 2.668 ( -12.971 -8.970 -1.786) 15.872 2.668 ( 12.971 -8.970 -1.786) 15.872 2.819 ( -9.714 1.067 -1.273) 9.855 2.819 ( 9.714 1.067 -1.273) 9.855 2.885 ( -5.131 3.081 1.351) 6.136 2.885 ( 5.131 3.081 1.351) 6.136 3.247 ( -2.345 -5.960 -0.096) 6.406 3.247 ( 2.345 -5.960 -0.096) 6.406 3.403 ( -4.149 0.393 1.719) 4.509 3.403 ( 4.149 0.393 1.719) 4.509 3.445 ( -2.908 -1.891 -2.635) 4.356 3.445 ( 2.908 -1.891 -2.635) 4.356 3.586 ( -4.283 6.594 0.991) 7.925 3.586 ( 4.283 6.594 0.991) 7.925 3.628 ( -5.578 1.543 0.176) 5.790 3.628 ( 5.578 1.543 0.176) 5.790 3.712 ( -2.868 0.641 3.785) 4.792 3.712 ( 2.868 0.641 3.785) 4.792 4.110 ( -7.874 -5.003 -9.211) 13.110 4.110 ( 7.874 -5.003 -9.211) 13.110 4.326 ( -2.068 -2.998 8.673) 9.407 4.326 ( 2.068 -2.998 8.673) 9.407 4.542 ( -1.292 -3.224 6.873) 7.701 4.542 ( 1.292 -3.224 6.873) 7.701 4.641 ( -3.716 1.885 1.702) 4.501 4.641 ( 3.716 1.885 1.702) 4.501 4.759 ( -4.794 0.378 1.405) 5.010 4.759 ( 4.794 0.378 1.405) 5.010 4.933 ( -6.374 -0.598 3.550) 7.321 4.933 ( 6.374 -0.598 3.550) 7.321 5.023 ( -8.344 6.844 -0.299) 10.796 5.023 ( 8.344 6.844 -0.299) 10.796 5.309 ( -2.122 6.808 -0.517) 7.150 5.309 ( 2.122 6.808 -0.517) 7.150 5.447 ( -8.902 1.016 4.677) 10.107 5.447 ( 8.902 1.015 4.677) 10.107 5.604 ( -10.062 3.997 -0.775) 10.855 5.604 ( 10.062 3.997 -0.775) 10.855 5.831 ( -4.740 -4.258 -0.760) 6.417 5.831 ( 4.740 -4.258 -0.760) 6.417 5.899 ( -3.115 11.468 -0.513) 11.895 5.899 ( 3.115 11.468 -0.513) 11.895 6.009 ( -8.769 -4.243 -5.044) 10.970 6.009 ( 8.769 -4.243 -5.044) 10.970 6.159 ( -4.122 6.756 1.753) 8.106 6.159 ( 4.122 6.756 1.753) 8.106 6.293 ( -4.169 4.374 1.061) 6.135 6.293 ( 4.169 4.374 1.061) 6.135 6.551 ( -2.502 1.964 -1.256) 3.420 6.551 ( 2.502 1.964 -1.256) 3.420 6.970 ( -4.850 10.493 -5.215) 12.682 6.970 ( 4.850 10.493 -5.215) 12.682 7.108 ( -8.182 -5.435 1.194) 9.895 7.108 ( 8.182 -5.435 1.194) 9.895 7.383 ( -4.476 -4.976 -1.287) 6.815 7.383 ( 4.476 -4.976 -1.287) 6.815 7.634 ( -7.714 -0.526 14.406) 16.350 7.634 ( 7.714 -0.526 14.406) 16.350 7.996 ( -6.458 7.300 8.685) 13.055 7.996 ( 6.458 7.300 8.685) 13.055 8.483 ( -1.650 -8.583 -8.169) 11.963 8.483 ( 1.650 -8.583 -8.169) 11.963 8.812 ( -6.501 -7.223 -0.821) 9.752 8.812 ( 6.501 -7.223 -0.821) 9.752 9.182 ( -10.480 -8.897 -17.446) 22.211 9.182 ( 10.480 -8.897 -17.446) 22.211 9.666 ( -4.910 -8.736 -3.116) 10.494 9.666 ( 4.910 -8.736 -3.116) 10.494 9.903 ( -3.697 -2.214 -3.309) 5.433 9.903 ( 3.697 -2.214 -3.309) 5.433 10.136 ( -4.776 -2.122 -8.429) 9.918 10.136 ( 4.776 -2.122 -8.429) 9.918 10.536 ( -8.599 6.475 13.822) 17.520 10.536 ( 8.599 6.475 13.822) 17.520 10.958 ( -1.818 -10.234 6.092) 12.048 10.958 ( 1.818 -10.234 6.092) 12.048 11.352 ( -2.516 13.475 -0.652) 13.723 11.352 ( 2.516 13.475 -0.652) 13.723 11.511 ( -3.889 4.938 0.191) 6.289 11.511 ( 3.889 4.938 0.191) 6.289 11.892 ( -7.170 5.176 6.163) 10.779 11.892 ( 7.170 5.176 6.163) 10.779 12.558 ( -4.442 -2.532 -7.637) 9.191 12.558 ( 4.442 -2.532 -7.637) 9.191 12.973 ( -2.517 -5.768 3.284) 7.098 12.973 ( 2.517 -5.768 3.284) 7.098 13.261 ( -6.632 1.184 0.041) 6.737 13.261 ( 6.632 1.184 0.041) 6.737 13.393 ( -5.231 -4.894 -3.903) 8.158 13.393 ( 5.231 -4.894 -3.903) 8.158 13.605 ( -2.028 -3.289 -8.408) 9.254 13.605 ( 2.028 -3.289 -8.408) 9.254 14.109 ( -4.080 2.421 9.203) 10.354 14.109 ( 4.080 2.421 9.203) 10.354 14.269 ( -1.354 6.924 2.002) 7.334 14.269 ( 1.354 6.924 2.002) 7.334 14.442 ( -2.434 -3.960 3.040) 5.554 14.442 ( 2.434 -3.960 3.040) 5.554 14.661 ( -2.555 -0.263 -0.550) 2.627 14.661 ( 2.555 -0.263 -0.550) 2.627 15.049 ( -4.438 5.678 0.211) 7.210 15.049 ( 4.438 5.678 0.211) 7.210 15.360 ( -4.885 -1.147 -7.137) 8.724 15.360 ( 4.885 -1.147 -7.137) 8.724 15.763 ( -3.408 -0.704 2.768) 4.447 15.763 ( 3.408 -0.704 2.768) 4.447 15.874 ( -5.762 -3.011 0.474) 6.518 15.874 ( 5.762 -3.011 0.474) 6.518 18.392 ( -8.582 0.335 0.144) 8.590 18.392 ( 8.582 0.335 0.144) 8.590 18.444 ( -7.086 1.095 -1.033) 7.244 18.444 ( 7.086 1.095 -1.033) 7.244 18.562 ( -6.026 -1.070 0.874) 6.183 18.562 ( 6.026 -1.070 0.874) 6.183 18.796 ( -3.785 -5.093 -5.109) 8.146 18.796 ( 3.785 -5.093 -5.109) 8.146 18.990 ( -0.999 3.933 2.278) 4.654 18.990 ( 0.999 3.933 2.278) 4.654 19.192 ( -2.442 -0.787 -0.593) 2.633 19.192 ( 2.442 -0.787 -0.593) 2.633 19.301 ( -1.145 -0.588 3.373) 3.610 19.301 ( 1.145 -0.588 3.373) 3.610 19.461 ( -0.623 0.099 -1.078) 1.249 19.461 ( 0.623 0.099 -1.078) 1.249 31.826 ( -0.337 0.774 -0.983) 1.296 31.826 ( 0.337 0.774 -0.983) 1.296 31.855 ( -0.724 0.338 -1.694) 1.873 31.855 ( 0.724 0.338 -1.694) 1.873 31.961 ( -0.679 0.208 2.251) 2.360 31.961 ( 0.679 0.208 2.251) 2.360 32.000 ( -0.277 -0.050 1.167) 1.200 32.000 ( 0.277 -0.050 1.167) 1.200 52.340 ( -0.812 6.655 1.701) 6.917 52.340 ( 0.812 6.655 1.701) 6.917 52.423 ( -2.333 4.699 0.100) 5.247 52.423 ( 2.333 4.699 0.100) 5.247 53.176 ( -6.282 -4.067 -0.070) 7.484 53.176 ( 6.282 -4.067 -0.070) 7.484 53.210 ( -1.886 -4.176 -0.705) 4.636 53.210 ( 1.886 -4.176 -0.705) 4.636 ======================= Grid point 63 (26/45) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 25.147 15.279) 29.425 1.662 ( 0.000 35.155 -2.390) 35.236 1.878 ( 0.000 20.828 -0.769) 20.842 1.949 ( 0.000 -21.974 9.732) 24.033 2.308 ( 0.000 -19.684 -12.145) 23.129 2.315 ( 0.000 -24.618 -18.281) 30.663 2.636 ( 0.000 8.006 -14.960) 16.967 2.764 ( 0.000 -3.489 -10.661) 11.218 2.785 ( 0.000 2.365 2.586) 3.504 2.930 ( 0.000 -7.207 3.577) 8.046 3.214 ( 0.000 29.634 17.242) 34.285 3.237 ( 0.000 2.198 -0.181) 2.206 3.305 ( 0.000 -2.774 -3.762) 4.674 3.344 ( 0.000 8.330 4.597) 9.514 3.442 ( 0.000 -0.336 -0.053) 0.340 3.461 ( 0.000 -2.280 -0.149) 2.285 3.486 ( 0.000 6.492 4.347) 7.813 3.493 ( 0.000 -2.018 -0.184) 2.026 3.537 ( 0.000 -4.917 -9.434) 10.638 3.584 ( 0.000 0.730 -3.409) 3.487 3.703 ( 0.000 -0.432 -4.076) 4.099 3.812 ( 0.000 -8.377 4.779) 9.644 3.956 ( 0.000 4.114 3.778) 5.586 3.995 ( 0.000 2.275 8.363) 8.667 4.066 ( 0.000 1.324 -4.006) 4.220 4.075 ( 0.000 4.080 -1.146) 4.238 4.255 ( 0.000 -1.953 -3.766) 4.242 4.359 ( 0.000 -5.084 -2.793) 5.801 4.471 ( 0.000 -8.592 -4.268) 9.594 4.605 ( 0.000 -11.500 9.500) 14.916 4.710 ( 0.000 2.427 9.215) 9.529 4.780 ( 0.000 -7.033 -0.666) 7.064 4.857 ( 0.000 -0.297 6.745) 6.751 4.884 ( 0.000 0.138 2.158) 2.162 4.933 ( 0.000 -1.590 21.575) 21.633 4.977 ( 0.000 -2.878 10.301) 10.696 5.324 ( 0.000 7.944 7.452) 10.892 5.364 ( 0.000 6.067 -1.092) 6.164 5.487 ( 0.000 -5.113 7.475) 9.056 5.495 ( 0.000 -3.555 -3.718) 5.144 5.503 ( 0.000 -1.123 7.072) 7.161 5.564 ( 0.000 -5.088 6.101) 7.944 5.674 ( 0.000 5.152 -3.324) 6.131 5.800 ( 0.000 -6.837 2.700) 7.351 5.935 ( 0.000 9.609 2.786) 10.005 6.017 ( 0.000 12.026 -6.700) 13.766 6.128 ( 0.000 1.489 -8.050) 8.186 6.224 ( 0.000 -6.317 0.725) 6.358 6.230 ( 0.000 -3.015 2.402) 3.855 6.330 ( 0.000 -7.221 -15.365) 16.977 6.443 ( 0.000 6.779 0.662) 6.812 6.490 ( 0.000 10.876 -1.214) 10.944 6.535 ( 0.000 -1.883 -6.615) 6.877 6.724 ( 0.000 -2.447 9.810) 10.111 6.764 ( 0.000 -5.012 -2.510) 5.606 6.918 ( 0.000 -6.843 2.660) 7.342 7.124 ( 0.000 -1.627 -1.113) 1.972 7.128 ( 0.000 -0.427 8.222) 8.233 7.305 ( 0.000 20.920 -31.120) 37.498 7.556 ( 0.000 8.399 -0.520) 8.415 7.587 ( 0.000 -8.583 -16.426) 18.533 7.780 ( 0.000 -9.280 -4.007) 10.108 7.816 ( 0.000 12.326 0.044) 12.326 8.166 ( 0.000 -19.806 -1.102) 19.837 8.374 ( 0.000 15.371 12.087) 19.554 8.594 ( 0.000 17.710 9.570) 20.130 8.685 ( 0.000 -14.318 4.856) 15.119 8.852 ( 0.000 -9.029 0.691) 9.055 9.418 ( 0.000 0.447 9.698) 9.708 9.441 ( 0.000 -4.313 10.816) 11.644 9.794 ( 0.000 11.631 -3.243) 12.074 9.908 ( 0.000 4.348 -2.447) 4.989 9.931 ( 0.000 4.496 -4.379) 6.275 9.988 ( 0.000 -3.055 -6.158) 6.874 10.089 ( 0.000 -11.857 -4.734) 12.767 10.096 ( 0.000 -14.720 -2.707) 14.967 10.235 ( 0.000 -2.391 5.870) 6.338 10.328 ( 0.000 -8.937 4.585) 10.044 10.844 ( 0.000 2.604 -12.713) 12.977 10.867 ( 0.000 0.070 -15.719) 15.719 11.171 ( 0.000 6.620 8.502) 10.776 11.254 ( 0.000 -1.132 10.935) 10.994 11.975 ( 0.000 1.579 3.960) 4.263 11.982 ( 0.000 4.881 -5.484) 7.342 12.108 ( 0.000 8.873 -2.900) 9.335 12.159 ( 0.000 3.711 -3.539) 5.127 12.404 ( 0.000 -1.352 0.590) 1.475 12.528 ( 0.000 -9.095 -11.929) 15.000 12.752 ( 0.000 0.851 2.279) 2.432 12.834 ( 0.000 -6.375 2.206) 6.746 13.060 ( 0.000 5.202 -13.370) 14.346 13.139 ( 0.000 -2.911 -11.339) 11.707 13.165 ( 0.000 20.679 6.490) 21.673 13.527 ( 0.000 -10.723 1.970) 10.903 13.629 ( 0.000 0.428 4.603) 4.623 13.706 ( 0.000 -9.893 8.216) 12.860 13.778 ( 0.000 5.230 6.479) 8.326 13.941 ( 0.000 -10.104 9.806) 14.080 14.271 ( 0.000 1.445 -6.072) 6.242 14.277 ( 0.000 0.461 -2.024) 2.076 14.632 ( 0.000 7.415 6.662) 9.969 14.752 ( 0.000 1.656 2.954) 3.386 14.784 ( 0.000 4.076 4.708) 6.227 14.880 ( 0.000 -10.312 7.639) 12.833 14.998 ( 0.000 8.190 7.260) 10.945 15.181 ( 0.000 -8.418 3.662) 9.181 15.399 ( 0.000 1.661 -0.227) 1.677 15.498 ( 0.000 -6.650 -4.920) 8.272 15.736 ( 0.000 2.653 -2.394) 3.574 15.819 ( 0.000 -4.657 -0.605) 4.697 15.986 ( 0.000 16.628 -13.142) 21.194 16.276 ( 0.000 -11.366 -11.289) 16.020 17.725 ( 0.000 0.444 0.548) 0.706 17.732 ( 0.000 -0.226 0.513) 0.561 17.775 ( 0.000 0.026 -0.548) 0.549 17.777 ( 0.000 -0.162 -0.892) 0.906 18.672 ( 0.000 0.746 2.378) 2.493 18.691 ( 0.000 -1.044 1.944) 2.207 18.772 ( 0.000 1.321 -1.061) 1.695 18.794 ( 0.000 -0.814 -1.377) 1.600 18.886 ( 0.000 0.696 3.552) 3.619 18.911 ( 0.000 -1.880 4.749) 5.108 19.147 ( 0.000 1.811 -3.351) 3.809 19.184 ( 0.000 -1.553 -3.000) 3.378 19.386 ( 0.000 7.016 2.910) 7.595 19.513 ( 0.000 8.712 -0.431) 8.722 19.532 ( 0.000 -6.766 3.505) 7.620 19.690 ( 0.000 -8.335 0.167) 8.336 31.847 ( 0.000 1.455 -0.162) 1.464 31.868 ( 0.000 1.254 0.050) 1.255 31.870 ( 0.000 -0.810 0.589) 1.001 31.901 ( 0.000 -1.976 -0.768) 2.120 31.953 ( 0.000 2.954 2.133) 3.644 31.988 ( 0.000 2.710 1.078) 2.917 31.999 ( 0.000 -1.536 1.871) 2.421 32.032 ( 0.000 -1.354 0.858) 1.602 52.340 ( 0.000 1.373 5.425) 5.596 52.356 ( 0.000 -0.449 6.274) 6.291 52.750 ( 0.000 12.524 -1.740) 12.645 52.957 ( 0.000 -5.132 -8.447) 9.883 53.190 ( 0.000 -1.902 3.930) 4.366 53.250 ( 0.000 -5.532 -2.360) 6.014 53.493 ( 0.000 2.344 -7.574) 7.928 53.530 ( 0.000 -1.351 -4.604) 4.798 ======================= Grid point 64 (27/45) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 18.577 21.835 12.085) 31.111 1.737 ( 7.546 29.943 -3.197) 31.044 1.913 ( 4.578 17.810 0.291) 18.392 2.111 ( 13.579 -17.017 6.654) 22.764 2.288 ( 0.596 -13.699 -9.967) 16.952 2.346 ( 3.553 -21.934 -17.467) 28.264 2.692 ( -2.848 1.266 -0.296) 3.131 2.744 ( 5.374 -1.132 -6.053) 8.173 2.819 ( -1.070 2.027 -1.989) 3.035 2.911 ( 2.803 -7.141 -3.814) 8.567 3.223 ( -1.298 12.532 1.235) 12.660 3.275 ( 3.282 1.400 -1.061) 3.723 3.305 ( 5.065 8.139 9.538) 13.523 3.383 ( 1.724 2.918 0.212) 3.396 3.445 ( -0.314 -2.507 0.931) 2.693 3.467 ( -0.532 -4.444 -0.957) 4.577 3.489 ( 2.352 3.193 -1.060) 4.105 3.533 ( 3.614 5.020 -4.793) 7.825 3.549 ( 2.175 -2.894 1.114) 3.787 3.642 ( 3.847 -0.032 -0.757) 3.921 3.719 ( -1.192 2.823 -3.998) 5.038 3.832 ( 3.845 -9.904 0.713) 10.648 3.925 ( -0.921 4.611 2.849) 5.498 4.005 ( -0.105 -1.766 9.136) 9.305 4.105 ( 4.554 5.259 -4.644) 8.364 4.186 ( 6.653 -1.146 -4.392) 8.054 4.270 ( 0.703 2.402 -3.725) 4.488 4.340 ( 0.295 0.204 1.628) 1.667 4.420 ( -2.552 -6.296 -2.879) 7.379 4.593 ( -3.264 -6.997 3.164) 8.344 4.656 ( -2.814 -2.133 10.872) 11.431 4.687 ( -0.820 -2.711 15.117) 15.380 4.872 ( -0.512 3.608 2.156) 4.234 4.974 ( 2.660 -6.100 7.254) 9.844 5.016 ( 7.184 2.464 8.999) 11.776 5.082 ( 9.456 -3.297 3.579) 10.635 5.268 ( -6.491 6.496 3.820) 9.946 5.301 ( -3.007 5.978 0.554) 6.715 5.438 ( -3.500 -0.905 -2.882) 4.624 5.510 ( 0.065 -4.243 10.498) 11.323 5.531 ( 0.099 -3.433 3.330) 4.784 5.592 ( 6.005 -6.863 9.031) 12.835 5.711 ( 1.677 5.211 0.324) 5.484 5.837 ( 1.127 -8.722 1.292) 8.889 5.854 ( -0.273 10.566 0.933) 10.610 6.042 ( -6.324 -5.716 -0.645) 8.549 6.111 ( 1.151 8.377 -8.047) 11.673 6.130 ( -1.657 5.253 -2.412) 6.014 6.245 ( -1.064 4.944 -1.918) 5.409 6.342 ( -5.838 5.922 -1.958) 8.543 6.404 ( -0.780 -5.775 0.155) 5.830 6.475 ( 0.991 -5.457 -0.721) 5.593 6.589 ( 5.424 2.862 -2.567) 6.648 6.635 ( -6.582 -3.337 2.431) 7.770 6.782 ( 1.996 3.212 -2.298) 4.425 6.965 ( 1.310 -9.722 1.378) 9.906 7.136 ( 3.966 3.448 4.538) 6.944 7.225 ( 6.352 -5.303 0.106) 8.275 7.325 ( 1.415 17.245 -26.406) 31.571 7.500 ( -4.238 2.048 -9.296) 10.420 7.597 ( -0.562 1.610 -4.572) 4.880 7.839 ( 3.105 9.897 0.588) 10.390 7.858 ( 6.816 -9.655 -8.114) 14.335 8.025 ( -8.308 -3.907 -3.348) 9.772 8.337 ( -10.738 11.524 13.082) 20.475 8.477 ( -0.615 -2.390 13.511) 13.735 8.810 ( 4.568 -4.684 -3.339) 7.345 8.867 ( 2.896 -9.690 2.536) 10.426 9.247 ( -16.463 9.099 8.496) 20.640 9.412 ( -5.323 -6.702 8.854) 12.315 9.756 ( -2.341 2.522 -3.221) 4.713 9.839 ( -4.132 -1.596 -3.339) 5.547 9.946 ( -2.458 -1.896 -4.807) 5.723 9.988 ( -7.335 -6.802 -3.369) 10.555 10.026 ( 3.885 -1.574 -7.078) 8.226 10.103 ( -0.938 -7.912 -5.823) 9.869 10.262 ( 3.394 0.104 7.121) 7.889 10.393 ( 5.430 -10.174 8.600) 14.386 10.902 ( 4.557 3.750 -13.826) 15.032 10.947 ( 6.881 -1.069 -12.375) 14.199 11.240 ( 6.697 6.143 6.252) 11.031 11.335 ( 6.610 -1.780 9.730) 11.897 11.857 ( -8.938 2.329 5.766) 10.889 11.893 ( -8.838 -0.737 5.020) 10.191 12.071 ( -2.006 16.935 -8.612) 19.105 12.235 ( 3.445 1.555 -5.041) 6.301 12.371 ( -2.613 -0.296 -1.405) 2.982 12.485 ( -3.359 -10.046 -11.176) 15.399 12.775 ( 2.335 -0.257 3.556) 4.262 12.815 ( -0.010 -2.380 3.448) 4.189 13.144 ( 0.796 9.423 -4.820) 10.615 13.164 ( 5.041 0.214 -9.635) 10.877 13.211 ( 6.439 6.737 -4.289) 10.259 13.499 ( -2.800 -10.156 1.714) 10.673 13.592 ( -3.590 -0.784 3.496) 5.072 13.643 ( -4.061 -6.889 3.788) 8.849 13.856 ( 5.784 3.416 8.950) 11.191 13.994 ( 5.046 -8.792 8.759) 13.397 14.272 ( 0.833 3.468 -3.818) 5.224 14.315 ( 3.021 -0.610 -3.198) 4.442 14.609 ( -2.473 6.068 5.242) 8.391 14.694 ( -4.881 1.553 2.581) 5.736 14.744 ( -5.650 3.438 5.597) 8.664 14.829 ( -3.994 -7.923 6.773) 11.162 14.999 ( 0.615 8.686 5.763) 10.442 15.175 ( -0.530 -7.778 3.473) 8.534 15.417 ( 1.149 0.811 -0.619) 1.537 15.488 ( -0.888 -5.243 -4.956) 7.269 15.737 ( 0.028 2.930 -2.467) 3.830 15.808 ( -1.334 -2.976 -1.201) 3.475 15.908 ( -6.093 14.920 -7.859) 17.930 16.199 ( -7.282 -11.732 -8.999) 16.482 17.797 ( 7.399 0.493 0.791) 7.457 17.809 ( 7.760 -0.613 0.929) 7.839 17.893 ( 11.485 2.031 -2.041) 11.841 17.962 ( 15.864 -5.053 -4.485) 17.243 18.677 ( 0.124 0.817 2.015) 2.178 18.692 ( 0.056 -0.527 1.714) 1.794 18.758 ( -1.382 1.592 -0.754) 2.239 18.797 ( 0.165 -2.016 -0.914) 2.220 18.899 ( 1.360 0.927 3.340) 3.723 18.926 ( 1.570 -1.807 4.374) 4.986 19.147 ( 0.053 2.006 -2.866) 3.499 19.188 ( 0.349 -1.670 -2.610) 3.118 19.377 ( -0.951 6.563 2.569) 7.112 19.487 ( -2.463 6.525 -0.058) 6.975 19.516 ( -1.627 -4.755 2.838) 5.772 19.651 ( -3.752 -7.199 0.203) 8.121 31.845 ( -0.237 1.326 -0.473) 1.428 31.856 ( -0.682 0.409 -0.034) 0.796 31.873 ( -0.150 0.339 0.032) 0.372 31.895 ( -0.579 -1.384 -1.138) 1.883 31.957 ( 0.346 2.383 2.328) 3.349 31.984 ( -0.333 1.887 1.462) 2.410 32.001 ( 0.093 -1.075 1.849) 2.140 32.026 ( -0.569 -1.322 0.915) 1.706 52.347 ( 0.776 1.512 4.940) 5.225 52.363 ( 0.766 -0.238 5.952) 6.006 52.732 ( -1.799 11.948 -1.855) 12.224 52.924 ( -4.096 -4.303 -7.463) 9.539 53.147 ( -4.163 1.659 0.981) 4.588 53.229 ( -2.138 -5.639 -0.925) 6.101 53.349 ( -9.673 6.374 -2.691) 11.893 53.493 ( -5.929 -6.662 -4.419) 9.953 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 10.962 14.210 -5.129) 18.665 1.933 ( 8.444 12.418 0.033) 15.017 2.115 ( 14.194 18.980 11.911) 26.525 2.276 ( 5.770 -2.618 -10.722) 12.454 2.415 ( 7.907 -11.399 -6.713) 15.412 2.503 ( 12.949 -15.492 0.302) 20.193 2.614 ( -2.574 0.786 2.872) 3.936 2.724 ( -1.053 -7.004 0.889) 7.138 2.935 ( 7.751 1.020 -7.667) 10.950 3.016 ( 6.361 -5.890 -7.143) 11.233 3.168 ( -3.311 2.497 -2.419) 4.801 3.282 ( -5.968 -6.248 -6.512) 10.819 3.315 ( -5.127 0.239 2.912) 5.901 3.384 ( -4.346 -4.564 -1.393) 6.454 3.439 ( 4.004 5.444 -3.683) 7.696 3.500 ( 2.827 -2.840 -2.002) 4.480 3.570 ( 4.278 0.561 -1.139) 4.462 3.598 ( 1.893 -1.265 -0.091) 2.278 3.647 ( -0.632 5.019 2.845) 5.804 3.670 ( 1.150 3.420 0.216) 3.615 3.750 ( 11.640 12.964 7.089) 18.810 3.902 ( -0.992 3.812 1.127) 4.097 3.980 ( 3.101 -2.842 -1.177) 4.367 4.032 ( 8.170 -9.333 2.312) 12.618 4.167 ( 4.517 0.209 -0.751) 4.583 4.216 ( 2.188 1.322 1.547) 2.988 4.285 ( -1.558 -4.846 1.259) 5.243 4.344 ( -3.835 -8.352 0.623) 9.211 4.477 ( 7.755 8.461 4.067) 12.176 4.585 ( 4.600 2.187 6.510) 8.266 4.641 ( 1.413 -1.450 8.187) 8.434 4.708 ( 2.063 -3.485 11.362) 12.063 4.887 ( 1.329 8.671 3.029) 9.280 5.018 ( 0.227 1.399 1.134) 1.815 5.086 ( -4.548 0.570 -1.021) 4.696 5.118 ( -0.054 -5.441 -0.594) 5.473 5.237 ( 7.775 10.426 3.682) 13.517 5.297 ( -1.856 5.349 4.157) 7.024 5.405 ( 0.952 -0.758 -6.213) 6.331 5.482 ( -0.567 3.119 8.411) 8.989 5.532 ( 1.653 -4.437 -2.588) 5.396 5.742 ( 2.249 6.072 0.938) 6.543 5.759 ( 7.665 -11.026 9.886) 16.675 5.839 ( 2.647 -4.948 4.206) 7.013 5.914 ( 1.120 0.958 1.306) 1.969 5.949 ( -3.048 -1.823 3.888) 5.266 6.045 ( -4.979 3.983 -3.640) 7.342 6.104 ( -0.431 -3.125 -2.191) 3.841 6.231 ( -2.418 4.272 2.332) 5.435 6.308 ( 4.061 14.886 2.355) 15.609 6.329 ( -4.039 -6.255 2.623) 7.894 6.516 ( 0.615 10.487 4.264) 11.338 6.597 ( 3.632 -4.521 -3.446) 6.745 6.675 ( 2.078 1.753 -4.886) 5.592 6.803 ( -0.377 1.376 -4.166) 4.403 6.951 ( -0.743 -10.741 0.958) 10.809 7.207 ( -1.575 -0.062 -3.865) 4.174 7.252 ( -4.627 -1.343 -6.858) 8.381 7.354 ( -0.204 1.993 -2.225) 2.994 7.406 ( -1.834 -0.168 -7.914) 8.125 7.590 ( 0.205 12.089 -4.586) 12.931 7.905 ( 1.235 -4.206 -4.662) 6.399 7.956 ( 1.708 3.719 -0.682) 4.148 8.025 ( 10.272 4.610 -5.351) 12.466 8.187 ( -2.067 4.404 10.704) 11.757 8.418 ( -5.971 -14.201 14.593) 21.220 8.808 ( -10.719 0.247 -3.300) 11.218 8.873 ( -3.946 -3.710 1.034) 5.514 8.972 ( -3.772 7.872 -3.437) 9.381 9.265 ( -7.040 -10.683 2.518) 13.040 9.659 ( -10.879 -3.547 -7.576) 13.724 9.723 ( -4.762 -6.691 -4.895) 9.561 9.918 ( -1.195 1.593 -2.801) 3.437 9.938 ( 1.732 -0.767 -4.061) 4.481 10.026 ( -2.897 -2.392 -7.762) 8.624 10.098 ( 0.718 -6.941 -5.863) 9.115 10.352 ( 5.945 2.829 9.293) 11.389 10.506 ( 6.078 -10.925 13.000) 18.036 10.952 ( -0.824 5.088 -6.878) 8.595 11.020 ( -1.229 -1.371 -7.080) 7.315 11.388 ( 7.717 3.585 1.498) 8.640 11.452 ( 5.244 -0.742 8.061) 9.645 11.694 ( -7.001 2.327 11.041) 13.279 11.734 ( -6.579 -0.768 8.130) 10.487 12.028 ( -1.926 20.173 -7.922) 21.758 12.239 ( -2.369 4.526 -4.484) 6.798 12.363 ( 1.579 -1.061 -4.793) 5.156 12.430 ( -2.157 -13.149 -9.814) 16.549 12.835 ( 2.623 -1.165 4.919) 5.695 12.853 ( 4.945 -2.242 3.104) 6.254 13.121 ( -2.324 8.287 -1.994) 8.835 13.257 ( 4.423 3.481 -4.854) 7.432 13.343 ( 4.372 -4.745 -11.804) 13.452 13.431 ( -3.145 -8.014 2.084) 8.857 13.517 ( -3.486 0.171 2.045) 4.045 13.578 ( -2.696 -5.747 -0.671) 6.383 13.974 ( 6.456 4.820 8.387) 11.630 14.108 ( 6.370 -7.604 6.261) 11.731 14.295 ( 1.214 6.667 -0.655) 6.809 14.378 ( 3.263 -0.536 -2.297) 4.026 14.536 ( -5.094 1.257 2.417) 5.777 14.584 ( -7.369 -2.370 3.521) 8.504 14.612 ( -5.244 7.477 4.216) 10.059 14.751 ( -4.378 -5.185 3.621) 7.691 15.028 ( 2.458 7.364 3.923) 8.698 15.174 ( 0.886 -6.197 2.285) 6.664 15.410 ( -2.435 3.221 -3.061) 5.067 15.465 ( -1.669 -2.996 -5.473) 6.459 15.730 ( -0.854 5.622 -2.295) 6.132 15.770 ( -1.516 1.826 -0.709) 2.477 15.829 ( -2.226 2.681 -0.150) 3.488 16.039 ( -8.744 -10.786 -4.582) 14.621 17.983 ( 11.489 0.694 1.052) 11.558 18.003 ( 11.981 -1.175 1.486) 12.130 18.147 ( 13.987 3.903 -3.840) 15.020 18.273 ( 15.118 -8.350 -7.502) 18.830 18.653 ( -2.747 1.207 1.183) 3.225 18.685 ( -1.779 -1.639 1.489) 2.841 18.723 ( -1.893 3.235 -0.737) 3.820 18.795 ( -0.623 -3.528 -0.844) 3.681 18.940 ( 3.001 1.213 3.263) 4.596 18.969 ( 2.908 -1.537 3.792) 5.020 19.148 ( -0.028 2.341 -0.987) 2.541 19.196 ( 0.341 -2.076 -1.073) 2.361 19.354 ( -1.308 5.410 1.454) 5.753 19.429 ( -3.365 4.577 -0.106) 5.681 19.475 ( -2.427 -3.104 1.759) 4.314 19.565 ( -4.846 -5.145 -0.091) 7.068 31.840 ( -0.187 1.076 -1.028) 1.500 31.848 ( -0.166 0.247 -0.719) 0.779 31.866 ( -0.532 0.782 -0.790) 1.233 31.883 ( -0.684 -0.711 -1.610) 1.888 31.963 ( 0.285 1.692 2.515) 3.045 31.978 ( -0.250 1.004 1.995) 2.248 32.000 ( -0.210 -0.834 1.895) 2.081 32.012 ( -0.840 -1.114 1.211) 1.847 52.370 ( 1.713 2.021 3.953) 4.759 52.388 ( 1.880 0.453 4.772) 5.149 52.682 ( -3.526 10.015 -1.960) 10.797 52.786 ( -9.544 3.202 -3.155) 10.549 53.075 ( -2.381 3.935 -2.235) 5.114 53.177 ( -3.118 -4.950 0.277) 5.857 53.209 ( -5.150 0.170 -0.974) 5.244 53.341 ( -8.808 -8.912 -1.702) 12.646 ======================= Grid point 66 (29/45) ======================= q-point: ( 0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 7.529 4.979 -0.412) 9.036 2.173 ( 13.172 -0.819 -4.753) 14.027 2.266 ( 1.296 10.437 7.583) 12.966 2.412 ( 8.181 4.945 -10.237) 14.006 2.519 ( -0.544 -6.825 2.715) 7.365 2.620 ( 7.870 -7.069 -11.981) 15.983 2.684 ( 4.371 5.126 -0.641) 6.767 2.847 ( 8.418 -6.419 -0.912) 10.625 2.957 ( -3.387 -0.436 -4.973) 6.033 3.037 ( -9.011 -8.219 -9.361) 15.375 3.139 ( 2.706 1.080 -2.275) 3.697 3.188 ( -7.427 0.930 2.193) 7.800 3.250 ( 8.228 -1.610 1.154) 8.463 3.320 ( -1.243 -4.018 2.722) 5.010 3.522 ( 0.914 2.845 -2.905) 4.168 3.530 ( 2.276 0.429 -1.812) 2.941 3.586 ( -3.853 0.939 -1.175) 4.136 3.618 ( 2.805 -3.620 1.225) 4.741 3.667 ( 1.868 1.156 1.189) 2.497 3.672 ( 1.081 0.321 0.987) 1.499 3.794 ( -4.697 11.236 2.812) 12.498 3.853 ( -5.148 4.202 0.673) 6.679 3.941 ( -3.625 -4.423 -3.424) 6.665 4.054 ( -8.194 -10.990 -3.822) 14.231 4.269 ( 4.659 -0.772 4.815) 6.745 4.306 ( 1.740 -3.035 9.010) 9.665 4.376 ( 6.404 0.190 5.972) 8.759 4.429 ( 8.043 -4.114 7.279) 11.601 4.575 ( 10.485 5.185 0.425) 11.704 4.661 ( 2.981 -2.675 1.674) 4.341 4.752 ( 3.523 1.931 6.476) 7.621 4.765 ( 2.773 4.381 6.768) 8.526 4.869 ( 3.681 6.096 6.360) 9.547 4.973 ( -4.261 2.448 4.048) 6.366 5.085 ( 1.975 -1.676 3.220) 4.132 5.136 ( 0.408 -5.323 2.713) 5.989 5.266 ( 3.501 4.878 5.810) 8.355 5.335 ( 4.621 0.874 0.914) 4.791 5.482 ( 6.837 9.920 -6.690) 13.781 5.567 ( 6.738 9.094 0.121) 11.319 5.623 ( 6.430 0.990 -11.106) 12.871 5.756 ( -0.983 5.385 0.368) 5.486 5.769 ( -3.694 2.048 1.762) 4.577 5.846 ( -4.249 -1.954 1.797) 5.010 5.897 ( -3.628 -4.197 0.867) 5.615 5.930 ( -4.363 -3.151 -1.370) 5.554 6.004 ( 7.658 -2.715 2.970) 8.651 6.125 ( -0.511 -5.503 -0.644) 5.564 6.243 ( -3.115 -4.556 4.055) 6.848 6.305 ( 8.086 -2.611 6.983) 10.999 6.363 ( 0.944 23.197 -1.321) 23.254 6.559 ( -0.142 13.306 -1.049) 13.348 6.622 ( -3.422 5.529 -6.227) 9.003 6.715 ( 6.021 7.846 8.124) 12.800 6.761 ( -2.631 -3.556 -1.113) 4.561 6.981 ( -1.491 -13.526 -3.652) 14.089 7.076 ( -5.550 -8.071 -4.226) 10.668 7.106 ( -2.198 -7.391 -6.573) 10.132 7.318 ( -6.468 3.130 0.069) 7.186 7.401 ( -2.121 -2.149 -4.414) 5.347 7.628 ( 4.512 13.405 7.572) 16.044 7.893 ( -2.285 -8.512 3.821) 9.606 7.926 ( -3.410 11.154 10.072) 15.410 8.155 ( -6.802 -8.564 11.645) 15.976 8.279 ( 9.913 3.798 -3.839) 11.288 8.346 ( 6.182 -0.652 0.665) 6.252 8.609 ( -6.255 -1.348 0.958) 6.470 8.740 ( -8.288 -12.705 -3.948) 15.675 9.005 ( 5.278 6.494 -15.721) 17.810 9.205 ( -0.126 -7.078 -10.549) 12.704 9.440 ( -10.812 -4.126 -15.268) 19.158 9.579 ( -10.591 -12.448 -12.895) 20.818 9.923 ( 1.425 4.592 -1.619) 5.073 9.974 ( -0.236 2.882 -3.167) 4.289 9.998 ( 2.033 -2.382 -4.808) 5.738 10.098 ( -0.935 -7.736 -4.426) 8.962 10.486 ( 8.096 4.224 12.470) 15.456 10.618 ( 5.663 -8.284 14.431) 17.577 10.862 ( -7.872 1.997 7.845) 11.292 10.909 ( -8.391 -2.462 1.992) 8.969 11.503 ( 4.319 3.490 0.156) 5.555 11.528 ( 3.027 1.552 5.353) 6.342 11.608 ( -2.581 4.608 5.868) 7.895 11.651 ( -3.003 0.776 7.365) 7.992 12.024 ( 1.993 18.837 -4.327) 19.430 12.180 ( -3.810 10.670 -2.881) 11.691 12.388 ( 0.788 -10.177 -8.486) 13.275 12.411 ( 0.035 -12.391 -6.458) 13.973 12.894 ( 3.520 1.450 4.249) 5.705 12.958 ( 4.836 -0.942 0.196) 4.931 13.073 ( -1.712 1.786 0.635) 2.554 13.263 ( -6.075 -12.135 -3.961) 14.137 13.353 ( 2.951 5.367 -2.554) 6.636 13.453 ( -0.005 1.420 -3.301) 3.593 13.475 ( 0.668 -3.804 -2.123) 4.407 13.538 ( -1.605 -4.981 -3.353) 6.216 14.094 ( 6.027 5.502 6.859) 10.660 14.220 ( 5.216 -6.402 4.466) 9.388 14.291 ( -2.672 7.952 5.720) 10.154 14.417 ( -0.818 4.715 -1.637) 5.058 14.424 ( -4.582 -3.958 4.776) 7.712 14.495 ( -1.294 2.982 -1.264) 3.488 14.550 ( -0.931 -0.670 0.385) 1.210 14.666 ( -4.378 -5.464 0.748) 7.041 15.095 ( 4.620 7.005 1.432) 8.512 15.220 ( 3.979 -4.672 -0.673) 6.173 15.324 ( -6.136 7.111 -3.841) 10.148 15.414 ( -4.014 -2.444 -6.186) 7.768 15.728 ( 0.983 3.573 1.081) 3.860 15.766 ( 0.677 -1.028 0.556) 1.350 15.794 ( -1.669 -0.151 1.171) 2.044 15.891 ( -6.413 -7.366 -0.540) 9.781 18.208 ( 11.690 1.021 1.096) 11.786 18.237 ( 12.019 -1.490 1.534) 12.208 18.391 ( 11.094 4.095 -4.310) 12.586 18.500 ( 6.506 -4.870 -6.027) 10.117 18.583 ( -2.573 -1.104 0.146) 2.804 18.607 ( -5.825 -1.770 1.202) 6.206 18.681 ( -3.415 3.235 -1.740) 5.016 18.763 ( -2.897 -4.335 -2.404) 5.742 19.008 ( 3.852 1.828 3.652) 5.614 19.033 ( 3.578 -0.153 3.179) 4.788 19.140 ( -0.913 1.436 2.371) 2.919 19.188 ( -1.547 -2.756 1.732) 3.604 19.337 ( -0.158 4.157 -0.136) 4.162 19.375 ( -1.971 4.202 -0.761) 4.703 19.433 ( -1.680 -2.876 0.122) 3.333 19.481 ( -3.796 -3.609 -0.921) 5.318 31.840 ( 0.167 0.884 -1.387) 1.653 31.848 ( 0.183 0.188 -1.339) 1.364 31.856 ( -0.481 0.801 -1.465) 1.738 31.869 ( -0.693 -0.388 -1.843) 2.007 31.968 ( 0.219 1.243 2.519) 2.818 31.975 ( -0.124 0.629 2.299) 2.386 31.994 ( -0.332 -0.707 1.830) 1.989 31.998 ( -0.577 -0.940 1.647) 1.983 52.414 ( 2.931 3.418 2.994) 5.408 52.437 ( 3.372 1.554 2.728) 4.608 52.599 ( -5.477 7.443 -1.408) 9.348 52.616 ( -7.083 5.787 0.431) 9.156 53.059 ( 0.560 0.653 -2.053) 2.226 53.124 ( -2.061 -4.035 -0.352) 4.545 53.136 ( -2.717 -3.579 -1.400) 4.706 53.192 ( -6.485 -6.746 -0.377) 9.365 ======================= Grid point 67 (30/45) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -5.967 5.830 1.178) 8.425 2.203 ( 5.967 5.830 1.178) 8.425 2.406 ( -9.307 -12.613 -0.917) 15.702 2.406 ( 9.307 -12.613 -0.917) 15.702 2.609 ( -9.116 9.567 -9.339) 16.182 2.609 ( 9.116 9.567 -9.339) 16.182 2.788 ( -8.016 -5.732 -13.085) 16.380 2.788 ( 8.016 -5.732 -13.085) 16.380 2.993 ( -10.088 6.085 4.814) 12.726 2.993 ( 10.088 6.085 4.814) 12.726 3.110 ( -7.621 -6.073 1.899) 9.928 3.110 ( 7.621 -6.073 1.899) 9.928 3.415 ( -3.874 1.280 -0.303) 4.092 3.415 ( 3.875 1.280 -0.303) 4.092 3.429 ( -4.063 -0.211 -0.595) 4.111 3.429 ( 4.062 -0.211 -0.595) 4.111 3.651 ( -5.423 1.351 1.628) 5.821 3.651 ( 5.423 1.351 1.628) 5.821 3.685 ( -2.513 -1.219 4.545) 5.335 3.685 ( 2.513 -1.219 4.545) 5.335 3.754 ( -3.955 6.143 -1.752) 7.514 3.754 ( 3.955 6.143 -1.752) 7.514 3.916 ( -3.319 -10.125 -5.422) 11.955 3.916 ( 3.319 -10.125 -5.422) 11.955 4.339 ( -0.279 2.525 7.798) 8.202 4.339 ( 0.279 2.525 7.798) 8.202 4.419 ( -2.219 -5.727 6.088) 8.648 4.419 ( 2.219 -5.727 6.088) 8.648 4.727 ( -3.435 2.755 0.537) 4.436 4.727 ( 3.435 2.755 0.537) 4.436 4.757 ( -3.582 0.222 0.306) 3.602 4.757 ( 3.582 0.222 0.306) 3.602 4.953 ( -1.299 5.125 10.651) 11.891 4.953 ( 1.299 5.125 10.651) 11.891 5.096 ( -2.854 -4.396 9.562) 10.905 5.096 ( 2.854 -4.396 9.562) 10.905 5.472 ( -10.574 7.628 -0.566) 13.051 5.472 ( 10.574 7.628 -0.565) 13.051 5.536 ( -12.570 4.999 -4.571) 14.279 5.536 ( 12.570 4.999 -4.571) 14.279 5.688 ( -3.233 -0.602 -2.304) 4.016 5.688 ( 3.233 -0.602 -2.304) 4.016 5.802 ( -5.269 8.221 0.945) 9.810 5.802 ( 5.269 8.221 0.945) 9.810 5.845 ( -5.354 -4.364 -4.688) 8.348 5.845 ( 5.354 -4.364 -4.688) 8.348 6.098 ( -2.272 -7.410 1.133) 7.833 6.098 ( 2.272 -7.410 1.133) 7.833 6.277 ( -7.674 14.379 -1.017) 16.330 6.277 ( 7.674 14.379 -1.017) 16.330 6.480 ( -8.496 0.640 -2.773) 8.960 6.480 ( 8.496 0.640 -2.773) 8.960 6.617 ( -7.099 9.939 2.500) 12.467 6.617 ( 7.099 9.939 2.500) 12.467 6.884 ( -5.152 -12.891 4.075) 14.468 6.884 ( 5.152 -12.891 4.075) 14.468 7.114 ( -9.645 4.910 -5.430) 12.109 7.114 ( 9.645 4.910 -5.430) 12.109 7.275 ( -10.001 -8.079 -2.603) 13.118 7.275 ( 10.001 -8.079 -2.603) 13.118 7.746 ( -7.929 11.528 14.644) 20.254 7.746 ( 7.929 11.528 14.644) 20.254 8.000 ( -7.686 -10.345 11.026) 16.961 8.000 ( 7.686 -10.345 11.026) 16.961 8.403 ( -5.061 6.389 -2.818) 8.624 8.403 ( 5.061 6.389 -2.818) 8.624 8.613 ( -6.296 -11.301 -2.504) 13.177 8.613 ( 6.296 -11.301 -2.504) 13.177 9.149 ( -8.424 5.821 -22.110) 24.366 9.149 ( 8.424 5.821 -22.110) 24.366 9.379 ( -7.468 -15.092 -15.608) 22.960 9.379 ( 7.468 -15.092 -15.608) 22.960 9.953 ( -1.413 4.690 -1.480) 5.117 9.953 ( 1.413 4.690 -1.480) 5.117 10.058 ( -3.098 -5.018 -4.259) 7.274 10.058 ( 3.098 -5.018 -4.259) 7.274 10.648 ( -7.480 4.977 13.232) 15.994 10.648 ( 7.480 4.977 13.232) 15.994 10.770 ( -4.561 -7.502 11.715) 14.639 10.770 ( 4.561 -7.502 11.715) 14.639 11.562 ( -2.544 5.112 2.183) 6.113 11.562 ( 2.544 5.112 2.183) 6.113 11.591 ( -3.435 2.033 4.456) 5.982 11.591 ( 3.435 2.033 4.456) 5.982 12.095 ( -4.790 14.809 -2.471) 15.760 12.095 ( 4.790 14.809 -2.471) 15.760 12.405 ( -0.871 -12.878 -7.243) 14.801 12.405 ( 0.871 -12.878 -7.243) 14.801 12.960 ( -3.136 5.131 1.680) 6.244 12.960 ( 3.136 5.131 1.680) 6.244 13.133 ( -6.622 -10.034 -0.724) 12.044 13.133 ( 6.622 -10.034 -0.724) 12.044 13.412 ( -2.850 4.165 -1.971) 5.418 13.412 ( 2.850 4.165 -1.971) 5.418 13.510 ( -1.616 -5.156 -4.551) 7.064 13.510 ( 1.616 -5.156 -4.551) 7.064 14.204 ( -5.557 5.844 6.570) 10.402 14.204 ( 5.557 5.844 6.570) 10.402 14.313 ( -5.016 -3.993 4.454) 7.807 14.313 ( 5.016 -3.993 4.454) 7.807 14.455 ( -2.510 6.216 -0.792) 6.750 14.455 ( 2.510 6.216 -0.792) 6.750 14.589 ( -3.667 -5.937 -1.164) 7.075 14.589 ( 3.667 -5.937 -1.164) 7.075 15.200 ( -6.318 7.598 -1.535) 10.001 15.200 ( 6.318 7.598 -1.535) 10.001 15.317 ( -5.689 -3.574 -4.425) 8.045 15.317 ( 5.689 -3.574 -4.425) 8.045 15.758 ( -1.770 0.695 1.836) 2.643 15.758 ( 1.770 0.695 1.836) 2.643 15.802 ( -2.972 -3.442 0.914) 4.639 15.802 ( 2.972 -3.442 0.914) 4.639 18.409 ( -8.755 1.381 0.684) 8.890 18.409 ( 8.756 1.381 0.684) 8.890 18.443 ( -8.497 -1.444 0.809) 8.657 18.443 ( 8.497 -1.444 0.809) 8.657 18.581 ( -6.612 3.402 -2.702) 7.911 18.581 ( 6.612 3.402 -2.702) 7.911 18.681 ( -5.819 -5.787 -4.527) 9.372 18.681 ( 5.819 -5.787 -4.527) 9.372 19.069 ( -1.550 3.697 3.310) 5.199 19.069 ( 1.550 3.697 3.310) 5.199 19.140 ( -2.406 -3.342 3.646) 5.500 19.140 ( 2.406 -3.342 3.646) 5.500 19.349 ( -1.121 4.044 -0.538) 4.231 19.349 ( 1.121 4.044 -0.538) 4.231 19.428 ( -1.460 -3.156 -1.456) 3.769 19.428 ( 1.460 -3.156 -1.456) 3.769 31.845 ( -0.375 0.914 -1.505) 1.800 31.845 ( 0.375 0.914 -1.505) 1.800 31.857 ( -0.541 -0.193 -1.826) 1.914 31.857 ( 0.541 -0.193 -1.826) 1.914 31.972 ( -0.196 0.876 2.436) 2.597 31.972 ( 0.196 0.876 2.436) 2.597 31.991 ( -0.098 -0.826 1.806) 1.989 31.991 ( 0.098 -0.826 1.806) 1.989 52.485 ( -4.212 5.881 1.474) 7.382 52.485 ( 4.212 5.881 1.474) 7.382 52.518 ( -3.899 2.913 0.966) 4.962 52.518 ( 3.899 2.913 0.966) 4.962 53.092 ( -2.545 -2.691 -0.870) 3.805 53.092 ( 2.545 -2.691 -0.870) 3.805 53.112 ( -0.871 -4.257 -1.160) 4.498 53.112 ( 0.871 -4.257 -1.160) 4.498 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 0.000 33.824) 33.824 1.606 ( 0.000 0.000 40.000) 40.000 1.685 ( 0.000 0.000 17.900) 17.900 1.996 ( 0.000 0.000 -26.812) 26.812 2.108 ( 0.000 0.000 -22.527) 22.527 2.303 ( 0.000 0.000 -30.198) 30.198 2.407 ( 0.000 0.000 41.293) 41.293 2.580 ( 0.000 0.000 6.402) 6.402 2.740 ( 0.000 0.000 -9.977) 9.977 2.802 ( 0.000 0.000 9.916) 9.916 2.883 ( 0.000 0.000 -9.721) 9.721 3.071 ( 0.000 0.000 -17.541) 17.541 3.353 ( 0.000 0.000 2.337) 2.337 3.362 ( 0.000 0.000 5.719) 5.719 3.425 ( 0.000 0.000 -4.843) 4.843 3.546 ( 0.000 0.000 -5.451) 5.451 3.572 ( 0.000 0.000 -0.245) 0.245 3.574 ( 0.000 0.000 1.465) 1.465 3.585 ( 0.000 0.000 -6.630) 6.630 3.593 ( 0.000 0.000 -0.717) 0.717 3.763 ( 0.000 0.000 4.534) 4.534 3.833 ( 0.000 0.000 -3.267) 3.267 3.856 ( 0.000 0.000 1.021) 1.021 3.870 ( 0.000 0.000 -0.761) 0.761 4.359 ( 0.000 0.000 12.733) 12.733 4.385 ( 0.000 0.000 10.602) 10.602 4.492 ( 0.000 0.000 5.201) 5.201 4.593 ( 0.000 0.000 -9.190) 9.190 4.621 ( 0.000 0.000 -6.245) 6.245 4.682 ( 0.000 0.000 -8.998) 8.998 4.768 ( 0.000 0.000 -5.560) 5.560 4.772 ( 0.000 0.000 7.485) 7.485 4.823 ( 0.000 0.000 -1.153) 1.153 4.919 ( 0.000 0.000 -8.335) 8.335 5.056 ( 0.000 0.000 8.542) 8.542 5.131 ( 0.000 0.000 0.349) 0.349 5.408 ( 0.000 0.000 11.727) 11.727 5.410 ( 0.000 0.000 5.252) 5.252 5.467 ( 0.000 0.000 10.973) 10.973 5.522 ( 0.000 0.000 -3.565) 3.565 5.524 ( 0.000 0.000 1.479) 1.479 5.659 ( 0.000 0.000 14.528) 14.528 5.752 ( 0.000 0.000 -11.130) 11.130 5.786 ( 0.000 0.000 0.929) 0.929 5.838 ( 0.000 0.000 -11.798) 11.798 5.920 ( 0.000 0.000 1.301) 1.301 5.980 ( 0.000 0.000 -6.101) 6.101 6.004 ( 0.000 0.000 6.202) 6.202 6.104 ( 0.000 0.000 -18.970) 18.970 6.144 ( 0.000 0.000 -10.773) 10.773 6.260 ( 0.000 0.000 0.072) 0.072 6.291 ( 0.000 0.000 -4.149) 4.149 6.613 ( 0.000 0.000 4.010) 4.010 6.643 ( 0.000 0.000 0.232) 0.232 6.990 ( 0.000 0.000 -1.814) 1.814 6.998 ( 0.000 0.000 -2.588) 2.588 6.999 ( 0.000 0.000 1.413) 1.413 7.002 ( 0.000 0.000 0.706) 0.706 7.257 ( 0.000 0.000 12.183) 12.183 7.460 ( 0.000 0.000 7.907) 7.907 7.514 ( 0.000 0.000 -14.204) 14.204 7.565 ( 0.000 0.000 -3.371) 3.371 8.139 ( 0.000 0.000 13.629) 13.629 8.273 ( 0.000 0.000 0.349) 0.349 8.375 ( 0.000 0.000 23.248) 23.248 8.700 ( 0.000 0.000 3.943) 3.943 8.952 ( 0.000 0.000 -7.647) 7.647 9.167 ( 0.000 0.000 -15.544) 15.544 9.463 ( 0.000 0.000 14.695) 14.695 9.507 ( 0.000 0.000 14.772) 14.772 9.671 ( 0.000 0.000 0.557) 0.557 9.738 ( 0.000 0.000 -0.973) 0.973 9.806 ( 0.000 0.000 -15.606) 15.606 9.891 ( 0.000 0.000 -23.709) 23.709 10.029 ( 0.000 0.000 13.692) 13.692 10.369 ( 0.000 0.000 -21.469) 21.469 10.643 ( 0.000 0.000 6.200) 6.200 10.675 ( 0.000 0.000 0.548) 0.548 10.704 ( 0.000 0.000 -2.476) 2.476 10.757 ( 0.000 0.000 -5.563) 5.563 11.114 ( 0.000 0.000 10.715) 10.715 11.299 ( 0.000 0.000 -8.304) 8.304 11.590 ( 0.000 0.000 22.613) 22.613 11.906 ( 0.000 0.000 -8.797) 8.797 12.075 ( 0.000 0.000 9.147) 9.147 12.244 ( 0.000 0.000 9.412) 9.412 12.387 ( 0.000 0.000 -24.913) 24.913 12.440 ( 0.000 0.000 -10.631) 10.631 12.737 ( 0.000 0.000 1.633) 1.633 12.781 ( 0.000 0.000 -3.427) 3.427 12.995 ( 0.000 0.000 19.885) 19.885 13.065 ( 0.000 0.000 6.172) 6.172 13.162 ( 0.000 0.000 -3.956) 3.956 13.371 ( 0.000 0.000 -19.086) 19.086 13.869 ( 0.000 0.000 10.586) 10.586 13.943 ( 0.000 0.000 3.806) 3.806 13.983 ( 0.000 0.000 -1.036) 1.036 14.047 ( 0.000 0.000 -8.126) 8.126 14.335 ( 0.000 0.000 7.095) 7.095 14.379 ( 0.000 0.000 0.289) 0.289 14.474 ( 0.000 0.000 6.857) 6.857 14.632 ( 0.000 0.000 4.987) 4.987 14.679 ( 0.000 0.000 -0.091) 0.091 14.718 ( 0.000 0.000 -16.096) 16.096 14.988 ( 0.000 0.000 16.297) 16.297 15.303 ( 0.000 0.000 -16.011) 16.011 15.424 ( 0.000 0.000 2.966) 2.966 15.458 ( 0.000 0.000 0.050) 0.050 15.811 ( 0.000 0.000 8.327) 8.327 15.926 ( 0.000 0.000 -3.743) 3.743 16.039 ( 0.000 0.000 9.454) 9.454 16.271 ( 0.000 0.000 -13.712) 13.712 17.730 ( 0.000 0.000 1.070) 1.070 17.748 ( 0.000 0.000 0.816) 0.816 17.750 ( 0.000 0.000 -0.987) 0.987 17.764 ( 0.000 0.000 -0.784) 0.784 18.714 ( 0.000 0.000 2.977) 2.977 18.722 ( 0.000 0.000 0.073) 0.073 18.726 ( 0.000 0.000 -0.389) 0.389 18.768 ( 0.000 0.000 -2.599) 2.599 18.959 ( 0.000 0.000 5.104) 5.104 19.053 ( 0.000 0.000 -4.510) 4.510 19.128 ( 0.000 0.000 2.693) 2.693 19.173 ( 0.000 0.000 -1.955) 1.955 19.239 ( 0.000 0.000 1.196) 1.196 19.261 ( 0.000 0.000 -1.075) 1.075 19.766 ( 0.000 0.000 4.995) 4.995 19.869 ( 0.000 0.000 -5.467) 5.467 31.779 ( 0.000 0.000 0.054) 0.054 31.791 ( 0.000 0.000 -1.137) 1.137 31.899 ( 0.000 0.000 1.448) 1.448 31.907 ( 0.000 0.000 1.328) 1.328 31.916 ( 0.000 0.000 -0.306) 0.306 31.935 ( 0.000 0.000 -1.594) 1.594 32.044 ( 0.000 0.000 0.708) 0.708 32.047 ( 0.000 0.000 0.377) 0.377 52.253 ( 0.000 0.000 3.046) 3.046 52.318 ( 0.000 0.000 -3.642) 3.642 52.522 ( 0.000 0.000 10.425) 10.425 52.740 ( 0.000 0.000 -11.988) 11.988 53.340 ( 0.000 0.000 3.492) 3.492 53.402 ( 0.000 0.000 -2.904) 2.904 53.445 ( 0.000 0.000 3.855) 3.855 53.512 ( 0.000 0.000 -2.849) 2.849 ======================= Grid point 91 (32/45) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 9.658 0.000 29.410) 30.955 1.674 ( 6.791 0.000 29.681) 30.448 1.740 ( 7.245 0.000 20.760) 21.988 2.031 ( 3.396 0.000 -24.612) 24.845 2.071 ( -1.530 0.000 -20.360) 20.418 2.345 ( 4.228 0.000 -29.090) 29.395 2.637 ( 21.655 0.000 33.543) 39.925 2.661 ( 6.588 0.000 7.894) 10.282 2.826 ( 6.554 0.000 -9.307) 11.383 2.859 ( 7.785 0.000 3.891) 8.703 3.005 ( 9.116 0.000 -4.319) 10.087 3.086 ( 1.162 0.000 -13.935) 13.983 3.369 ( 2.321 0.000 3.032) 3.819 3.418 ( 4.688 0.000 5.591) 7.297 3.446 ( 1.704 0.000 -1.134) 2.047 3.560 ( -0.343 0.000 2.925) 2.945 3.565 ( -0.923 0.000 1.333) 1.622 3.572 ( 0.328 0.000 -1.942) 1.970 3.616 ( 3.224 0.000 -3.525) 4.777 3.617 ( 3.984 0.000 -1.850) 4.393 3.822 ( -5.946 0.000 -1.004) 6.030 3.823 ( -1.500 0.000 0.476) 1.574 3.908 ( 8.491 0.000 -2.182) 8.767 3.924 ( 14.539 0.000 -3.824) 15.033 4.299 ( -4.694 0.000 11.225) 12.167 4.397 ( 0.280 0.000 7.182) 7.188 4.513 ( 1.127 0.000 4.997) 5.123 4.536 ( -12.591 0.000 0.923) 12.625 4.562 ( -5.462 0.000 -2.649) 6.071 4.571 ( -1.996 0.000 -5.179) 5.550 4.713 ( -6.978 0.000 -0.573) 7.001 4.775 ( 0.241 0.000 2.310) 2.323 4.779 ( 2.416 0.000 -15.464) 15.652 4.884 ( -1.988 0.000 -6.313) 6.618 5.114 ( 2.872 0.000 8.100) 8.594 5.148 ( -1.935 0.000 2.398) 3.081 5.224 ( -10.939 0.000 14.504) 18.167 5.358 ( -3.530 0.000 -0.674) 3.594 5.377 ( -7.757 0.000 -1.807) 7.965 5.564 ( -2.363 0.000 -8.407) 8.733 5.602 ( -3.889 0.000 -13.562) 14.109 5.617 ( 3.339 0.000 -2.099) 3.944 5.698 ( 2.670 0.000 13.737) 13.994 5.765 ( 0.801 0.000 6.471) 6.520 5.842 ( -0.391 0.000 -1.549) 1.598 5.891 ( -0.830 0.000 -7.264) 7.311 5.930 ( 0.736 0.000 3.781) 3.852 6.075 ( -13.364 0.000 11.824) 17.844 6.125 ( -0.675 0.000 -12.457) 12.475 6.173 ( -5.228 0.000 -4.196) 6.703 6.241 ( 14.613 0.000 6.521) 16.002 6.393 ( 5.584 0.000 -1.126) 5.697 6.570 ( -6.073 0.000 -3.202) 6.866 6.630 ( 7.745 0.000 -12.894) 15.042 6.905 ( -5.694 0.000 3.856) 6.877 6.959 ( -5.130 0.000 -0.977) 5.222 7.082 ( 7.404 0.000 4.618) 8.726 7.136 ( 11.509 0.000 -1.536) 11.611 7.303 ( 5.146 0.000 11.260) 12.380 7.517 ( 2.132 0.000 -7.649) 7.940 7.545 ( 7.096 0.000 7.481) 10.311 7.697 ( 10.050 0.000 -10.332) 14.414 7.861 ( -17.970 0.000 12.954) 22.152 8.018 ( -17.893 0.000 -2.512) 18.068 8.408 ( -1.184 0.000 24.502) 24.531 8.844 ( 3.907 0.000 -14.164) 14.693 8.974 ( 5.227 0.000 10.076) 11.351 9.160 ( -14.471 0.000 3.967) 15.005 9.411 ( -9.622 0.000 3.803) 10.346 9.446 ( 5.328 0.000 -10.396) 11.682 9.641 ( -2.928 0.000 4.593) 5.447 9.669 ( 0.073 0.000 1.476) 1.478 9.787 ( -2.370 0.000 -11.304) 11.549 9.931 ( 2.720 0.000 -21.882) 22.050 10.074 ( 2.088 0.000 12.336) 12.511 10.380 ( -1.149 0.000 -18.429) 18.465 10.536 ( -2.446 0.000 5.171) 5.720 10.630 ( 1.391 0.000 -4.688) 4.890 10.836 ( 7.715 0.000 5.878) 9.699 10.957 ( 9.273 0.000 -6.555) 11.356 11.112 ( 0.422 0.000 10.153) 10.162 11.302 ( 1.039 0.000 -9.680) 9.736 11.556 ( -4.092 0.000 17.379) 17.854 11.784 ( -10.859 0.000 -5.572) 12.205 12.049 ( -1.819 0.000 11.688) 11.829 12.269 ( 2.089 0.000 5.583) 5.961 12.385 ( -5.014 0.000 -4.753) 6.908 12.394 ( 0.722 0.000 -23.738) 23.749 12.829 ( 8.341 0.000 -0.243) 8.344 12.839 ( 5.631 0.000 -1.104) 5.738 13.000 ( 0.854 0.000 16.307) 16.330 13.115 ( 4.365 0.000 0.394) 4.383 13.186 ( 2.046 0.000 -0.828) 2.207 13.379 ( 0.826 0.000 -17.315) 17.334 13.786 ( -7.107 0.000 8.121) 10.792 13.898 ( -6.386 0.000 -1.265) 6.510 14.016 ( 2.773 0.000 0.130) 2.776 14.029 ( 0.565 0.000 -2.588) 2.649 14.362 ( 1.421 0.000 7.875) 8.002 14.398 ( 1.355 0.000 1.338) 1.905 14.451 ( -1.010 0.000 3.313) 3.464 14.566 ( -6.202 0.000 -4.229) 7.507 14.657 ( 1.935 0.000 5.843) 6.155 14.790 ( 2.306 0.000 -9.104) 9.391 14.968 ( -1.630 0.000 16.280) 16.362 15.274 ( -2.649 0.000 -13.576) 13.832 15.393 ( -6.641 0.000 3.059) 7.312 15.411 ( -1.851 0.000 -0.978) 2.093 15.743 ( -3.095 0.000 7.581) 8.188 15.856 ( -5.092 0.000 -4.232) 6.621 16.037 ( -1.589 0.000 9.030) 9.169 16.241 ( -3.631 0.000 -11.602) 12.156 17.805 ( 7.518 0.000 1.206) 7.614 17.828 ( 7.850 0.000 -0.901) 7.901 17.881 ( 12.327 0.000 2.594) 12.597 17.974 ( 17.723 0.000 -7.987) 19.440 18.679 ( -1.918 0.000 0.939) 2.136 18.692 ( -2.255 0.000 -0.593) 2.332 18.760 ( 1.919 0.000 2.272) 2.974 18.810 ( 2.841 0.000 -2.848) 4.022 18.958 ( 0.014 0.000 4.928) 4.928 19.049 ( -0.302 0.000 -4.281) 4.291 19.114 ( -1.263 0.000 3.073) 3.322 19.166 ( -0.586 0.000 -2.318) 2.391 19.251 ( 1.152 0.000 1.597) 1.969 19.279 ( 1.730 0.000 -1.318) 2.175 19.724 ( -4.202 0.000 4.096) 5.868 19.799 ( -6.615 0.000 -3.148) 7.326 31.779 ( 0.096 0.000 0.024) 0.099 31.791 ( 0.088 0.000 -1.183) 1.187 31.870 ( -1.387 0.000 1.020) 1.722 31.890 ( -1.533 0.000 -0.977) 1.818 31.940 ( 1.721 0.000 1.540) 2.310 31.961 ( 1.558 0.000 -0.750) 1.729 32.039 ( -0.513 0.000 0.808) 0.957 32.044 ( -0.391 0.000 0.360) 0.531 52.248 ( -0.336 0.000 2.796) 2.816 52.308 ( -0.899 0.000 -3.262) 3.384 52.507 ( -1.639 0.000 9.620) 9.759 52.699 ( -4.760 0.000 -9.518) 10.642 53.163 ( -9.920 0.000 9.387) 13.658 53.297 ( -6.760 0.000 -4.853) 8.322 53.479 ( -0.032 0.000 4.133) 4.134 53.568 ( 0.383 0.000 -5.070) 5.085 ======================= Grid point 92 (33/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 15.339 0.000 17.423) 23.213 1.852 ( 12.043 0.000 11.941) 16.960 1.982 ( 16.077 0.000 13.647) 21.088 2.108 ( 5.606 0.000 -15.004) 16.017 2.119 ( 7.286 0.000 -6.569) 9.810 2.476 ( 9.294 0.000 -18.261) 20.490 2.837 ( 10.755 0.000 2.529) 11.049 2.929 ( 3.830 0.000 -9.093) 9.867 2.954 ( 0.998 0.000 5.891) 5.975 3.058 ( 17.681 0.000 13.464) 22.224 3.098 ( 0.249 0.000 -7.638) 7.642 3.183 ( 8.191 0.000 -2.336) 8.517 3.408 ( 0.119 0.000 2.069) 2.072 3.425 ( -1.223 0.000 1.048) 1.610 3.505 ( -5.815 0.000 4.359) 7.268 3.508 ( 1.590 0.000 8.176) 8.329 3.592 ( 1.845 0.000 -0.426) 1.893 3.602 ( 2.789 0.000 -1.721) 3.278 3.627 ( -7.515 0.000 -6.128) 9.697 3.674 ( 0.758 0.000 -5.122) 5.178 3.767 ( 6.416 0.000 5.245) 8.287 3.821 ( 1.508 0.000 -0.259) 1.530 4.091 ( 5.919 0.000 6.238) 8.599 4.169 ( -14.005 0.000 7.964) 16.111 4.238 ( 10.495 0.000 -6.754) 12.481 4.268 ( 5.075 0.000 0.281) 5.083 4.492 ( 2.413 0.000 1.093) 2.649 4.503 ( -5.040 0.000 2.273) 5.529 4.512 ( -0.249 0.000 0.702) 0.745 4.552 ( 8.988 0.000 0.362) 8.995 4.651 ( 1.914 0.000 5.431) 5.759 4.758 ( -3.512 0.000 3.978) 5.306 4.800 ( 0.149 0.000 -9.036) 9.037 4.909 ( 4.469 0.000 -11.043) 11.913 5.078 ( -2.459 0.000 1.956) 3.142 5.108 ( -4.492 0.000 4.275) 6.201 5.139 ( 1.311 0.000 7.188) 7.306 5.276 ( 2.294 0.000 1.343) 2.658 5.303 ( -2.225 0.000 -4.109) 4.673 5.479 ( -0.800 0.000 -21.142) 21.157 5.550 ( -8.991 0.000 4.758) 10.172 5.598 ( -3.033 0.000 -1.902) 3.580 5.751 ( -1.502 0.000 7.750) 7.894 5.781 ( 1.595 0.000 6.127) 6.332 5.840 ( 0.325 0.000 -1.126) 1.172 5.878 ( -2.801 0.000 -5.054) 5.778 5.896 ( 0.738 0.000 7.336) 7.373 5.992 ( 4.538 0.000 7.115) 8.439 6.038 ( -2.681 0.000 -5.449) 6.073 6.166 ( 1.559 0.000 -9.513) 9.640 6.383 ( -1.142 0.000 2.766) 2.993 6.447 ( -3.598 0.000 -2.434) 4.344 6.484 ( 3.785 0.000 11.915) 12.502 6.722 ( -8.199 0.000 -7.213) 10.920 6.802 ( -10.047 0.000 -0.665) 10.069 6.808 ( 0.498 0.000 -5.704) 5.726 7.242 ( 8.099 0.000 12.777) 15.128 7.406 ( 8.793 0.000 -4.478) 9.868 7.468 ( 8.491 0.000 10.431) 13.450 7.498 ( -8.276 0.000 6.491) 10.518 7.626 ( 11.227 0.000 -5.948) 12.705 7.653 ( -8.961 0.000 -8.453) 12.319 7.769 ( 7.992 0.000 7.852) 11.204 7.973 ( 11.291 0.000 -12.979) 17.203 8.353 ( -3.526 0.000 24.266) 24.521 8.732 ( -25.594 0.000 14.358) 29.346 8.813 ( -3.642 0.000 -22.807) 23.096 8.983 ( -14.066 0.000 -6.725) 15.591 9.228 ( 1.353 0.000 13.547) 13.614 9.579 ( 5.479 0.000 -14.415) 15.422 9.637 ( -2.178 0.000 8.677) 8.946 9.685 ( 1.441 0.000 -3.919) 4.176 9.757 ( 0.977 0.000 -4.170) 4.283 9.942 ( -1.770 0.000 -14.939) 15.044 10.065 ( -2.878 0.000 6.539) 7.144 10.294 ( -7.080 0.000 -12.964) 14.771 10.569 ( 4.630 0.000 11.423) 12.326 10.763 ( 10.748 0.000 -9.156) 14.119 10.895 ( -1.525 0.000 5.591) 5.795 11.015 ( -1.923 0.000 -6.107) 6.402 11.153 ( 3.299 0.000 9.544) 10.098 11.341 ( 1.216 0.000 -9.788) 9.863 11.435 ( -7.433 0.000 9.600) 12.141 11.570 ( -9.697 0.000 -4.033) 10.502 12.033 ( 0.258 0.000 16.168) 16.170 12.283 ( -5.226 0.000 4.808) 7.101 12.312 ( 2.349 0.000 -1.816) 2.969 12.410 ( 0.793 0.000 -19.775) 19.790 12.968 ( 7.304 0.000 1.748) 7.511 13.006 ( 9.235 0.000 -1.731) 9.396 13.037 ( 3.243 0.000 10.371) 10.866 13.196 ( 3.509 0.000 -6.499) 7.385 13.220 ( 1.188 0.000 3.627) 3.817 13.399 ( 1.168 0.000 -13.395) 13.446 13.644 ( -7.129 0.000 3.927) 8.139 13.731 ( -9.708 0.000 -3.991) 10.497 14.077 ( 3.750 0.000 1.399) 4.002 14.080 ( 3.859 0.000 1.000) 3.986 14.340 ( -2.852 0.000 7.269) 7.809 14.396 ( -2.330 0.000 2.083) 3.126 14.483 ( 3.464 0.000 -0.668) 3.528 14.496 ( -0.563 0.000 -2.729) 2.786 14.685 ( 0.706 0.000 5.446) 5.492 14.774 ( -3.803 0.000 -0.125) 3.805 14.955 ( 0.590 0.000 10.437) 10.454 15.219 ( -2.799 0.000 -11.220) 11.564 15.249 ( -7.409 0.000 5.155) 9.026 15.344 ( -4.844 0.000 -6.744) 8.304 15.735 ( 1.534 0.000 4.665) 4.910 15.798 ( -0.628 0.000 -2.300) 2.384 15.981 ( -3.745 0.000 7.263) 8.172 16.136 ( -6.810 0.000 -8.209) 10.666 17.991 ( 11.294 0.000 1.285) 11.366 18.017 ( 11.287 0.000 -1.187) 11.349 18.150 ( 14.455 0.000 4.547) 15.153 18.295 ( 14.276 0.000 -10.994) 18.019 18.640 ( -2.392 0.000 0.382) 2.422 18.649 ( -2.245 0.000 -0.744) 2.365 18.778 ( -0.355 0.000 3.102) 3.122 18.847 ( 0.526 0.000 -4.171) 4.204 18.965 ( 0.787 0.000 4.847) 4.910 19.052 ( 0.931 0.000 -3.950) 4.059 19.086 ( -1.559 0.000 3.957) 4.253 19.155 ( -0.590 0.000 -3.064) 3.121 19.278 ( 1.748 0.000 2.446) 3.007 19.319 ( 2.377 0.000 -1.774) 2.966 19.624 ( -5.785 0.000 2.250) 6.207 19.654 ( -7.942 0.000 -0.245) 7.946 31.784 ( 0.447 0.000 -0.082) 0.454 31.795 ( 0.399 0.000 -1.219) 1.282 31.847 ( -1.098 0.000 0.610) 1.256 31.864 ( -1.262 0.000 -1.087) 1.666 31.966 ( 1.048 0.000 1.672) 1.973 31.985 ( 0.952 0.000 -0.373) 1.022 32.026 ( -0.799 0.000 1.051) 1.320 32.034 ( -0.592 0.000 0.271) 0.651 52.246 ( 0.269 0.000 2.326) 2.342 52.294 ( -0.280 0.000 -2.511) 2.526 52.457 ( -3.520 0.000 7.087) 7.913 52.570 ( -7.613 0.000 -2.957) 8.167 53.072 ( -0.190 0.000 6.020) 6.023 53.197 ( -3.127 0.000 -5.939) 6.712 53.436 ( -4.065 0.000 3.725) 5.514 53.508 ( -5.887 0.000 -3.594) 6.897 ======================= Grid point 93 (34/45) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 15.890 0.000 6.469) 17.157 2.103 ( 12.901 0.000 4.313) 13.603 2.192 ( 7.132 0.000 -8.475) 11.076 2.248 ( 7.148 0.000 -9.051) 11.533 2.418 ( 20.732 0.000 16.418) 26.445 2.653 ( 7.668 0.000 -6.231) 9.880 2.895 ( -7.864 0.000 -1.837) 8.075 2.929 ( -3.086 0.000 6.688) 7.365 2.962 ( 0.050 0.000 -2.753) 2.753 3.152 ( 7.250 0.000 -10.851) 13.050 3.251 ( 4.155 0.000 2.169) 4.687 3.265 ( -2.760 0.000 0.853) 2.889 3.380 ( 0.127 0.000 6.816) 6.817 3.402 ( -0.989 0.000 3.064) 3.219 3.439 ( 2.249 0.000 0.414) 2.287 3.502 ( -3.939 0.000 3.981) 5.601 3.532 ( -0.369 0.000 -5.511) 5.524 3.595 ( -2.353 0.000 -1.035) 2.570 3.620 ( -1.640 0.000 -1.775) 2.416 3.633 ( -4.475 0.000 -5.063) 6.757 3.768 ( -5.440 0.000 2.143) 5.847 3.799 ( -1.278 0.000 -1.668) 2.101 3.904 ( -10.365 0.000 9.053) 13.762 4.126 ( -9.025 0.000 -12.304) 15.260 4.355 ( 12.095 0.000 5.890) 13.452 4.481 ( 14.042 0.000 -6.479) 15.465 4.522 ( 2.336 0.000 6.052) 6.487 4.571 ( 4.839 0.000 -2.297) 5.356 4.588 ( 4.031 0.000 11.158) 11.864 4.690 ( 0.550 0.000 -1.839) 1.919 4.716 ( 2.881 0.000 6.660) 7.257 4.744 ( 6.555 0.000 13.930) 15.396 4.897 ( 6.759 0.000 -9.797) 11.902 4.979 ( -5.581 0.000 1.310) 5.733 4.994 ( 5.158 0.000 -9.380) 10.704 5.035 ( -3.392 0.000 -3.481) 4.860 5.141 ( -0.820 0.000 14.071) 14.094 5.336 ( 6.053 0.000 -3.097) 6.799 5.339 ( -7.572 0.000 4.728) 8.927 5.495 ( -5.042 0.000 -10.773) 11.895 5.538 ( 14.013 0.000 3.101) 14.352 5.561 ( 8.856 0.000 -6.197) 10.809 5.743 ( 2.820 0.000 1.123) 3.035 5.767 ( -1.599 0.000 7.702) 7.866 5.817 ( -2.834 0.000 -3.299) 4.349 5.848 ( 0.737 0.000 -1.357) 1.544 5.972 ( 4.980 0.000 3.381) 6.020 6.022 ( -1.089 0.000 0.260) 1.120 6.119 ( 6.231 0.000 3.115) 6.966 6.200 ( 1.470 0.000 -3.875) 4.144 6.344 ( -5.930 0.000 -1.631) 6.150 6.373 ( -0.834 0.000 3.416) 3.516 6.381 ( -14.075 0.000 1.728) 14.181 6.567 ( -2.666 0.000 -10.760) 11.085 6.662 ( -5.700 0.000 3.468) 6.672 6.752 ( -6.434 0.000 -5.573) 8.512 7.288 ( -5.991 0.000 7.209) 9.374 7.339 ( 0.011 0.000 9.215) 9.215 7.362 ( -4.066 0.000 -2.540) 4.794 7.529 ( -5.145 0.000 -7.987) 9.501 7.750 ( 13.284 0.000 14.749) 19.849 7.912 ( 5.493 0.000 8.127) 9.809 8.027 ( 20.555 0.000 -13.103) 24.376 8.161 ( 7.491 0.000 -17.824) 19.334 8.271 ( -8.954 0.000 21.076) 22.899 8.321 ( -10.526 0.000 21.511) 23.948 8.662 ( -12.866 0.000 -19.508) 23.369 8.746 ( -4.665 0.000 -21.212) 21.719 9.327 ( 5.947 0.000 17.643) 18.619 9.549 ( -5.770 0.000 9.218) 10.875 9.654 ( 3.013 0.000 -6.663) 7.312 9.710 ( 0.935 0.000 -9.491) 9.537 9.810 ( 4.229 0.000 -2.429) 4.877 9.889 ( -2.751 0.000 -10.284) 10.646 9.978 ( -5.783 0.000 -0.078) 5.784 10.127 ( -10.121 0.000 -10.027) 14.247 10.661 ( 4.046 0.000 17.308) 17.775 10.819 ( -5.383 0.000 8.107) 9.731 10.938 ( 4.205 0.000 -11.883) 12.605 10.966 ( -0.844 0.000 -7.546) 7.593 11.206 ( 2.574 0.000 6.621) 7.104 11.317 ( -0.789 0.000 -4.540) 4.608 11.327 ( -3.690 0.000 6.972) 7.888 11.459 ( -3.539 0.000 -6.206) 7.144 12.055 ( 2.005 0.000 17.763) 17.876 12.191 ( -4.572 0.000 11.777) 12.633 12.357 ( 2.322 0.000 -8.467) 8.780 12.416 ( -0.336 0.000 -15.956) 15.959 13.095 ( 3.460 0.000 7.492) 8.252 13.100 ( 6.253 0.000 2.219) 6.635 13.162 ( 3.928 0.000 -4.226) 5.770 13.233 ( 0.121 0.000 -6.006) 6.007 13.250 ( 4.265 0.000 6.534) 7.803 13.422 ( 1.434 0.000 -10.179) 10.279 13.531 ( -4.694 0.000 -2.267) 5.213 13.553 ( -8.959 0.000 -3.399) 9.582 14.156 ( 3.892 0.000 2.293) 4.517 14.158 ( 4.686 0.000 2.406) 5.267 14.282 ( -3.030 0.000 5.345) 6.144 14.331 ( -3.960 0.000 0.683) 4.018 14.519 ( 2.308 0.000 1.069) 2.544 14.555 ( 3.994 0.000 -2.096) 4.511 14.677 ( -5.659 0.000 5.215) 7.695 14.677 ( -1.550 0.000 2.712) 3.124 14.983 ( 2.219 0.000 6.048) 6.442 15.126 ( -5.519 0.000 4.866) 7.358 15.180 ( -1.000 0.000 -10.196) 10.245 15.251 ( -4.421 0.000 -9.544) 10.519 15.780 ( 2.937 0.000 3.551) 4.608 15.822 ( 2.751 0.000 -1.031) 2.938 15.908 ( -3.738 0.000 4.994) 6.238 16.005 ( -6.593 0.000 -4.550) 8.010 18.209 ( 11.043 0.000 1.017) 11.089 18.231 ( 10.741 0.000 -1.206) 10.808 18.387 ( 9.260 0.000 3.170) 9.788 18.469 ( 1.940 0.000 -4.417) 4.824 18.588 ( -2.380 0.000 0.998) 2.581 18.634 ( 2.736 0.000 -4.747) 5.479 18.738 ( -3.917 0.000 3.494) 5.249 18.821 ( -3.199 0.000 -5.249) 6.147 18.988 ( 1.544 0.000 5.254) 5.476 19.055 ( -1.761 0.000 4.914) 5.220 19.083 ( 2.027 0.000 -4.434) 4.876 19.142 ( -0.858 0.000 -4.009) 4.100 19.323 ( 3.107 0.000 3.116) 4.400 19.369 ( 2.990 0.000 -1.836) 3.509 19.512 ( -6.749 0.000 1.396) 6.892 19.519 ( -5.066 0.000 0.418) 5.083 31.795 ( 0.704 0.000 -0.085) 0.709 31.806 ( 0.719 0.000 -1.202) 1.401 31.828 ( -0.984 0.000 0.304) 1.030 31.841 ( -1.097 0.000 -1.128) 1.573 31.982 ( 0.727 0.000 1.641) 1.794 31.999 ( 0.612 0.000 -0.159) 0.633 32.010 ( -0.820 0.000 1.311) 1.547 32.022 ( -0.639 0.000 0.122) 0.651 52.264 ( 1.672 0.000 2.140) 2.716 52.304 ( 1.525 0.000 -2.011) 2.523 52.382 ( -4.129 0.000 4.228) 5.909 52.441 ( -5.733 0.000 -1.296) 5.877 53.119 ( 4.475 0.000 2.570) 5.161 53.183 ( 1.514 0.000 -3.652) 3.953 53.341 ( -5.473 0.000 1.801) 5.762 53.372 ( -7.779 0.000 -1.325) 7.891 ======================= Grid point 94 (35/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -1.828 0.000 -0.331) 1.858 2.261 ( 1.828 0.000 -0.331) 1.858 2.268 ( -7.240 0.000 -1.291) 7.354 2.268 ( 7.240 0.000 -1.291) 7.354 2.754 ( -5.099 0.000 -1.893) 5.439 2.754 ( 5.099 0.000 -1.893) 5.439 2.759 ( -13.540 0.000 -1.524) 13.626 2.759 ( 13.540 0.000 -1.524) 13.626 3.055 ( -12.259 0.000 14.839) 19.248 3.055 ( 12.259 0.000 14.839) 19.248 3.294 ( -4.876 0.000 -7.670) 9.089 3.294 ( 4.876 0.000 -7.670) 9.089 3.392 ( -5.525 0.000 5.069) 7.498 3.392 ( 5.525 0.000 5.069) 7.498 3.500 ( -7.466 0.000 -3.644) 8.308 3.500 ( 7.466 0.000 -3.644) 8.308 3.523 ( -5.611 0.000 -0.449) 5.629 3.523 ( 5.611 0.000 -0.449) 5.629 3.554 ( -2.867 0.000 -1.317) 3.154 3.554 ( 2.867 0.000 -1.317) 3.155 3.761 ( -4.188 0.000 4.626) 6.240 3.761 ( 4.188 0.000 4.626) 6.240 3.902 ( -10.879 0.000 -10.934) 15.424 3.902 ( 10.879 0.000 -10.934) 15.424 4.546 ( -3.620 0.000 7.827) 8.624 4.546 ( 3.620 0.000 7.827) 8.624 4.631 ( -2.628 0.000 -2.844) 3.872 4.631 ( 2.628 0.000 -2.844) 3.872 4.645 ( -8.285 0.000 4.887) 9.619 4.645 ( 8.285 0.000 4.887) 9.619 4.788 ( -12.129 0.000 -8.121) 14.597 4.788 ( 12.129 0.000 -8.121) 14.597 4.902 ( -6.408 0.000 10.003) 11.879 4.902 ( 6.408 0.000 10.003) 11.879 5.048 ( -2.010 0.000 -7.376) 7.645 5.048 ( 2.010 0.000 -7.376) 7.645 5.195 ( -7.202 0.000 13.468) 15.273 5.195 ( 7.202 0.000 13.468) 15.273 5.442 ( -3.008 0.000 -9.528) 9.992 5.442 ( 3.008 0.000 -9.528) 9.992 5.684 ( -4.367 0.000 6.767) 8.054 5.684 ( 4.367 0.000 6.767) 8.054 5.734 ( -6.732 0.000 0.954) 6.799 5.734 ( 6.732 0.000 0.954) 6.799 5.930 ( -7.957 0.000 2.415) 8.315 5.930 ( 7.957 0.000 2.415) 8.315 5.996 ( -12.459 0.000 -4.412) 13.217 5.996 ( 12.459 0.000 -4.412) 13.217 6.130 ( -2.642 0.000 4.376) 5.112 6.130 ( 2.642 0.000 4.376) 5.112 6.228 ( -3.068 0.000 -5.263) 6.092 6.228 ( 3.068 0.000 -5.263) 6.092 6.502 ( -10.791 0.000 2.581) 11.095 6.502 ( 10.791 0.000 2.581) 11.095 6.621 ( -6.010 0.000 -8.764) 10.627 6.621 ( 6.010 0.000 -8.764) 10.627 7.276 ( -4.149 0.000 6.882) 8.036 7.276 ( 4.149 0.000 6.882) 8.036 7.396 ( -6.843 0.000 -5.237) 8.617 7.396 ( 6.843 0.000 -5.237) 8.617 7.913 ( -4.826 0.000 14.694) 15.466 7.913 ( 4.826 0.000 14.694) 15.466 8.218 ( -4.801 0.000 21.191) 21.728 8.218 ( 4.801 0.000 21.191) 21.728 8.235 ( -1.896 0.000 -18.903) 18.998 8.235 ( 1.896 0.000 -18.903) 18.998 8.621 ( -7.364 0.000 -19.917) 21.235 8.621 ( 7.364 0.000 -19.917) 21.235 9.438 ( -5.833 0.000 14.107) 15.265 9.438 ( 5.833 0.000 14.107) 15.265 9.704 ( -1.891 0.000 -6.547) 6.814 9.704 ( 1.891 0.000 -6.547) 6.814 9.883 ( -2.917 0.000 -6.693) 7.301 9.883 ( 2.917 0.000 -6.693) 7.301 9.936 ( -9.060 0.000 -6.451) 11.122 9.936 ( 9.060 0.000 -6.451) 11.122 10.727 ( -3.784 0.000 14.405) 14.894 10.727 ( 3.784 0.000 14.405) 14.894 10.958 ( -1.606 0.000 -10.131) 10.257 10.958 ( 1.606 0.000 -10.131) 10.257 11.265 ( -3.347 0.000 5.987) 6.859 11.265 ( 3.347 0.000 5.987) 6.859 11.376 ( -5.181 0.000 -5.204) 7.343 11.376 ( 5.181 0.000 -5.204) 7.343 12.110 ( -3.754 0.000 16.120) 16.551 12.110 ( 3.754 0.000 16.120) 16.551 12.396 ( -1.676 0.000 -12.791) 12.900 12.396 ( 1.676 0.000 -12.791) 12.900 13.154 ( -2.516 0.000 3.858) 4.606 13.154 ( 2.516 0.000 3.858) 4.606 13.197 ( -3.752 0.000 -0.672) 3.812 13.197 ( 3.752 0.000 -0.672) 3.812 13.389 ( -8.383 0.000 -0.959) 8.438 13.389 ( 8.383 0.000 -0.959) 8.438 13.461 ( -2.802 0.000 -7.696) 8.190 13.461 ( 2.802 0.000 -7.696) 8.190 14.224 ( -3.260 0.000 3.839) 5.037 14.224 ( 3.260 0.000 3.839) 5.037 14.249 ( -4.685 0.000 1.761) 5.005 14.249 ( 4.685 0.000 1.761) 5.005 14.580 ( -4.219 0.000 4.090) 5.876 14.580 ( 4.219 0.000 4.090) 5.876 14.628 ( -3.438 0.000 -0.862) 3.544 14.628 ( 3.438 0.000 -0.862) 3.544 15.039 ( -3.697 0.000 4.928) 6.160 15.039 ( 3.697 0.000 4.928) 6.160 15.189 ( -1.969 0.000 -10.009) 10.201 15.189 ( 1.969 0.000 -10.009) 10.201 15.840 ( -3.391 0.000 3.673) 4.999 15.840 ( 3.391 0.000 3.673) 4.999 15.895 ( -4.887 0.000 -1.825) 5.216 15.895 ( 4.887 0.000 -1.825) 5.216 18.392 ( -7.771 0.000 0.265) 7.776 18.392 ( 7.771 0.000 0.265) 7.776 18.403 ( -6.523 0.000 -1.020) 6.602 18.403 ( 6.523 0.000 -1.020) 6.602 18.635 ( -6.258 0.000 3.991) 7.422 18.635 ( 6.258 0.000 3.991) 7.422 18.734 ( -5.640 0.000 -6.417) 8.544 18.734 ( 5.640 0.000 -6.417) 8.544 19.020 ( -1.821 0.000 5.413) 5.711 19.020 ( 1.821 0.000 5.413) 5.711 19.119 ( -1.595 0.000 -4.664) 4.929 19.119 ( 1.595 0.000 -4.664) 4.929 19.400 ( -5.034 0.000 2.647) 5.688 19.400 ( 5.034 0.000 2.647) 5.688 19.434 ( -3.882 0.000 -1.058) 4.023 19.434 ( 3.882 0.000 -1.058) 4.023 31.810 ( -0.864 0.000 0.060) 0.866 31.810 ( 0.864 0.000 0.060) 0.866 31.822 ( -0.940 0.000 -1.168) 1.499 31.822 ( 0.940 0.000 -1.168) 1.499 31.995 ( -0.725 0.000 1.508) 1.673 31.995 ( 0.725 0.000 1.508) 1.673 32.010 ( -0.597 0.000 -0.016) 0.597 32.010 ( 0.597 0.000 -0.016) 0.597 52.310 ( -3.214 0.000 2.625) 4.150 52.310 ( 3.214 0.000 2.625) 4.150 52.353 ( -3.582 0.000 -1.634) 3.937 52.353 ( 3.582 0.000 -1.634) 3.937 53.229 ( -6.925 0.000 0.626) 6.954 53.229 ( 6.925 0.000 0.626) 6.954 53.243 ( -4.493 0.000 -0.758) 4.556 53.243 ( 4.493 0.000 -0.758) 4.556 ======================= Grid point 99 (36/45) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 11.636 29.321) 31.545 1.548 ( 0.000 1.882 33.743) 33.796 1.748 ( 0.000 5.975 15.085) 16.226 2.048 ( 0.000 3.598 -24.642) 24.903 2.134 ( 0.000 2.853 -22.149) 22.332 2.169 ( 0.000 -8.742 -30.227) 31.466 2.480 ( 0.000 -9.617 8.993) 13.167 2.661 ( 0.000 -5.440 -9.519) 10.964 2.842 ( 0.000 2.863 6.992) 7.555 2.854 ( 0.000 29.772 24.793) 38.743 3.041 ( 0.000 -1.704 -13.242) 13.351 3.062 ( 0.000 8.337 -2.604) 8.734 3.368 ( 0.000 1.715 4.011) 4.362 3.379 ( 0.000 1.173 6.458) 6.564 3.455 ( 0.000 -6.801 0.762) 6.844 3.456 ( 0.000 2.791 -4.736) 5.497 3.520 ( 0.000 -4.453 0.066) 4.453 3.540 ( 0.000 -2.722 1.841) 3.285 3.572 ( 0.000 -2.236 -1.584) 2.740 3.598 ( 0.000 -0.455 -6.672) 6.688 3.752 ( 0.000 -1.001 5.969) 6.053 3.834 ( 0.000 1.059 0.393) 1.130 3.857 ( 0.000 4.147 -1.672) 4.471 3.857 ( 0.000 1.975 -5.063) 5.434 4.158 ( 0.000 -7.945 11.125) 13.670 4.279 ( 0.000 -7.548 12.188) 14.336 4.376 ( 0.000 -8.515 -10.382) 13.427 4.563 ( 0.000 -14.082 6.786) 15.632 4.648 ( 0.000 -13.199 -12.601) 18.248 4.669 ( 0.000 -3.618 -12.045) 12.577 4.739 ( 0.000 6.871 0.490) 6.888 4.758 ( 0.000 2.736 -0.893) 2.878 4.873 ( 0.000 5.214 9.686) 11.000 5.033 ( 0.000 11.789 -6.350) 13.390 5.059 ( 0.000 0.641 10.275) 10.295 5.185 ( 0.000 6.122 -2.474) 6.603 5.403 ( 0.000 -4.856 6.871) 8.414 5.413 ( 0.000 0.593 13.863) 13.876 5.447 ( 0.000 2.726 3.083) 4.115 5.506 ( 0.000 1.046 -4.387) 4.510 5.594 ( 0.000 -0.344 3.799) 3.815 5.680 ( 0.000 -1.785 12.987) 13.109 5.721 ( 0.000 -0.341 -6.466) 6.475 5.779 ( 0.000 -5.223 9.082) 10.477 5.802 ( 0.000 5.303 -0.993) 5.395 5.921 ( 0.000 7.027 -6.654) 9.678 6.008 ( 0.000 11.240 -9.827) 14.930 6.077 ( 0.000 -2.484 -18.945) 19.107 6.095 ( 0.000 2.593 1.388) 2.941 6.205 ( 0.000 4.467 -6.459) 7.853 6.406 ( 0.000 8.557 2.527) 8.923 6.469 ( 0.000 14.656 -5.716) 15.732 6.494 ( 0.000 -11.731 3.944) 12.376 6.535 ( 0.000 -7.311 -0.406) 7.323 6.947 ( 0.000 -2.657 10.102) 10.445 6.976 ( 0.000 -1.451 -1.880) 2.375 7.032 ( 0.000 -0.553 -7.828) 7.848 7.087 ( 0.000 -1.777 -1.877) 2.585 7.157 ( 0.000 -5.432 9.016) 10.526 7.429 ( 0.000 -8.737 -17.155) 19.252 7.522 ( 0.000 5.774 8.213) 10.039 7.630 ( 0.000 5.715 -3.033) 6.470 8.149 ( 0.000 -15.952 17.593) 23.748 8.297 ( 0.000 14.045 10.846) 17.745 8.396 ( 0.000 11.984 1.407) 12.066 8.487 ( 0.000 -21.585 -14.126) 25.797 8.892 ( 0.000 -1.548 8.902) 9.035 9.092 ( 0.000 -6.229 -5.646) 8.407 9.498 ( 0.000 4.537 8.562) 9.690 9.548 ( 0.000 3.835 13.283) 13.826 9.679 ( 0.000 -1.713 -3.432) 3.835 9.802 ( 0.000 5.053 1.313) 5.221 9.812 ( 0.000 0.463 -13.536) 13.544 9.970 ( 0.000 3.525 -18.003) 18.345 10.000 ( 0.000 -3.143 11.210) 11.642 10.277 ( 0.000 -10.734 -15.876) 19.164 10.513 ( 0.000 -10.184 5.112) 11.395 10.587 ( 0.000 -6.968 3.339) 7.726 10.622 ( 0.000 -6.895 -7.109) 9.904 10.666 ( 0.000 -3.003 -5.015) 5.846 11.212 ( 0.000 8.442 12.540) 15.117 11.452 ( 0.000 12.808 -11.982) 17.539 11.587 ( 0.000 -0.802 21.251) 21.266 11.911 ( 0.000 0.180 -9.647) 9.649 12.126 ( 0.000 3.445 6.629) 7.471 12.233 ( 0.000 -0.998 9.294) 9.348 12.348 ( 0.000 -2.648 -18.229) 18.420 12.408 ( 0.000 -2.686 -8.110) 8.543 12.753 ( 0.000 0.916 0.503) 1.045 12.792 ( 0.000 1.951 -4.471) 4.878 13.000 ( 0.000 -6.060 4.030) 7.278 13.074 ( 0.000 -5.677 -4.251) 7.092 13.097 ( 0.000 9.442 17.318) 19.725 13.419 ( 0.000 4.756 -16.072) 16.761 13.847 ( 0.000 -7.979 5.860) 9.900 13.892 ( 0.000 2.299 10.830) 11.071 13.922 ( 0.000 -6.078 -2.304) 6.500 14.073 ( 0.000 2.473 -8.368) 8.726 14.238 ( 0.000 -4.252 6.530) 7.793 14.311 ( 0.000 -5.872 -1.150) 5.983 14.664 ( 0.000 3.187 5.491) 6.348 14.670 ( 0.000 12.408 8.574) 15.082 14.722 ( 0.000 4.099 -0.534) 4.134 14.890 ( 0.000 8.262 -10.483) 13.348 15.122 ( 0.000 10.307 6.790) 12.342 15.359 ( 0.000 5.490 -14.016) 15.053 15.383 ( 0.000 -3.837 3.717) 5.342 15.432 ( 0.000 -2.442 -0.644) 2.525 15.644 ( 0.000 -10.550 11.459) 15.576 15.806 ( 0.000 -9.201 -5.555) 10.748 15.989 ( 0.000 -4.795 8.571) 9.821 16.211 ( 0.000 -5.844 -13.561) 14.767 17.733 ( 0.000 0.272 1.063) 1.097 17.748 ( 0.000 -0.048 0.812) 0.814 17.754 ( 0.000 0.266 -1.151) 1.181 17.763 ( 0.000 -0.051 -0.778) 0.780 18.715 ( 0.000 0.084 2.850) 2.851 18.724 ( 0.000 -0.049 0.339) 0.343 18.732 ( 0.000 0.683 -0.561) 0.884 18.766 ( 0.000 -0.165 -2.493) 2.498 18.959 ( 0.000 0.173 4.946) 4.949 19.051 ( 0.000 0.147 -4.468) 4.470 19.081 ( 0.000 -3.555 4.605) 5.818 19.155 ( 0.000 -1.735 -3.256) 3.690 19.300 ( 0.000 5.617 1.901) 5.929 19.332 ( 0.000 6.355 -1.430) 6.514 19.725 ( 0.000 -4.001 4.816) 6.261 19.813 ( 0.000 -5.214 -3.863) 6.489 31.809 ( 0.000 2.245 0.397) 2.280 31.826 ( 0.000 2.247 -1.221) 2.557 31.900 ( 0.000 -0.665 0.988) 1.191 31.919 ( 0.000 -1.321 -1.113) 1.727 31.925 ( 0.000 2.658 1.507) 3.056 31.943 ( 0.000 2.585 -0.247) 2.597 32.045 ( 0.000 -0.117 0.919) 0.926 32.051 ( 0.000 0.209 0.232) 0.313 52.347 ( 0.000 7.372 4.355) 8.563 52.442 ( 0.000 10.296 -5.189) 11.530 52.524 ( 0.000 0.179 10.699) 10.700 52.749 ( 0.000 0.693 -12.386) 12.406 53.307 ( 0.000 -2.728 1.803) 3.270 53.365 ( 0.000 -2.575 -3.572) 4.404 53.397 ( 0.000 -4.424 5.071) 6.730 53.487 ( 0.000 -2.411 -4.193) 4.837 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 6.560 6.503 24.356) 26.049 1.762 ( 12.234 4.818 25.280) 28.495 1.804 ( 8.677 9.685 17.120) 21.499 1.985 ( -1.977 -0.288 -22.274) 22.363 2.147 ( 3.168 1.582 -20.408) 20.713 2.327 ( 11.285 1.177 -24.241) 26.765 2.604 ( 9.277 -6.575 4.467) 12.217 2.723 ( 5.098 -6.710 -5.748) 10.200 2.858 ( 1.452 0.648 5.222) 5.458 2.917 ( 6.561 14.333 11.691) 19.625 3.045 ( 2.079 1.978 -4.290) 5.161 3.118 ( 5.058 2.986 -4.894) 7.645 3.386 ( 1.945 1.677 4.869) 5.504 3.416 ( 2.986 -1.081 4.430) 5.450 3.464 ( 2.420 -1.481 0.500) 2.881 3.503 ( 2.082 -1.791 -1.144) 2.975 3.527 ( -0.415 -3.755 -0.499) 3.811 3.542 ( 1.793 -3.833 0.225) 4.238 3.587 ( 4.908 -1.163 1.951) 5.408 3.633 ( 1.727 2.378 0.241) 2.949 3.764 ( -1.944 -4.204 0.072) 4.632 3.794 ( -2.701 2.178 -2.439) 4.241 3.957 ( 13.062 3.842 0.556) 13.627 3.983 ( 8.031 5.154 -1.235) 9.622 4.182 ( -3.000 -9.589 7.100) 12.303 4.239 ( 3.477 -5.894 10.812) 12.796 4.400 ( -0.243 -6.828 -8.141) 10.628 4.446 ( -9.487 -10.312 -7.552) 15.918 4.515 ( -3.780 -8.423 3.360) 9.825 4.605 ( -5.509 -1.122 -0.445) 5.640 4.754 ( -0.604 6.483 1.891) 6.780 4.822 ( 0.713 2.763 3.723) 4.691 4.871 ( 2.615 5.006 -3.841) 6.830 4.941 ( -3.915 9.334 -6.935) 12.270 5.105 ( -0.833 -0.151 6.459) 6.514 5.180 ( -2.626 2.814 -0.183) 3.853 5.287 ( -7.611 0.968 8.592) 11.519 5.337 ( -2.726 -0.040 1.227) 2.990 5.436 ( -5.998 -0.479 3.062) 6.752 5.528 ( -3.139 3.553 1.698) 5.035 5.598 ( -1.431 -0.779 -2.301) 2.820 5.631 ( 0.618 -0.784 -2.658) 2.839 5.734 ( 1.550 2.359 3.315) 4.353 5.743 ( 2.206 1.341 5.454) 6.034 5.829 ( -1.768 8.441 -8.143) 11.861 5.947 ( -2.808 4.172 -9.223) 10.505 5.997 ( 7.153 4.320 8.441) 11.877 6.117 ( 3.141 3.583 5.292) 7.121 6.159 ( -1.669 5.115 -1.478) 5.580 6.254 ( -0.039 -0.302 -8.052) 8.058 6.317 ( 1.403 -0.240 -3.041) 3.357 6.415 ( -0.155 2.226 -5.744) 6.163 6.568 ( 2.298 6.063 8.880) 10.995 6.725 ( 10.722 -4.215 -1.992) 11.692 6.808 ( -6.154 -5.603 -0.588) 8.343 6.853 ( -5.677 5.122 -8.719) 11.597 7.092 ( 3.881 -6.425 9.519) 12.122 7.203 ( 6.771 -2.554 -1.700) 7.434 7.229 ( 6.169 -3.324 3.986) 8.062 7.418 ( 0.848 -6.820 -7.919) 10.486 7.634 ( 6.560 2.450 1.018) 7.076 7.691 ( 6.183 1.835 -3.700) 7.435 7.903 ( -16.957 2.656 9.805) 19.767 8.027 ( -17.385 0.367 -0.763) 17.405 8.371 ( -0.006 1.861 14.562) 14.680 8.665 ( 5.234 -12.043 -15.357) 20.206 8.957 ( 5.721 -1.394 15.619) 16.692 9.174 ( -0.298 -4.101 -1.994) 4.570 9.277 ( -15.087 -1.850 11.038) 18.785 9.470 ( -13.512 -0.323 -7.192) 15.310 9.630 ( 0.662 1.541 1.566) 2.294 9.764 ( -1.690 0.989 -5.553) 5.888 9.802 ( -2.265 4.038 -4.636) 6.552 9.953 ( -0.460 -0.397 -13.848) 13.861 10.059 ( 1.805 -3.252 6.497) 7.487 10.265 ( -2.280 -12.253 -10.323) 16.183 10.436 ( -0.239 -5.809 4.627) 7.431 10.568 ( 1.590 -1.560 -9.045) 9.315 10.774 ( 11.381 -7.352 5.738) 14.714 10.878 ( 12.356 -6.535 -4.575) 14.708 11.216 ( 0.834 9.310 9.997) 13.686 11.433 ( -1.592 12.855 -11.480) 17.308 11.593 ( -0.242 2.019 17.339) 17.458 11.842 ( -6.828 4.044 -6.432) 10.215 12.074 ( -3.751 2.037 10.226) 11.081 12.251 ( 1.142 -1.859 5.060) 5.510 12.344 ( -0.505 -3.636 -16.947) 17.340 12.353 ( -4.419 -2.798 -6.531) 8.367 12.818 ( 6.063 -0.605 0.668) 6.130 12.837 ( 4.329 0.258 -0.833) 4.416 13.055 ( 2.336 -2.200 2.444) 4.033 13.079 ( 4.024 -1.740 -1.357) 4.589 13.134 ( 2.676 2.719 9.421) 10.164 13.413 ( -0.669 3.506 -15.033) 15.451 13.776 ( -6.778 -3.296 5.315) 9.223 13.804 ( -6.159 -6.184 2.140) 8.987 13.990 ( 4.037 -1.078 3.585) 5.506 14.074 ( 1.306 3.548 -4.693) 6.027 14.286 ( 3.559 -4.302 4.725) 7.314 14.340 ( 2.876 -5.285 -0.624) 6.050 14.600 ( -4.919 8.378 3.261) 10.248 14.618 ( -5.316 4.345 1.633) 7.057 14.728 ( -0.039 6.503 6.496) 9.192 14.899 ( -0.175 5.610 -9.905) 11.384 15.067 ( -4.414 7.599 12.135) 14.983 15.305 ( -3.914 2.669 -7.186) 8.607 15.366 ( -5.304 -1.766 1.603) 5.816 15.381 ( -1.981 -2.101 -4.771) 5.577 15.658 ( 1.768 -5.115 7.360) 9.136 15.775 ( -2.000 -6.043 -4.645) 7.880 15.982 ( -1.302 -4.990 8.003) 9.521 16.178 ( -3.609 -6.045 -11.586) 13.558 17.808 ( 7.580 0.301 1.230) 7.685 17.831 ( 8.042 0.341 -0.780) 8.086 17.866 ( 11.188 -1.146 1.934) 11.411 17.939 ( 15.377 -2.762 -5.877) 16.692 18.690 ( -1.645 0.894 0.875) 2.067 18.700 ( -1.909 0.814 -0.274) 2.094 18.753 ( 1.239 -0.597 1.824) 2.284 18.797 ( 2.020 -1.178 -2.504) 3.427 18.962 ( 0.415 0.487 4.748) 4.791 19.046 ( -0.286 0.054 -3.091) 3.105 19.089 ( 0.787 -2.264 3.454) 4.204 19.160 ( 0.529 -1.205 -3.271) 3.526 19.299 ( -0.097 4.817 1.917) 5.186 19.330 ( -0.177 5.260 -1.294) 5.420 19.687 ( -3.746 -3.562 4.090) 6.592 19.757 ( -5.368 -4.112 -2.681) 7.274 31.806 ( -0.275 2.055 0.291) 2.094 31.820 ( -0.442 2.017 -1.116) 2.347 31.875 ( -1.511 0.249 0.723) 1.693 31.891 ( -1.667 -0.206 -0.889) 1.900 31.953 ( 1.549 1.458 1.364) 2.527 31.967 ( 1.472 1.089 -0.032) 1.831 32.042 ( -0.344 0.004 0.817) 0.887 32.046 ( -0.497 0.160 0.310) 0.607 52.342 ( -0.438 7.300 3.859) 8.269 52.428 ( -1.374 10.122 -4.809) 11.290 52.515 ( -1.079 0.647 9.967) 10.046 52.719 ( -3.586 1.598 -10.736) 11.431 53.163 ( -9.299 0.324 6.539) 11.372 53.270 ( -6.387 -1.939 -4.364) 7.975 53.418 ( -0.443 -5.566 4.538) 7.195 53.514 ( -0.735 -4.824 -5.311) 7.212 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 14.125 3.470 11.427) 18.497 1.941 ( 9.010 -2.675 5.535) 10.908 2.003 ( 8.054 6.496 -4.268) 11.193 2.084 ( 12.670 11.011 13.199) 21.354 2.266 ( 8.848 3.214 -10.709) 14.258 2.518 ( 7.844 5.393 -17.103) 19.573 2.775 ( 8.254 -6.245 1.351) 10.438 2.811 ( 3.741 -7.761 -0.419) 8.625 2.883 ( 2.857 -3.785 0.957) 4.838 3.000 ( 0.598 -6.496 -8.483) 10.702 3.163 ( 7.226 2.402 2.663) 8.067 3.219 ( 4.523 -2.094 -2.970) 5.802 3.405 ( -0.524 -0.734 5.124) 5.203 3.427 ( -3.230 -0.463 1.765) 3.710 3.488 ( -3.176 -3.598 1.862) 5.148 3.505 ( 1.730 -5.163 0.020) 5.445 3.585 ( 1.040 0.772 1.315) 1.846 3.588 ( 1.693 -2.259 0.293) 2.839 3.609 ( -1.953 0.866 -0.725) 2.256 3.656 ( -4.287 1.941 -5.075) 6.921 3.755 ( 8.758 1.296 6.004) 10.697 3.797 ( 2.726 2.268 0.838) 3.644 4.062 ( -0.181 -2.359 7.442) 7.809 4.178 ( 5.265 -0.690 3.629) 6.431 4.235 ( -6.953 -5.940 -7.259) 11.675 4.266 ( 11.639 0.057 -4.752) 12.572 4.345 ( 8.340 -6.315 5.270) 11.714 4.461 ( 2.408 -6.272 -3.622) 7.633 4.525 ( 2.451 4.695 9.410) 10.798 4.560 ( 8.928 7.438 7.372) 13.761 4.791 ( 1.037 6.847 2.072) 7.229 4.836 ( -0.860 1.067 0.486) 1.454 4.870 ( -0.509 5.730 2.805) 6.400 4.889 ( -1.637 3.219 -5.306) 6.418 5.076 ( 1.614 -1.910 2.271) 3.378 5.115 ( -2.558 2.835 0.366) 3.836 5.187 ( -1.924 1.815 -0.027) 2.645 5.302 ( -2.186 -0.577 -2.830) 3.622 5.342 ( -1.089 4.521 -1.794) 4.984 5.412 ( -5.060 -1.829 -2.819) 6.074 5.537 ( -5.301 0.371 5.786) 7.856 5.630 ( -2.276 1.201 -2.748) 3.765 5.764 ( 1.562 2.397 -1.905) 3.437 5.811 ( 1.260 7.274 -1.838) 7.608 5.828 ( 2.043 6.043 -3.071) 7.080 5.898 ( -1.982 3.592 -4.730) 6.262 6.059 ( -0.731 7.020 5.195) 8.763 6.098 ( 2.272 6.228 5.357) 8.523 6.171 ( -3.870 7.136 3.665) 8.907 6.236 ( 2.382 3.389 -0.811) 4.221 6.397 ( 2.162 -3.839 -1.071) 4.534 6.425 ( 2.838 4.065 -4.308) 6.568 6.557 ( -3.821 6.602 7.843) 10.941 6.655 ( -8.096 -6.707 -0.958) 10.557 6.806 ( 0.975 2.426 -1.849) 3.203 6.893 ( 1.118 6.211 -10.633) 12.365 7.201 ( 6.034 -7.456 12.254) 15.561 7.295 ( 3.002 -10.386 5.256) 12.021 7.374 ( 0.966 -7.927 -1.592) 8.143 7.451 ( 0.433 -9.033 -5.092) 10.379 7.585 ( -3.146 2.901 4.879) 6.489 7.702 ( 4.271 4.339 -7.091) 9.347 7.841 ( 6.441 6.529 4.929) 10.412 7.970 ( 9.782 -0.389 -8.562) 13.005 8.354 ( -1.374 0.679 16.707) 16.777 8.680 ( -4.576 -6.836 -14.556) 16.720 8.804 ( -21.613 4.565 9.858) 24.190 9.017 ( -6.418 1.157 4.694) 8.035 9.095 ( -9.310 -9.753 4.461) 14.202 9.323 ( -1.515 -15.059 -6.195) 16.354 9.622 ( -1.485 -1.656 -4.098) 4.663 9.659 ( -8.595 -7.821 -9.750) 15.170 9.812 ( 2.138 3.136 -0.528) 3.832 9.929 ( -2.517 -2.329 -12.041) 12.520 10.042 ( -2.845 -2.652 7.688) 8.616 10.206 ( -3.749 -8.350 -7.255) 11.679 10.504 ( 6.367 -2.656 7.884) 10.476 10.670 ( 8.177 -2.328 -8.888) 12.300 10.940 ( 4.946 -3.210 6.916) 9.088 11.036 ( 3.743 -2.937 -0.040) 4.758 11.253 ( 2.664 10.948 3.427) 11.777 11.414 ( 0.070 11.241 -10.240) 15.206 11.552 ( -3.735 8.248 10.126) 13.584 11.682 ( -9.038 9.123 -2.244) 13.036 12.031 ( -0.593 -0.272 14.683) 14.697 12.231 ( -4.050 -4.012 3.891) 6.902 12.299 ( 0.852 -1.910 -2.992) 3.651 12.354 ( 0.758 -5.041 -18.367) 19.061 12.919 ( 4.612 -1.735 3.919) 6.297 12.963 ( 7.851 -3.626 -0.437) 8.659 13.087 ( 1.933 -1.414 3.218) 4.011 13.169 ( 2.605 2.299 1.186) 3.672 13.208 ( 6.005 -1.429 -1.970) 6.479 13.394 ( -1.268 0.773 -11.919) 12.012 13.637 ( -7.197 -1.786 2.504) 7.827 13.667 ( -7.635 -5.359 -0.608) 9.348 14.072 ( 4.658 0.477 4.196) 6.288 14.127 ( 3.753 4.002 -1.781) 5.768 14.339 ( 1.599 -2.017 4.610) 5.280 14.405 ( 3.298 -3.918 -1.157) 5.251 14.488 ( -5.751 5.868 2.814) 8.685 14.529 ( -3.518 2.912 -1.284) 4.744 14.706 ( -2.193 2.339 8.008) 8.626 14.842 ( -5.666 1.941 -4.186) 7.307 15.018 ( -0.280 5.569 10.881) 12.227 15.228 ( -4.147 2.477 -4.167) 6.380 15.265 ( -4.604 0.876 -0.417) 4.705 15.320 ( -3.927 -1.576 -8.508) 9.502 15.706 ( 2.976 -1.705 4.240) 5.453 15.764 ( 0.904 -2.408 -2.164) 3.362 15.939 ( -2.934 -3.940 6.228) 7.932 16.081 ( -6.109 -5.282 -7.844) 11.258 17.995 ( 11.393 0.487 1.460) 11.497 18.025 ( 11.561 0.851 -1.229) 11.657 18.119 ( 14.068 -2.559 3.585) 14.742 18.241 ( 14.623 -4.651 -9.171) 17.877 18.650 ( -2.668 0.754 0.354) 2.795 18.659 ( -2.607 1.343 -0.516) 2.978 18.759 ( -0.922 -1.691 2.686) 3.305 18.818 ( -0.256 -2.490 -3.328) 4.164 18.981 ( 1.669 1.424 4.247) 4.780 19.048 ( 0.557 0.543 -1.164) 1.400 19.108 ( 1.115 0.406 2.170) 2.473 19.172 ( 0.584 0.546 -3.328) 3.422 19.299 ( 0.355 2.600 2.030) 3.318 19.329 ( 0.241 2.290 -0.883) 2.466 19.597 ( -5.387 -2.726 2.473) 6.525 19.634 ( -7.011 -2.332 -1.023) 7.460 31.802 ( -0.006 1.483 0.038) 1.483 31.814 ( -0.185 1.401 -1.042) 1.756 31.850 ( -1.161 0.195 0.348) 1.228 31.863 ( -1.251 -0.132 -1.038) 1.631 31.976 ( 0.886 1.030 1.576) 2.080 31.989 ( 0.833 0.570 0.283) 1.048 32.031 ( -0.753 0.283 0.772) 1.115 32.035 ( -0.562 0.034 0.357) 0.667 52.337 ( 0.059 7.103 2.697) 7.598 52.399 ( -1.443 9.307 -3.512) 10.052 52.481 ( -2.421 2.092 7.559) 8.209 52.612 ( -6.822 3.771 -4.630) 9.066 53.060 ( -1.313 -0.677 5.109) 5.318 53.170 ( -3.489 -2.070 -5.374) 6.734 53.372 ( -4.064 -6.005 3.671) 8.127 53.444 ( -6.022 -5.938 -3.642) 9.208 ======================= Grid point 102 (39/45) ======================= q-point: ( 0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 16.425 1.253 1.139) 16.512 2.097 ( 8.856 -4.112 -3.187) 10.271 2.182 ( 7.469 5.672 6.079) 11.176 2.317 ( 9.674 4.018 -1.832) 10.635 2.446 ( 9.903 1.673 3.974) 10.801 2.638 ( 4.741 -0.818 -8.825) 10.051 2.772 ( -3.826 -9.532 2.074) 10.479 2.867 ( -8.706 -7.338 -7.000) 13.365 2.932 ( 4.527 -1.942 4.679) 6.794 3.072 ( 9.113 -4.046 -7.075) 12.226 3.219 ( -3.598 -5.652 2.839) 7.276 3.251 ( 0.514 -4.533 -1.193) 4.715 3.336 ( -2.347 0.582 5.871) 6.350 3.405 ( -0.374 0.177 0.052) 0.417 3.447 ( 1.426 -0.790 2.144) 2.694 3.488 ( -1.938 -2.605 -1.569) 3.605 3.523 ( -2.872 2.224 -3.200) 4.841 3.560 ( -1.691 0.616 -3.213) 3.683 3.641 ( 0.899 0.804 0.470) 1.295 3.667 ( 1.029 2.194 -2.480) 3.467 3.791 ( -1.473 -0.315 4.186) 4.449 3.842 ( -1.212 0.419 -0.189) 1.296 3.943 ( -6.777 2.953 4.655) 8.736 4.086 ( -9.160 -3.648 -9.329) 13.573 4.417 ( 11.213 1.624 4.383) 12.148 4.457 ( 9.589 -2.667 0.068) 9.953 4.480 ( 10.598 -0.198 4.125) 11.374 4.514 ( 2.732 -3.193 0.806) 4.279 4.671 ( -2.235 6.850 4.478) 8.483 4.678 ( -6.290 1.747 2.273) 6.913 4.740 ( 8.485 6.443 9.699) 14.408 4.854 ( -0.337 -0.954 2.336) 2.545 4.899 ( 6.612 -0.206 2.123) 6.948 4.954 ( 7.422 4.976 -5.353) 10.416 5.031 ( -1.482 7.668 8.057) 11.220 5.179 ( -0.567 9.164 -6.519) 11.261 5.202 ( 3.246 1.720 6.992) 7.898 5.323 ( 1.630 -2.718 4.861) 5.803 5.369 ( 8.106 -1.599 -2.558) 8.649 5.458 ( -0.873 3.087 3.163) 4.505 5.480 ( 12.348 -6.819 -8.745) 16.597 5.573 ( -1.334 6.028 -8.663) 10.638 5.762 ( -2.113 3.988 3.618) 5.784 5.814 ( -0.939 3.499 0.038) 3.623 5.842 ( 0.769 3.310 -5.226) 6.234 5.878 ( -0.957 5.853 -3.620) 6.948 6.034 ( -8.169 -0.613 2.379) 8.530 6.050 ( -2.136 0.607 0.206) 2.230 6.184 ( 2.879 7.768 6.602) 10.594 6.252 ( 0.357 5.432 -0.428) 5.460 6.379 ( -10.927 2.575 3.992) 11.915 6.435 ( 1.121 5.125 7.872) 9.460 6.477 ( -3.867 6.756 -7.418) 10.753 6.561 ( 3.612 1.488 0.148) 3.909 6.802 ( -2.490 9.430 -6.449) 11.692 6.850 ( -4.069 6.324 -7.701) 10.763 7.208 ( -3.872 -7.502 6.671) 10.760 7.279 ( -4.088 -6.848 -0.707) 8.007 7.309 ( 0.952 -5.178 4.775) 7.108 7.415 ( -2.699 -8.709 -2.880) 9.561 7.747 ( 12.735 0.717 12.426) 17.808 7.920 ( 5.336 1.540 5.065) 7.516 8.026 ( 15.506 0.119 -9.098) 17.978 8.146 ( 7.443 -0.466 -7.772) 10.771 8.328 ( -1.932 2.685 15.869) 16.210 8.357 ( -14.983 5.427 11.825) 19.844 8.678 ( -2.548 -5.111 -17.881) 18.771 8.720 ( -13.929 5.402 -17.833) 23.264 9.084 ( 1.188 -19.272 17.215) 25.869 9.270 ( -4.595 -20.034 4.446) 21.030 9.491 ( -7.132 -18.303 -12.502) 23.284 9.566 ( -5.006 -11.277 -13.605) 18.367 9.843 ( 1.108 1.567 -0.325) 1.947 9.903 ( 1.444 0.620 -6.434) 6.623 9.970 ( -4.227 0.901 5.398) 6.915 10.109 ( -6.405 -1.870 -7.830) 10.287 10.655 ( 8.725 0.308 12.185) 14.989 10.824 ( 6.382 -1.724 -3.230) 7.358 10.951 ( -2.421 1.882 5.074) 5.929 11.048 ( -1.986 -1.090 -0.448) 2.309 11.307 ( 3.454 12.632 3.385) 13.526 11.424 ( 0.067 10.054 -5.028) 11.241 11.487 ( -2.329 11.731 2.043) 12.134 11.532 ( -6.134 9.416 -1.035) 11.285 12.042 ( 1.669 -1.160 16.185) 16.312 12.156 ( -3.634 -2.969 9.224) 10.349 12.329 ( 1.807 -3.057 -8.824) 9.512 12.366 ( 0.253 -4.876 -16.089) 16.814 13.001 ( 4.009 -3.485 6.048) 8.050 13.094 ( 3.208 -6.961 3.559) 8.451 13.114 ( 2.734 -3.234 -1.664) 4.550 13.211 ( 1.800 3.361 -1.885) 4.254 13.316 ( 4.915 -0.991 -4.099) 6.476 13.368 ( -1.067 -1.014 -5.110) 5.318 13.517 ( -5.296 -1.554 -0.883) 5.590 13.534 ( -5.918 -2.276 -3.119) 7.066 14.164 ( 4.924 1.291 4.560) 6.834 14.202 ( 3.864 4.200 0.380) 5.720 14.331 ( -2.355 2.920 3.443) 5.092 14.370 ( -4.803 4.393 0.088) 6.510 14.488 ( 3.276 -4.831 2.733) 6.445 14.505 ( 1.261 -1.330 0.415) 1.879 14.651 ( -3.251 -1.475 4.270) 5.566 14.722 ( -6.231 -0.112 -1.398) 6.387 15.036 ( 1.826 4.764 6.275) 8.087 15.149 ( -3.958 3.454 1.313) 5.415 15.205 ( -1.581 1.518 -5.543) 5.961 15.250 ( -3.248 0.381 -9.600) 10.142 15.764 ( 3.129 -1.085 3.141) 4.564 15.800 ( 2.749 -1.715 -0.813) 3.341 15.880 ( -3.081 -2.600 4.242) 5.852 15.965 ( -5.811 -3.826 -4.017) 8.034 18.215 ( 11.164 0.708 1.351) 11.268 18.244 ( 10.972 1.299 -1.390) 11.136 18.363 ( 10.660 -2.311 3.013) 11.316 18.453 ( 5.796 -2.024 -5.657) 8.349 18.591 ( -3.644 0.424 -0.122) 3.671 18.605 ( -1.036 -1.490 -1.936) 2.654 18.710 ( -4.356 -2.493 2.921) 5.807 18.780 ( -3.653 -3.390 -4.306) 6.586 19.022 ( 2.465 2.816 4.051) 5.515 19.065 ( 0.928 1.663 2.183) 2.897 19.126 ( 0.746 2.649 -0.913) 2.900 19.172 ( -0.804 2.272 -3.421) 4.184 19.321 ( 2.185 0.177 2.452) 3.289 19.347 ( 1.837 -1.145 0.086) 2.166 19.496 ( -5.083 -2.051 0.651) 5.520 19.508 ( -5.866 -1.222 -0.502) 6.013 31.806 ( 0.373 0.905 -0.140) 0.989 31.815 ( 0.283 0.719 -0.955) 1.228 31.831 ( -0.857 0.239 0.016) 0.889 31.842 ( -0.984 0.015 -1.128) 1.497 31.990 ( 0.571 0.705 1.599) 1.839 32.000 ( 0.401 0.274 0.669) 0.827 32.017 ( -0.642 0.409 0.738) 1.060 32.024 ( -0.594 0.112 0.224) 0.644 52.349 ( 1.216 6.925 1.709) 7.236 52.383 ( 0.080 7.322 -1.628) 7.501 52.429 ( -2.760 4.280 4.217) 6.612 52.492 ( -5.352 4.705 -1.567) 7.296 53.086 ( 3.481 -2.752 2.105) 4.911 53.146 ( 0.810 -3.267 -3.525) 4.874 53.280 ( -5.146 -5.685 1.688) 7.852 53.312 ( -7.317 -5.642 -1.444) 9.351 ======================= Grid point 103 (40/45) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -3.943 -1.120 3.914) 5.668 2.219 ( 3.943 -1.120 3.914) 5.668 2.323 ( -9.782 2.611 -6.118) 11.830 2.323 ( 9.782 2.611 -6.118) 11.830 2.651 ( -10.577 -8.626 0.486) 13.657 2.651 ( 10.577 -8.626 0.486) 13.657 2.700 ( -2.119 -5.214 -4.959) 7.501 2.700 ( 2.119 -5.214 -4.959) 7.501 3.056 ( -9.436 0.868 10.760) 14.338 3.056 ( 9.436 0.868 10.760) 14.338 3.226 ( -4.870 -5.509 -5.339) 9.087 3.226 ( 4.870 -5.509 -5.339) 9.087 3.384 ( -3.886 0.517 1.418) 4.168 3.384 ( 3.886 0.517 1.418) 4.168 3.433 ( -2.762 -2.013 -1.298) 3.656 3.433 ( 2.762 -2.013 -1.298) 3.656 3.580 ( -6.566 2.937 -0.206) 7.196 3.580 ( 6.566 2.937 -0.206) 7.196 3.609 ( -5.588 3.844 -2.801) 7.338 3.609 ( 5.588 3.844 -2.801) 7.338 3.806 ( -2.442 1.525 5.588) 6.286 3.806 ( 2.442 1.525 5.588) 6.286 3.927 ( -5.694 -1.828 -8.070) 10.044 3.927 ( 5.694 -1.828 -8.070) 10.044 4.507 ( -1.861 -1.452 8.069) 8.407 4.507 ( 1.861 -1.452 8.069) 8.407 4.586 ( -3.868 -1.898 -0.584) 4.348 4.586 ( 3.868 -1.898 -0.584) 4.348 4.687 ( -7.409 2.686 2.757) 8.350 4.687 ( 7.409 2.686 2.757) 8.350 4.756 ( -10.239 -0.623 -3.425) 10.815 4.756 ( 10.239 -0.624 -3.425) 10.815 5.019 ( -1.931 6.093 5.574) 8.481 5.019 ( 1.931 6.093 5.574) 8.481 5.098 ( -8.012 7.222 0.834) 10.819 5.098 ( 8.012 7.222 0.834) 10.819 5.304 ( -3.657 8.073 6.388) 10.925 5.304 ( 3.657 8.073 6.388) 10.925 5.472 ( -4.552 -0.047 -5.690) 7.286 5.472 ( 4.552 -0.047 -5.690) 7.286 5.646 ( -9.708 1.123 6.573) 11.778 5.646 ( 9.708 1.123 6.573) 11.778 5.788 ( -10.350 1.069 -6.161) 12.092 5.788 ( 10.350 1.069 -6.161) 12.092 5.859 ( -3.323 -3.182 0.415) 4.620 5.859 ( 3.323 -3.182 0.415) 4.620 5.919 ( -6.521 -2.332 -4.307) 8.156 5.919 ( 6.521 -2.332 -4.307) 8.156 6.236 ( -3.451 7.210 4.780) 9.313 6.236 ( 3.451 7.210 4.780) 9.313 6.301 ( -5.892 7.121 -1.345) 9.340 6.301 ( 5.892 7.121 -1.345) 9.340 6.576 ( -4.643 4.798 6.093) 9.039 6.576 ( 4.643 4.798 6.093) 9.039 6.775 ( -3.068 9.464 -12.606) 16.059 6.775 ( 3.068 9.464 -12.606) 16.059 7.220 ( -4.274 -5.301 7.427) 10.076 7.220 ( 4.274 -5.301 7.427) 10.076 7.335 ( -4.107 -4.483 -4.165) 7.370 7.335 ( 4.107 -4.483 -4.165) 7.370 7.913 ( -4.920 1.188 15.371) 16.183 7.913 ( 4.920 1.188 15.371) 16.183 8.216 ( -3.918 -1.049 -8.913) 9.793 8.216 ( 3.918 -1.049 -8.913) 9.793 8.270 ( -2.209 3.919 9.818) 10.800 8.270 ( 2.209 3.919 9.818) 10.800 8.616 ( -2.831 0.177 -18.475) 18.692 8.616 ( 2.831 0.177 -18.475) 18.692 9.152 ( -6.248 -22.235 12.709) 26.362 9.152 ( 6.248 -22.235 12.709) 26.362 9.462 ( -3.880 -21.126 -16.811) 27.276 9.462 ( 3.880 -21.126 -16.811) 27.276 9.887 ( -3.484 3.153 2.960) 5.554 9.887 ( 3.484 3.153 2.960) 5.554 9.985 ( -5.840 1.479 -6.898) 9.158 9.985 ( 5.840 1.479 -6.898) 9.158 10.807 ( -6.681 4.161 12.615) 14.869 10.807 ( 6.681 4.161 12.615) 14.869 10.978 ( -4.574 -1.676 -4.632) 6.722 10.978 ( 4.574 -1.676 -4.632) 6.722 11.384 ( -4.065 12.410 4.018) 13.663 11.384 ( 4.065 12.410 4.018) 13.663 11.470 ( -0.586 9.278 -4.138) 10.175 11.470 ( 0.586 9.278 -4.138) 10.175 12.090 ( -3.189 -1.768 13.788) 14.262 12.090 ( 3.189 -1.768 13.788) 14.262 12.358 ( -1.058 -3.973 -13.155) 13.783 12.358 ( 1.058 -3.973 -13.155) 13.783 13.069 ( -2.904 -4.919 6.556) 8.696 13.069 ( 2.904 -4.919 6.556) 8.696 13.200 ( -3.264 -2.947 -6.451) 7.807 13.200 ( 3.264 -2.947 -6.451) 7.807 13.372 ( -0.193 -0.202 2.400) 2.416 13.372 ( 0.193 -0.202 2.400) 2.416 13.459 ( -0.958 -0.763 -6.482) 6.597 13.459 ( 0.958 -0.763 -6.482) 6.597 14.247 ( -2.226 2.535 4.803) 5.870 14.247 ( 2.226 2.535 4.803) 5.870 14.293 ( -1.882 4.081 -0.215) 4.500 14.293 ( 1.882 4.081 -0.215) 4.500 14.532 ( -1.095 -3.591 5.965) 7.048 14.532 ( 1.095 -3.591 5.965) 7.048 14.628 ( -2.664 -1.792 -3.408) 4.682 14.628 ( 2.664 -1.792 -3.408) 4.682 15.083 ( -3.009 4.241 3.970) 6.542 15.083 ( 3.009 4.241 3.970) 6.542 15.204 ( -1.342 1.419 -8.283) 8.510 15.204 ( 1.342 1.419 -8.283) 8.510 15.823 ( -3.001 -1.555 3.130) 4.607 15.823 ( 3.001 -1.555 3.130) 4.607 15.868 ( -4.335 -2.488 -1.396) 5.190 15.868 ( 4.335 -2.488 -1.396) 5.190 18.400 ( -7.449 0.921 0.732) 7.542 18.400 ( 7.449 0.921 0.732) 7.542 18.420 ( -6.177 1.526 -1.332) 6.500 18.420 ( 6.177 1.526 -1.332) 6.500 18.600 ( -6.135 -3.008 3.266) 7.573 18.600 ( 6.135 -3.008 3.266) 7.573 18.685 ( -5.995 -4.167 -5.628) 9.218 18.685 ( 5.995 -4.167 -5.628) 9.218 19.063 ( -1.388 3.547 4.674) 6.029 19.063 ( 1.388 3.547 4.674) 6.029 19.146 ( -1.521 2.301 -3.768) 4.670 19.146 ( 1.521 2.301 -3.768) 4.670 19.374 ( -1.695 -1.870 3.640) 4.429 19.374 ( 1.695 -1.870 3.640) 4.429 19.430 ( -1.023 -0.968 -2.276) 2.676 19.430 ( 1.023 -0.968 -2.276) 2.676 31.815 ( -0.546 0.461 -0.046) 0.716 31.815 ( 0.546 0.461 -0.046) 0.716 31.826 ( -0.643 0.295 -1.146) 1.346 31.826 ( 0.643 0.295 -1.146) 1.346 32.000 ( -0.474 0.402 1.564) 1.683 32.000 ( 0.474 0.402 1.564) 1.683 32.014 ( -0.393 0.274 0.078) 0.485 32.014 ( 0.393 0.274 0.078) 0.485 52.380 ( -1.882 6.193 2.245) 6.851 52.380 ( 1.882 6.193 2.245) 6.851 52.414 ( -2.716 5.463 -1.169) 6.212 52.414 ( 2.716 5.463 -1.169) 6.212 53.179 ( -5.932 -4.564 0.490) 7.500 53.179 ( 5.932 -4.564 0.490) 7.500 53.194 ( -4.043 -4.572 -0.952) 6.177 53.194 ( 4.043 -4.572 -0.952) 6.177 ======================= Grid point 108 (41/45) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 14.141 10.597) 17.671 1.794 ( 0.000 14.164 15.140) 20.732 1.916 ( 0.000 10.302 8.688) 13.477 2.005 ( 0.000 -8.299 -11.687) 14.334 2.007 ( 0.000 -7.818 -15.091) 16.996 2.211 ( 0.000 -15.574 13.852) 20.843 2.281 ( 0.000 10.547 -21.039) 23.535 2.502 ( 0.000 -9.832 -15.412) 18.281 2.888 ( 0.000 3.551 7.650) 8.434 3.030 ( 0.000 -8.149 6.443) 10.388 3.078 ( 0.000 4.976 -12.156) 13.135 3.175 ( 0.000 -1.774 -8.387) 8.573 3.376 ( 0.000 3.378 0.961) 3.512 3.405 ( 0.000 1.832 -2.339) 2.972 3.411 ( 0.000 1.501 4.829) 5.057 3.459 ( 0.000 -3.247 0.385) 3.270 3.480 ( 0.000 -3.569 4.737) 5.931 3.487 ( 0.000 -3.176 0.215) 3.183 3.551 ( 0.000 1.367 -4.915) 5.102 3.563 ( 0.000 0.206 -2.129) 2.139 3.778 ( 0.000 6.523 9.794) 11.768 3.948 ( 0.000 8.061 -6.631) 10.438 4.023 ( 0.000 -0.369 0.500) 0.621 4.030 ( 0.000 -4.759 5.788) 7.493 4.117 ( 0.000 16.137 8.088) 18.050 4.119 ( 0.000 1.567 6.294) 6.486 4.234 ( 0.000 -13.982 1.945) 14.117 4.250 ( 0.000 -3.846 -7.039) 8.021 4.431 ( 0.000 -0.786 5.515) 5.571 4.688 ( 0.000 -11.579 2.842) 11.923 4.696 ( 0.000 2.910 -13.082) 13.402 4.750 ( 0.000 -2.210 -2.988) 3.717 4.974 ( 0.000 4.714 13.141) 13.961 5.057 ( 0.000 -2.236 12.763) 12.957 5.219 ( 0.000 6.052 -10.365) 12.003 5.282 ( 0.000 0.527 -10.252) 10.266 5.364 ( 0.000 0.336 19.179) 19.182 5.404 ( 0.000 -2.383 23.188) 23.310 5.536 ( 0.000 5.924 7.057) 9.214 5.567 ( 0.000 4.260 1.328) 4.462 5.627 ( 0.000 4.932 -1.226) 5.082 5.634 ( 0.000 -0.147 1.081) 1.091 5.709 ( 0.000 0.406 -0.716) 0.823 5.821 ( 0.000 6.324 2.904) 6.959 5.883 ( 0.000 -4.696 -15.446) 16.144 5.977 ( 0.000 -7.190 10.728) 12.915 6.062 ( 0.000 4.103 -3.638) 5.484 6.115 ( 0.000 0.146 -3.792) 3.795 6.267 ( 0.000 1.166 0.049) 1.167 6.274 ( 0.000 -3.907 3.973) 5.572 6.315 ( 0.000 14.247 -13.382) 19.546 6.415 ( 0.000 -2.527 -7.107) 7.543 6.487 ( 0.000 2.234 8.057) 8.361 6.750 ( 0.000 -16.925 4.793) 17.591 6.771 ( 0.000 9.873 -20.171) 22.458 6.893 ( 0.000 -7.880 2.852) 8.380 6.942 ( 0.000 3.049 4.226) 5.211 7.072 ( 0.000 5.578 -6.790) 8.788 7.157 ( 0.000 -1.575 -3.896) 4.202 7.179 ( 0.000 -13.939 -17.452) 22.336 7.652 ( 0.000 7.195 8.283) 10.971 7.782 ( 0.000 9.482 -4.457) 10.478 7.854 ( 0.000 -12.648 9.228) 15.657 8.047 ( 0.000 -17.549 -9.635) 20.021 8.611 ( 0.000 14.952 10.744) 18.412 8.705 ( 0.000 15.176 1.233) 15.226 8.846 ( 0.000 -5.924 9.988) 11.613 8.934 ( 0.000 -8.589 2.569) 8.965 9.592 ( 0.000 1.623 5.709) 5.935 9.621 ( 0.000 0.825 10.984) 11.015 9.697 ( 0.000 7.649 -5.962) 9.698 9.813 ( 0.000 -0.234 -8.415) 8.418 9.870 ( 0.000 1.715 -0.531) 1.795 9.913 ( 0.000 -3.065 0.154) 3.069 9.948 ( 0.000 -4.565 -8.192) 9.378 9.991 ( 0.000 -13.682 -6.949) 15.346 10.373 ( 0.000 -1.027 8.663) 8.724 10.443 ( 0.000 -6.317 7.197) 9.576 10.577 ( 0.000 0.687 -13.352) 13.369 10.610 ( 0.000 -2.255 -10.825) 11.058 11.403 ( 0.000 8.918 15.508) 17.889 11.540 ( 0.000 -4.244 18.278) 18.764 11.719 ( 0.000 11.296 -16.857) 20.292 11.877 ( 0.000 -4.288 -14.744) 15.354 12.180 ( 0.000 1.798 5.895) 6.163 12.209 ( 0.000 -1.242 8.054) 8.149 12.321 ( 0.000 0.285 -9.114) 9.118 12.352 ( 0.000 -2.436 -5.968) 6.446 12.784 ( 0.000 2.725 1.869) 3.304 12.861 ( 0.000 4.416 -7.004) 8.280 12.871 ( 0.000 -5.624 2.859) 6.310 12.963 ( 0.000 -5.370 -7.089) 8.894 13.352 ( 0.000 14.456 11.876) 18.709 13.561 ( 0.000 8.851 -8.922) 12.568 13.637 ( 0.000 -12.507 7.970) 14.830 13.758 ( 0.000 -9.561 -3.106) 10.053 13.969 ( 0.000 5.339 10.483) 11.764 14.107 ( 0.000 -7.728 7.651) 10.875 14.141 ( 0.000 3.862 -7.740) 8.650 14.220 ( 0.000 -3.738 -4.237) 5.650 14.764 ( 0.000 6.456 6.216) 8.962 14.834 ( 0.000 6.125 -0.540) 6.149 14.846 ( 0.000 2.656 6.421) 6.949 14.943 ( 0.000 -3.919 -1.819) 4.320 15.190 ( 0.000 1.204 11.322) 11.386 15.279 ( 0.000 -5.780 6.102) 8.405 15.375 ( 0.000 -2.324 -3.083) 3.861 15.382 ( 0.000 -3.050 -7.866) 8.436 15.686 ( 0.000 7.468 -0.660) 7.497 15.764 ( 0.000 11.254 -8.373) 14.027 15.851 ( 0.000 -8.271 5.368) 9.860 16.032 ( 0.000 -11.571 -12.725) 17.200 17.740 ( 0.000 0.345 0.935) 0.997 17.745 ( 0.000 -0.197 0.830) 0.853 17.759 ( 0.000 0.172 -1.020) 1.035 17.761 ( 0.000 -0.120 -0.825) 0.834 18.718 ( 0.000 0.191 2.338) 2.346 18.722 ( 0.000 -0.136 1.410) 1.416 18.748 ( 0.000 0.755 -1.384) 1.576 18.760 ( 0.000 -0.441 -2.088) 2.134 18.973 ( 0.000 1.280 5.144) 5.301 19.014 ( 0.000 -2.716 5.513) 6.145 19.068 ( 0.000 1.578 -4.738) 4.994 19.111 ( 0.000 -2.354 -4.614) 5.180 19.446 ( 0.000 8.108 3.045) 8.661 19.493 ( 0.000 8.810 -1.772) 8.986 19.608 ( 0.000 -7.236 4.083) 8.309 19.671 ( 0.000 -8.234 -2.309) 8.552 31.849 ( 0.000 1.701 0.433) 1.755 31.861 ( 0.000 1.392 -0.665) 1.543 31.880 ( 0.000 -1.250 0.452) 1.329 31.889 ( 0.000 -1.460 -0.532) 1.554 31.990 ( 0.000 2.986 1.515) 3.348 32.003 ( 0.000 2.802 0.197) 2.809 32.033 ( 0.000 -1.205 1.374) 1.828 32.044 ( 0.000 -1.084 0.185) 1.100 52.478 ( 0.000 4.305 8.786) 9.784 52.523 ( 0.000 -0.646 10.906) 10.926 52.650 ( 0.000 8.488 -8.400) 11.941 52.750 ( 0.000 -1.460 -12.398) 12.484 53.254 ( 0.000 -1.274 3.315) 3.551 53.292 ( 0.000 -4.688 6.484) 8.001 53.354 ( 0.000 1.869 -6.627) 6.885 53.420 ( 0.000 -3.831 -6.633) 7.660 ======================= Grid point 109 (42/45) ======================= q-point: ( 0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 3.785 14.847 6.876) 16.794 1.873 ( 3.702 5.973 4.079) 8.125 1.973 ( 2.118 -1.073 -10.374) 10.642 2.051 ( 4.782 -9.239 -9.987) 14.421 2.087 ( 15.447 12.719 14.502) 24.712 2.354 ( 13.864 -9.283 9.614) 19.257 2.468 ( 15.231 3.754 -16.397) 22.692 2.591 ( 7.776 -5.692 -10.497) 14.249 2.868 ( -2.840 1.312 6.824) 7.507 2.963 ( -6.072 -4.572 5.097) 9.151 3.085 ( -0.323 -0.249 -10.631) 10.639 3.146 ( -2.812 -1.379 -8.887) 9.423 3.363 ( -0.501 -0.221 -0.421) 0.690 3.382 ( -0.908 1.335 -0.851) 1.825 3.432 ( -0.322 -3.214 2.178) 3.895 3.453 ( -0.271 -4.378 -0.270) 4.394 3.486 ( 3.159 2.248 2.808) 4.788 3.545 ( 2.191 0.361 0.240) 2.234 3.581 ( 4.645 0.302 -1.591) 4.919 3.641 ( 3.679 -2.139 -4.426) 6.140 3.768 ( 3.478 5.737 9.714) 11.805 3.908 ( 0.288 7.362 -4.328) 8.544 3.955 ( -2.606 -10.728 8.941) 14.207 4.085 ( 1.974 -3.559 -5.421) 6.778 4.115 ( 0.055 5.462 2.336) 5.941 4.158 ( -3.125 -5.865 2.585) 7.131 4.175 ( 2.418 2.007 0.236) 3.151 4.315 ( 0.601 -6.740 -7.115) 9.819 4.486 ( 9.260 11.177 14.247) 20.339 4.669 ( 3.143 2.396 1.074) 4.095 4.788 ( 3.657 -3.029 -1.656) 5.029 4.845 ( 6.504 -5.177 -4.202) 9.314 4.914 ( -4.184 6.590 11.379) 13.799 5.030 ( -1.848 -3.342 8.920) 9.703 5.141 ( -5.841 4.720 -8.688) 11.484 5.209 ( -7.375 -0.229 -7.590) 10.586 5.307 ( -4.379 2.652 16.358) 17.141 5.390 ( -2.146 -0.674 12.517) 12.717 5.523 ( -1.093 10.864 7.065) 13.005 5.568 ( -4.502 3.685 -3.058) 6.573 5.632 ( -0.379 0.552 2.082) 2.187 5.699 ( 4.053 5.858 -1.117) 7.211 5.779 ( 8.001 -1.387 0.782) 8.158 5.826 ( 2.991 5.837 5.798) 8.754 5.928 ( 3.572 -6.472 -7.138) 10.276 5.972 ( -0.010 -5.691 8.098) 9.898 6.021 ( -1.761 6.017 -2.872) 6.896 6.121 ( -0.736 -4.125 -0.582) 4.230 6.267 ( 2.962 3.115 2.549) 4.997 6.293 ( -1.509 0.386 -3.170) 3.532 6.340 ( 2.744 10.530 -10.880) 15.388 6.425 ( 2.129 -1.478 -5.054) 5.680 6.507 ( 1.050 -0.850 9.946) 10.038 6.740 ( 1.306 -10.098 0.353) 10.188 6.789 ( -4.116 -1.189 -3.252) 5.379 6.856 ( 3.387 0.061 -3.251) 4.695 6.998 ( 4.063 4.755 -3.903) 7.372 7.094 ( -0.041 -0.791 -8.529) 8.566 7.166 ( 1.013 -5.433 -5.089) 7.513 7.211 ( 2.667 -10.775 -12.106) 16.424 7.680 ( 0.880 4.520 7.796) 9.055 7.777 ( 2.280 3.798 -1.200) 4.589 7.858 ( -0.492 -5.733 1.805) 6.031 7.947 ( -6.410 -7.025 -5.404) 10.938 8.571 ( -7.154 14.992 10.208) 19.497 8.654 ( 0.844 9.207 2.884) 9.685 8.881 ( -1.172 -6.778 8.324) 10.799 8.946 ( 1.635 -13.493 2.680) 13.854 9.404 ( -19.105 8.933 7.949) 22.538 9.477 ( -11.844 1.495 -0.534) 11.950 9.648 ( -4.375 -0.978 -5.974) 7.469 9.721 ( -10.678 -6.418 -10.785) 16.478 9.863 ( -1.890 1.430 -1.134) 2.628 9.912 ( 0.580 0.027 -4.964) 4.998 9.926 ( 0.571 -5.831 2.326) 6.303 10.015 ( 0.709 -9.194 -5.248) 10.610 10.416 ( 5.207 4.170 9.138) 11.314 10.555 ( 8.524 -6.394 5.871) 12.166 10.638 ( 6.936 1.304 -10.040) 12.272 10.740 ( 10.152 -6.461 -9.617) 15.404 11.433 ( 3.066 10.303 13.747) 17.451 11.584 ( 3.872 -3.764 16.103) 16.985 11.718 ( 0.072 12.322 -14.994) 19.407 11.873 ( -0.658 -2.437 -10.957) 11.244 12.118 ( -5.051 2.533 8.619) 10.306 12.189 ( -2.407 -3.977 3.809) 6.010 12.293 ( -2.319 -0.682 -8.966) 9.286 12.305 ( -4.078 -1.607 -5.844) 7.305 12.832 ( 4.164 2.177 2.730) 5.434 12.854 ( 2.226 1.038 1.295) 2.776 12.973 ( 6.020 -3.146 -6.284) 9.254 12.988 ( 2.956 -4.503 -6.834) 8.701 13.340 ( -0.948 12.837 10.418) 16.559 13.524 ( -3.420 6.903 -7.389) 10.674 13.599 ( -3.612 -11.041 6.042) 13.094 13.687 ( -6.083 -7.500 -1.447) 9.764 14.022 ( 4.558 4.309 8.196) 10.321 14.142 ( 3.481 -4.044 4.486) 6.972 14.170 ( 2.777 1.215 -4.125) 5.119 14.254 ( 3.283 -4.081 -4.115) 6.661 14.718 ( -4.997 6.320 5.400) 9.699 14.754 ( -5.130 5.708 2.031) 7.939 14.838 ( -4.170 1.796 3.708) 5.862 14.890 ( -4.587 -5.946 -1.040) 7.581 15.164 ( -1.888 4.225 10.868) 11.812 15.263 ( -1.578 -4.892 5.405) 7.459 15.359 ( -1.554 -0.717 -7.157) 7.359 15.369 ( -1.767 -1.289 -6.520) 6.877 15.698 ( 1.194 6.461 0.299) 6.577 15.757 ( -0.305 8.400 -4.897) 9.728 15.849 ( -0.384 -7.243 4.182) 8.372 16.001 ( -3.041 -11.101 -10.532) 15.601 17.818 ( 7.926 0.694 1.441) 8.086 17.835 ( 8.762 -0.636 1.659) 8.940 17.853 ( 9.480 0.704 -1.721) 9.660 17.886 ( 11.544 -2.221 -3.296) 12.209 18.710 ( -0.962 0.995 1.317) 1.910 18.722 ( -0.193 0.594 1.068) 1.237 18.741 ( -0.668 0.079 -0.384) 0.775 18.767 ( 0.360 -1.615 -1.914) 2.530 18.983 ( 1.107 1.561 5.013) 5.366 19.025 ( 1.170 -2.366 5.227) 5.856 19.076 ( 0.928 1.555 -4.319) 4.683 19.120 ( 1.032 -2.364 -4.378) 5.081 19.431 ( -1.513 7.497 2.797) 8.143 19.473 ( -1.970 8.049 -1.516) 8.424 19.581 ( -2.688 -6.616 3.580) 7.988 19.636 ( -3.476 -7.357 -1.964) 8.370 31.844 ( -0.563 1.553 0.327) 1.684 31.852 ( -0.787 1.097 -0.399) 1.408 31.871 ( -0.827 -0.635 -0.041) 1.043 31.876 ( -1.108 -1.004 -0.655) 1.632 31.996 ( 0.474 2.311 1.484) 2.787 32.006 ( 0.224 2.163 0.485) 2.228 32.032 ( -0.104 -1.027 1.172) 1.562 32.040 ( -0.405 -0.916 0.305) 1.047 52.474 ( -0.337 4.502 8.118) 9.289 52.520 ( -0.241 -0.460 10.231) 10.244 52.635 ( -1.521 8.428 -7.927) 11.670 52.734 ( -1.814 -1.216 -11.527) 11.732 53.186 ( -5.638 2.158 3.767) 7.116 53.274 ( -6.002 2.830 -3.803) 7.648 53.281 ( -2.454 -6.018 4.198) 7.736 53.392 ( -3.712 -6.645 -5.968) 9.672 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 9.244 10.341 1.877) 13.997 1.954 ( 5.535 4.071 -0.402) 6.883 2.071 ( 7.888 -1.043 -5.485) 9.664 2.175 ( 7.808 -9.744 -11.490) 16.969 2.415 ( 14.615 16.596 17.829) 28.406 2.644 ( 12.806 -2.894 5.816) 14.360 2.701 ( 3.629 1.488 -2.050) 4.425 2.718 ( 1.114 6.704 0.276) 6.801 2.793 ( 3.246 -5.204 -2.286) 6.546 2.881 ( -0.567 -5.214 -5.165) 7.361 3.050 ( -3.403 -9.912 -9.184) 13.934 3.076 ( -2.729 -9.519 -8.132) 12.813 3.362 ( -0.168 0.441 1.867) 1.926 3.386 ( 1.783 0.314 -1.503) 2.353 3.415 ( -1.141 -2.783 2.298) 3.785 3.453 ( 1.077 -3.545 -1.965) 4.194 3.555 ( 3.283 0.675 0.818) 3.450 3.587 ( 1.955 -0.657 -0.590) 2.145 3.627 ( -0.001 -1.497 -2.804) 3.179 3.632 ( -2.572 -0.422 -3.332) 4.231 3.904 ( 0.056 9.120 2.909) 9.573 3.923 ( 1.639 6.426 0.734) 6.672 4.009 ( 3.652 -2.640 5.375) 7.015 4.076 ( -1.126 -7.913 -0.028) 7.992 4.180 ( 9.684 2.290 2.092) 10.169 4.238 ( 7.026 -1.102 -2.843) 7.659 4.256 ( 10.198 -2.961 1.834) 10.777 4.309 ( 4.931 -7.650 -2.539) 9.449 4.676 ( 6.549 7.150 11.572) 15.097 4.760 ( 5.685 3.884 7.254) 10.001 4.801 ( -1.478 1.387 6.628) 6.931 4.885 ( -0.541 0.122 4.374) 4.409 4.940 ( 5.521 3.127 -2.848) 6.955 5.000 ( -2.927 -0.501 4.469) 5.366 5.054 ( -5.871 1.477 -1.171) 6.166 5.093 ( 3.219 -0.663 -8.056) 8.701 5.234 ( -2.895 4.562 6.826) 8.705 5.337 ( -2.762 1.113 1.997) 3.586 5.418 ( -5.713 3.154 -3.243) 7.287 5.505 ( -5.394 0.639 -6.234) 8.268 5.606 ( 1.260 14.063 13.111) 19.267 5.758 ( 1.106 10.856 -0.568) 10.927 5.854 ( 0.881 5.615 0.505) 5.706 5.932 ( 1.333 -1.978 0.584) 2.456 5.956 ( 0.614 -0.397 3.372) 3.450 5.981 ( 0.842 -2.446 -0.667) 2.671 6.010 ( -0.585 0.022 2.179) 2.257 6.117 ( -0.582 -4.429 -1.581) 4.738 6.290 ( 3.505 4.119 3.375) 6.375 6.353 ( 3.848 1.901 0.798) 4.366 6.391 ( 2.319 2.712 1.327) 3.807 6.498 ( 3.313 -2.455 -4.316) 5.969 6.515 ( 2.242 7.896 7.368) 11.030 6.708 ( -3.797 8.300 -4.879) 10.350 6.817 ( 7.061 -11.537 10.427) 17.078 6.917 ( 1.081 -8.845 -4.222) 9.861 7.027 ( -5.287 2.875 -10.000) 11.671 7.081 ( 0.926 -4.409 -5.239) 6.909 7.166 ( 0.000 -9.774 -7.782) 12.494 7.249 ( 1.007 -9.603 -12.462) 15.765 7.692 ( 3.134 7.636 8.786) 12.055 7.825 ( 3.035 3.661 -2.168) 5.226 7.912 ( 9.858 -3.154 -1.940) 10.530 7.968 ( 5.804 1.185 -3.278) 6.770 8.438 ( -6.137 10.228 15.003) 19.167 8.664 ( -0.956 2.796 -0.931) 3.098 8.787 ( -7.019 -10.757 7.581) 14.915 8.924 ( -10.513 -6.005 0.882) 12.139 9.024 ( -13.990 6.340 10.403) 18.551 9.203 ( -15.773 1.126 -6.173) 16.976 9.423 ( -18.385 -10.173 -12.128) 24.261 9.507 ( -11.328 -9.838 -14.987) 21.206 9.866 ( 1.625 3.417 0.357) 3.800 9.906 ( 0.268 1.870 -2.677) 3.277 9.960 ( 1.645 -4.297 2.066) 5.044 10.026 ( 0.807 -7.956 -3.513) 8.735 10.548 ( 8.070 7.009 10.329) 14.864 10.707 ( 7.128 -0.502 1.229) 7.251 10.785 ( 7.102 -3.902 -1.687) 8.277 10.908 ( 6.072 -8.276 -6.817) 12.322 11.505 ( 4.036 11.928 10.312) 16.276 11.653 ( 2.732 -0.706 12.584) 12.896 11.723 ( 0.213 13.635 -10.453) 17.182 11.831 ( -4.112 2.970 -1.247) 5.223 12.036 ( -2.627 1.938 9.807) 10.336 12.142 ( -1.724 -5.916 -0.846) 6.220 12.225 ( -3.285 -2.366 -8.500) 9.415 12.259 ( -1.295 -3.485 -9.217) 9.938 12.912 ( 4.166 0.081 3.352) 5.347 12.924 ( 4.072 0.569 4.050) 5.771 13.025 ( 1.720 -1.372 -4.580) 5.081 13.094 ( 4.746 -6.195 -9.753) 12.491 13.329 ( 0.098 8.985 6.562) 11.127 13.452 ( -3.605 3.709 -4.087) 6.592 13.521 ( -4.056 -7.462 2.152) 8.762 13.567 ( -5.942 -5.200 -1.161) 7.981 14.119 ( 5.355 4.173 6.629) 9.489 14.226 ( 4.969 2.706 -1.761) 5.925 14.235 ( 4.025 -3.777 2.896) 6.233 14.330 ( 4.447 -4.143 -3.853) 7.197 14.594 ( -7.154 5.445 4.256) 9.947 14.649 ( -6.226 6.997 -0.430) 9.376 14.707 ( -7.815 -3.421 6.483) 10.715 14.787 ( -6.488 -5.627 -1.064) 8.654 15.140 ( -0.501 5.611 8.135) 9.895 15.230 ( -1.599 -3.024 3.623) 4.983 15.314 ( -3.501 2.265 -7.817) 8.860 15.322 ( -2.466 0.986 -7.398) 7.861 15.728 ( 1.784 3.879 1.636) 4.572 15.762 ( 0.742 3.873 -1.125) 4.101 15.836 ( -0.918 -5.159 2.720) 5.904 15.932 ( -3.875 -8.838 -6.150) 11.443 18.014 ( 11.839 1.360 2.194) 12.117 18.044 ( 12.397 -0.432 2.081) 12.578 18.077 ( 13.025 0.430 -2.261) 13.226 18.140 ( 13.913 -4.508 -5.877) 15.762 18.675 ( -2.821 1.739 1.215) 3.530 18.701 ( -2.393 2.598 -1.430) 3.811 18.717 ( -2.036 -2.219 1.958) 3.592 18.760 ( -1.500 -3.010 -2.376) 4.118 19.019 ( 2.766 2.194 4.610) 5.807 19.058 ( 2.357 -0.877 4.292) 4.974 19.107 ( 2.293 1.117 -2.764) 3.760 19.150 ( 2.094 -2.228 -3.587) 4.714 19.392 ( -2.411 5.854 2.214) 6.707 19.424 ( -3.036 6.054 -0.891) 6.831 19.514 ( -4.136 -5.160 2.266) 6.991 19.552 ( -5.088 -5.487 -1.458) 7.624 31.831 ( -0.596 1.177 0.096) 1.322 31.838 ( -0.664 0.740 -0.376) 1.063 31.852 ( -1.098 -0.079 -0.456) 1.192 31.856 ( -0.949 -0.520 -0.964) 1.449 32.004 ( 0.265 1.440 1.420) 2.040 32.009 ( 0.092 1.211 0.876) 1.497 32.028 ( -0.346 -0.653 0.867) 1.139 32.031 ( -0.531 -0.573 0.537) 0.948 52.470 ( 0.096 4.849 6.335) 7.979 52.514 ( -0.319 0.495 8.109) 8.131 52.597 ( -2.283 8.016 -6.244) 10.414 52.678 ( -3.991 0.679 -8.012) 8.977 53.084 ( -4.056 3.918 3.237) 6.502 53.160 ( -5.132 2.658 -3.792) 6.913 53.217 ( -4.239 -8.189 3.426) 9.837 53.289 ( -6.440 -8.365 -3.664) 11.175 ======================= Grid point 111 (44/45) ======================= q-point: ( 0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 8.460 4.174 1.569) 9.563 2.100 ( 13.063 3.805 -1.716) 13.713 2.236 ( 7.977 -0.918 -3.717) 8.848 2.318 ( 6.311 -7.226 -9.264) 13.337 2.501 ( -3.288 5.775 9.009) 11.195 2.602 ( -6.468 -2.831 2.473) 7.481 2.673 ( -3.788 1.193 -1.701) 4.321 2.738 ( -11.486 -3.526 -11.155) 16.395 2.900 ( 10.764 0.757 4.721) 11.778 3.012 ( 10.398 -5.582 1.356) 11.879 3.053 ( 6.838 -3.598 -3.993) 8.697 3.137 ( 4.541 -6.729 -5.296) 9.693 3.345 ( -0.792 1.317 6.682) 6.856 3.386 ( -1.087 -2.044 4.144) 4.747 3.456 ( 1.875 1.402 -4.473) 5.048 3.467 ( 0.068 0.239 -4.296) 4.303 3.568 ( -1.488 1.815 0.137) 2.351 3.612 ( 2.093 2.495 -4.018) 5.172 3.632 ( 4.250 -2.938 0.132) 5.168 3.655 ( 3.540 -1.457 -2.189) 4.410 3.826 ( -5.826 5.043 1.829) 7.920 3.862 ( -6.377 3.285 -1.156) 7.266 3.930 ( -7.624 -3.918 1.699) 8.739 3.981 ( -9.126 -6.624 -3.425) 11.785 4.403 ( 7.529 0.580 7.276) 10.487 4.437 ( 10.197 -1.427 4.728) 11.330 4.474 ( 7.033 0.726 2.179) 7.399 4.503 ( 14.981 -0.722 -1.551) 15.078 4.688 ( -3.820 1.615 10.291) 11.095 4.734 ( -4.074 -2.227 5.593) 7.269 4.823 ( -5.369 1.132 -0.917) 5.563 4.840 ( -4.694 -0.330 -2.812) 5.482 4.998 ( 11.955 6.996 9.047) 16.544 5.100 ( 8.927 -2.457 9.170) 13.031 5.147 ( 10.791 8.964 -0.804) 14.052 5.208 ( 3.411 0.184 5.032) 6.082 5.246 ( 10.442 0.279 -4.011) 11.189 5.325 ( 1.370 0.631 -4.621) 4.861 5.365 ( 1.096 1.985 -5.562) 6.006 5.440 ( 1.576 -2.282 -6.396) 6.971 5.615 ( -2.192 14.664 6.288) 16.106 5.719 ( -5.378 8.650 -2.914) 10.595 5.842 ( -4.207 0.437 1.616) 4.527 5.876 ( -3.530 -0.671 1.865) 4.049 5.926 ( -5.882 -5.472 2.602) 8.445 5.963 ( -0.512 6.604 6.165) 9.049 6.029 ( 1.949 4.359 -2.328) 5.312 6.099 ( -1.139 2.580 -5.582) 6.254 6.329 ( -0.720 6.569 3.684) 7.566 6.358 ( -1.731 3.691 3.393) 5.304 6.443 ( 0.591 -3.759 6.360) 7.412 6.488 ( -1.141 4.504 -0.800) 4.714 6.609 ( 0.163 8.014 0.654) 8.043 6.655 ( 2.235 6.808 -5.337) 8.935 6.849 ( -7.685 -6.710 -6.765) 12.241 6.911 ( -5.892 -6.960 -10.482) 13.893 6.981 ( 8.434 -4.985 13.965) 17.059 7.096 ( 6.301 -9.356 4.722) 12.229 7.204 ( 1.864 -0.694 -8.669) 8.894 7.269 ( 0.466 -6.221 -9.337) 11.229 7.836 ( 10.642 8.398 11.859) 18.011 7.972 ( 9.409 -0.329 1.169) 9.487 8.086 ( 4.724 4.909 2.151) 7.145 8.121 ( 10.795 -2.238 -7.183) 13.158 8.352 ( -2.365 3.976 11.930) 12.795 8.552 ( -13.297 6.657 12.978) 19.737 8.646 ( -4.253 -1.872 2.006) 5.061 8.687 ( -4.149 -4.629 -5.664) 8.410 8.853 ( -11.057 -4.469 7.137) 13.898 8.937 ( -11.446 -2.264 -13.776) 18.053 9.082 ( -14.334 -16.887 -16.846) 27.828 9.245 ( -15.127 -17.044 -19.700) 30.123 9.912 ( 2.743 4.773 0.446) 5.523 9.935 ( 2.748 2.461 -2.010) 4.201 9.976 ( -0.068 -0.997 2.303) 2.511 10.033 ( -0.597 -5.277 -3.189) 6.195 10.708 ( 8.414 5.241 9.484) 13.719 10.821 ( 4.864 -0.074 1.686) 5.148 10.880 ( 2.567 -4.715 1.874) 5.686 10.951 ( -1.306 -6.098 -0.881) 6.298 11.576 ( 3.439 11.505 7.394) 14.102 11.679 ( 0.178 4.870 8.125) 9.474 11.715 ( -1.156 11.208 -3.194) 11.712 11.737 ( -4.953 7.024 4.212) 9.571 12.027 ( 1.429 1.667 7.813) 8.116 12.116 ( -1.734 0.598 -1.623) 2.449 12.199 ( 0.563 -8.982 -9.741) 13.262 12.242 ( -0.737 -6.686 -11.225) 13.086 12.982 ( 2.698 1.073 3.552) 4.588 12.993 ( 3.112 -2.089 4.301) 5.705 13.047 ( 1.011 -1.523 -2.255) 2.903 13.135 ( -0.632 -7.728 -8.154) 11.252 13.349 ( 1.905 4.817 2.538) 5.768 13.408 ( -0.864 2.061 -2.160) 3.108 13.456 ( -2.705 -3.890 -0.652) 4.783 13.474 ( -3.727 -3.013 -2.386) 5.354 14.222 ( 5.505 4.287 6.074) 9.251 14.310 ( 4.313 3.027 -0.973) 5.358 14.328 ( 4.920 -1.380 3.293) 6.079 14.417 ( 4.394 -2.832 -2.806) 5.933 14.463 ( -6.287 3.393 3.745) 8.066 14.522 ( -6.519 5.048 0.098) 8.245 14.575 ( -5.911 -5.031 4.403) 8.924 14.656 ( -6.820 -5.508 -2.446) 9.102 15.146 ( 1.198 5.025 4.450) 6.818 15.212 ( -0.124 -1.187 0.337) 1.240 15.244 ( -3.571 3.960 -3.851) 6.577 15.272 ( -2.685 0.849 -7.534) 8.043 15.763 ( 1.858 1.348 1.867) 2.959 15.780 ( 1.189 0.572 0.288) 1.350 15.816 ( -1.120 -2.873 1.842) 3.592 15.863 ( -3.200 -5.411 -2.338) 6.707 18.241 ( 11.524 1.870 2.363) 11.911 18.277 ( 11.522 0.315 1.523) 11.626 18.316 ( 11.477 -0.202 -1.909) 11.636 18.380 ( 10.708 -4.381 -5.747) 12.919 18.599 ( -5.071 1.469 1.361) 5.452 18.627 ( -5.347 1.768 -0.570) 5.660 18.654 ( -4.837 -1.963 0.743) 5.273 18.703 ( -4.533 -3.829 -3.383) 6.830 19.084 ( 3.814 2.844 3.965) 6.193 19.110 ( 2.771 1.508 3.435) 4.664 19.155 ( 2.332 0.601 -0.596) 2.481 19.188 ( 1.270 -1.295 -1.980) 2.685 19.351 ( -1.399 3.083 1.437) 3.678 19.369 ( -2.276 3.175 -0.174) 3.910 19.434 ( -3.919 -3.592 0.361) 5.329 19.456 ( -4.714 -3.691 -1.582) 6.193 31.824 ( -0.126 0.738 -0.219) 0.780 31.829 ( -0.238 0.470 -0.618) 0.812 31.835 ( -0.664 0.130 -0.530) 0.860 31.840 ( -0.714 -0.233 -1.062) 1.301 32.007 ( 0.127 0.871 1.330) 1.595 32.010 ( 0.025 0.579 1.092) 1.237 32.020 ( -0.413 -0.165 0.740) 0.864 32.022 ( -0.396 -0.379 0.628) 0.834 52.482 ( 1.273 5.035 3.932) 6.514 52.512 ( 0.149 2.553 4.649) 5.306 52.555 ( -2.077 6.845 -3.124) 7.805 52.595 ( -4.296 3.316 -3.073) 6.237 53.047 ( 0.073 0.435 1.177) 1.257 53.091 ( -1.963 -0.413 -2.779) 3.427 53.136 ( -3.812 -7.256 1.336) 8.305 53.170 ( -5.697 -7.071 -1.785) 9.254 ======================= Grid point 112 (45/45) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -6.908 3.857 3.503) 8.652 2.243 ( 6.908 3.857 3.503) 8.652 2.343 ( -8.562 -2.893 -6.102) 10.904 2.343 ( 8.562 -2.893 -6.102) 10.904 2.503 ( -2.676 -1.854 -0.160) 3.259 2.503 ( 2.676 -1.854 -0.160) 3.259 2.577 ( -3.395 -6.123 -7.714) 10.417 2.577 ( 3.395 -6.123 -7.714) 10.417 3.093 ( -8.036 2.379 4.939) 9.728 3.093 ( 8.036 2.379 4.939) 9.728 3.143 ( -1.517 -2.746 0.287) 3.150 3.143 ( 1.517 -2.746 0.287) 3.150 3.388 ( -4.372 0.961 -0.198) 4.481 3.388 ( 4.372 0.961 -0.198) 4.481 3.416 ( -5.212 -1.220 -1.847) 5.663 3.416 ( 5.212 -1.220 -1.847) 5.663 3.655 ( -6.141 4.399 0.360) 7.562 3.655 ( 6.141 4.399 0.360) 7.562 3.697 ( -3.967 4.287 -3.449) 6.784 3.697 ( 3.967 4.287 -3.449) 6.784 3.764 ( -1.837 -4.102 2.880) 5.339 3.764 ( 1.837 -4.102 2.880) 5.339 3.821 ( -2.134 -6.339 -3.643) 7.617 3.821 ( 2.134 -6.339 -3.643) 7.617 4.519 ( -3.997 2.112 9.149) 10.205 4.519 ( 3.997 2.112 9.149) 10.205 4.563 ( -4.320 -1.344 6.414) 7.849 4.563 ( 4.320 -1.344 6.414) 7.849 4.720 ( -5.764 -0.268 -1.987) 6.103 4.720 ( 5.764 -0.268 -1.987) 6.103 4.728 ( -5.277 -0.967 -2.791) 6.047 4.728 ( 5.277 -0.967 -2.791) 6.047 5.164 ( -4.363 7.824 9.754) 13.243 5.164 ( 4.363 7.824 9.754) 13.243 5.255 ( -0.377 2.569 3.610) 4.447 5.255 ( 0.377 2.569 3.610) 4.447 5.421 ( -4.729 3.421 -2.729) 6.444 5.421 ( 4.729 3.421 -2.729) 6.444 5.460 ( -9.504 1.021 -3.353) 10.129 5.460 ( 9.504 1.021 -3.353) 10.130 5.651 ( -5.805 -2.100 -0.407) 6.186 5.651 ( 5.805 -2.100 -0.407) 6.186 5.699 ( -10.567 -6.844 -5.269) 13.648 5.699 ( 10.567 -6.844 -5.269) 13.647 5.929 ( -3.346 13.166 7.947) 15.738 5.929 ( 3.346 13.166 7.947) 15.738 6.066 ( -1.830 6.177 -5.098) 8.215 6.066 ( 1.830 6.177 -5.098) 8.215 6.334 ( -1.846 3.512 5.705) 6.949 6.334 ( 1.846 3.512 5.705) 6.949 6.429 ( -2.411 0.181 -3.336) 4.120 6.429 ( 2.411 0.181 -3.336) 4.120 6.649 ( -4.165 4.950 3.661) 7.433 6.649 ( 4.165 4.950 3.661) 7.433 6.806 ( -3.945 -7.057 -10.173) 12.994 6.806 ( 3.945 -7.057 -10.173) 12.994 7.149 ( -7.170 1.159 6.340) 9.641 7.149 ( 7.170 1.159 6.340) 9.641 7.236 ( -4.116 -5.578 -2.365) 7.324 7.236 ( 4.116 -5.578 -2.365) 7.324 8.020 ( -6.845 8.899 12.655) 16.917 8.020 ( 6.845 8.899 12.655) 16.917 8.171 ( -6.043 -4.208 0.211) 7.366 8.171 ( 6.043 -4.208 0.211) 7.366 8.392 ( -6.071 8.866 7.478) 13.091 8.392 ( 6.071 8.866 7.478) 13.091 8.649 ( -3.582 -6.537 1.556) 7.615 8.649 ( 3.582 -6.537 1.556) 7.615 8.734 ( -5.258 -4.532 -12.030) 13.889 8.734 ( 5.258 -4.532 -12.030) 13.889 9.010 ( -6.502 -20.478 -20.823) 29.920 9.010 ( 6.502 -20.478 -20.823) 29.920 9.956 ( -1.786 3.136 1.483) 3.902 9.956 ( 1.786 3.136 1.483) 3.902 9.997 ( -2.994 -0.574 -2.597) 4.005 9.997 ( 2.994 -0.574 -2.597) 4.005 10.848 ( -5.160 1.142 6.767) 8.586 10.848 ( 5.160 1.142 6.767) 8.586 10.901 ( -2.190 -4.129 1.541) 4.922 10.901 ( 2.190 -4.129 1.541) 4.922 11.644 ( -3.800 9.987 5.768) 12.143 11.644 ( 3.800 9.987 5.768) 12.143 11.693 ( -0.831 7.599 3.023) 8.220 11.693 ( 0.831 7.599 3.023) 8.220 12.072 ( -2.714 2.332 2.524) 4.379 12.072 ( 2.714 2.332 2.524) 4.379 12.223 ( -1.375 -9.067 -10.899) 14.244 12.223 ( 1.375 -9.067 -10.899) 14.244 13.014 ( -0.723 0.500 3.823) 3.923 13.014 ( 0.723 0.500 3.823) 3.923 13.091 ( -3.202 -6.075 -3.670) 7.786 13.091 ( 3.202 -6.075 -3.670) 7.786 13.392 ( -2.087 1.663 0.365) 2.693 13.392 ( 2.087 1.663 0.365) 2.693 13.429 ( -0.777 -1.868 -3.425) 3.978 13.429 ( 0.777 -1.868 -3.425) 3.978 14.327 ( -5.400 5.001 5.640) 9.273 14.327 ( 5.400 5.001 5.640) 9.273 14.396 ( -4.261 4.200 0.194) 5.986 14.396 ( 4.261 4.200 0.194) 5.986 14.449 ( -2.962 -2.964 3.416) 5.407 14.449 ( 2.962 -2.964 3.416) 5.407 14.542 ( -4.509 -5.985 -4.024) 8.506 14.542 ( 4.509 -5.985 -4.024) 8.506 15.184 ( -2.652 4.425 0.413) 5.176 15.184 ( 2.652 4.425 0.413) 5.176 15.228 ( -1.735 0.127 -4.117) 4.469 15.228 ( 1.735 0.127 -4.117) 4.469 15.794 ( -1.317 -0.685 1.654) 2.222 15.794 ( 1.317 -0.685 1.654) 2.222 15.812 ( -2.233 -2.346 -0.138) 3.242 15.812 ( 2.233 -2.346 -0.138) 3.242 18.430 ( -7.044 1.929 1.460) 7.448 18.430 ( 7.044 1.929 1.460) 7.448 18.453 ( -3.198 0.792 -0.335) 3.311 18.453 ( 3.198 0.792 -0.335) 3.311 18.546 ( -3.101 -0.927 0.105) 3.239 18.546 ( 3.101 -0.927 0.105) 3.239 18.592 ( -6.286 -4.319 -4.143) 8.680 18.592 ( 6.286 -4.319 -4.143) 8.680 19.141 ( -0.780 3.551 3.649) 5.151 19.141 ( 0.780 3.551 3.649) 5.151 19.182 ( -1.048 0.154 -0.052) 1.060 19.182 ( 1.048 0.154 -0.052) 1.060 19.351 ( -0.314 0.407 1.237) 1.339 19.351 ( 0.314 0.407 1.237) 1.339 19.391 ( -0.874 -2.594 -2.391) 3.634 19.391 ( 0.874 -2.594 -2.391) 3.634 31.826 ( -0.223 0.454 -0.439) 0.669 31.826 ( 0.223 0.454 -0.439) 0.669 31.830 ( -0.292 0.036 -0.900) 0.947 31.830 ( 0.292 0.036 -0.900) 0.947 32.010 ( -0.134 0.493 1.304) 1.401 32.010 ( 0.134 0.493 1.304) 1.401 32.016 ( -0.122 -0.115 0.591) 0.615 32.016 ( 0.122 -0.115 0.591) 0.615 52.516 ( -1.405 5.420 1.490) 5.794 52.516 ( 1.405 5.420 1.490) 5.794 52.531 ( -1.447 4.156 0.084) 4.401 52.531 ( 1.447 4.156 0.084) 4.401 53.079 ( -2.778 -3.691 -0.235) 4.626 53.079 ( 2.778 -3.691 -0.235) 4.626 53.088 ( -1.860 -4.366 -1.092) 4.870 53.088 ( 1.860 -4.366 -1.092) 4.870 =================== 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 3/28800 10.0 991.416 519.346 554.117 0.000 0.000 -0.000 3/28800 20.0 143.908 127.409 156.363 0.000 0.000 -0.000 3/28800 30.0 46.606 47.423 54.736 0.000 0.000 -0.000 3/28800 40.0 23.626 24.822 27.770 0.000 0.000 -0.000 3/28800 50.0 14.942 15.720 17.345 0.000 0.000 -0.000 3/28800 60.0 10.750 11.245 12.308 0.000 0.000 -0.000 3/28800 70.0 8.381 8.714 9.488 0.000 0.000 -0.000 3/28800 80.0 6.889 7.131 7.737 0.000 0.000 -0.000 3/28800 90.0 5.873 6.061 6.561 0.000 0.000 -0.000 3/28800 100.0 5.138 5.294 5.724 0.000 0.000 -0.000 3/28800 110.0 4.583 4.719 5.098 0.000 0.000 -0.000 3/28800 120.0 4.147 4.271 4.613 0.000 0.000 -0.000 3/28800 130.0 3.795 3.911 4.224 0.000 0.000 -0.000 3/28800 140.0 3.505 3.614 3.904 0.000 0.000 -0.000 3/28800 150.0 3.260 3.364 3.635 0.000 0.000 -0.000 3/28800 160.0 3.051 3.151 3.406 0.000 0.000 -0.000 3/28800 170.0 2.870 2.966 3.207 0.000 0.000 -0.000 3/28800 180.0 2.711 2.803 3.032 0.000 0.000 -0.000 3/28800 190.0 2.571 2.659 2.877 0.000 0.000 -0.000 3/28800 200.0 2.445 2.530 2.738 0.000 0.000 -0.000 3/28800 210.0 2.332 2.414 2.613 0.000 0.000 -0.000 3/28800 220.0 2.230 2.308 2.499 0.000 0.000 -0.000 3/28800 230.0 2.137 2.212 2.395 0.000 0.000 -0.000 3/28800 240.0 2.052 2.124 2.300 0.000 0.000 -0.000 3/28800 250.0 1.973 2.043 2.213 0.000 0.000 -0.000 3/28800 260.0 1.901 1.967 2.132 0.000 0.000 -0.000 3/28800 270.0 1.834 1.898 2.056 0.000 0.000 -0.000 3/28800 280.0 1.772 1.833 1.986 0.000 0.000 -0.000 3/28800 290.0 1.714 1.773 1.921 0.000 0.000 -0.000 3/28800 300.0 1.660 1.716 1.860 0.000 0.000 -0.000 3/28800 310.0 1.609 1.663 1.803 0.000 0.000 -0.000 3/28800 320.0 1.561 1.613 1.749 0.000 0.000 -0.000 3/28800 330.0 1.516 1.566 1.698 0.000 0.000 -0.000 3/28800 340.0 1.474 1.522 1.650 0.000 0.000 -0.000 3/28800 350.0 1.434 1.480 1.605 0.000 0.000 -0.000 3/28800 360.0 1.396 1.441 1.562 0.000 0.000 -0.000 3/28800 370.0 1.360 1.403 1.522 0.000 0.000 -0.000 3/28800 380.0 1.326 1.368 1.483 0.000 0.000 -0.000 3/28800 390.0 1.294 1.334 1.447 0.000 0.000 -0.000 3/28800 400.0 1.263 1.302 1.412 0.000 0.000 -0.000 3/28800 410.0 1.234 1.271 1.378 0.000 0.000 -0.000 3/28800 420.0 1.206 1.242 1.347 0.000 0.000 -0.000 3/28800 430.0 1.179 1.214 1.317 0.000 0.000 -0.000 3/28800 440.0 1.154 1.188 1.288 0.000 0.000 -0.000 3/28800 450.0 1.129 1.162 1.260 0.000 0.000 -0.000 3/28800 460.0 1.106 1.138 1.233 0.000 0.000 -0.000 3/28800 470.0 1.083 1.114 1.208 0.000 0.000 -0.000 3/28800 480.0 1.062 1.092 1.184 0.000 0.000 -0.000 3/28800 490.0 1.041 1.070 1.160 0.000 0.000 -0.000 3/28800 500.0 1.021 1.049 1.138 0.000 0.000 -0.000 3/28800 510.0 1.002 1.029 1.116 0.000 0.000 -0.000 3/28800 520.0 0.983 1.010 1.095 0.000 0.000 -0.000 3/28800 530.0 0.966 0.992 1.075 0.000 0.000 -0.000 3/28800 540.0 0.948 0.974 1.056 0.000 0.000 -0.000 3/28800 550.0 0.932 0.957 1.037 0.000 0.000 -0.000 3/28800 560.0 0.916 0.940 1.019 0.000 0.000 -0.000 3/28800 570.0 0.901 0.924 1.001 0.000 0.000 -0.000 3/28800 580.0 0.886 0.908 0.985 0.000 0.000 -0.000 3/28800 590.0 0.871 0.893 0.968 0.000 0.000 -0.000 3/28800 600.0 0.857 0.879 0.953 0.000 0.000 -0.000 3/28800 610.0 0.844 0.865 0.937 0.000 0.000 -0.000 3/28800 620.0 0.831 0.851 0.923 0.000 0.000 -0.000 3/28800 630.0 0.818 0.838 0.908 0.000 0.000 -0.000 3/28800 640.0 0.806 0.825 0.894 0.000 0.000 -0.000 3/28800 650.0 0.794 0.813 0.881 0.000 0.000 -0.000 3/28800 660.0 0.782 0.801 0.868 0.000 0.000 -0.000 3/28800 670.0 0.771 0.789 0.855 0.000 0.000 -0.000 3/28800 680.0 0.760 0.778 0.843 0.000 0.000 -0.000 3/28800 690.0 0.749 0.767 0.831 0.000 0.000 -0.000 3/28800 700.0 0.739 0.756 0.819 0.000 0.000 -0.000 3/28800 710.0 0.729 0.746 0.808 0.000 0.000 -0.000 3/28800 720.0 0.719 0.736 0.797 0.000 0.000 -0.000 3/28800 730.0 0.710 0.726 0.786 0.000 0.000 -0.000 3/28800 740.0 0.700 0.717 0.776 0.000 0.000 -0.000 3/28800 750.0 0.691 0.707 0.766 0.000 0.000 -0.000 3/28800 760.0 0.683 0.698 0.756 0.000 0.000 -0.000 3/28800 770.0 0.674 0.689 0.746 0.000 0.000 -0.000 3/28800 780.0 0.666 0.681 0.737 0.000 0.000 -0.000 3/28800 790.0 0.658 0.672 0.728 0.000 0.000 -0.000 3/28800 800.0 0.650 0.664 0.719 0.000 0.000 -0.000 3/28800 810.0 0.642 0.656 0.710 0.000 0.000 -0.000 3/28800 820.0 0.634 0.648 0.702 0.000 0.000 -0.000 3/28800 830.0 0.627 0.641 0.694 0.000 0.000 -0.000 3/28800 840.0 0.620 0.633 0.685 0.000 0.000 -0.000 3/28800 850.0 0.613 0.626 0.678 0.000 0.000 -0.000 3/28800 860.0 0.606 0.619 0.670 0.000 0.000 -0.000 3/28800 870.0 0.599 0.612 0.662 0.000 0.000 -0.000 3/28800 880.0 0.592 0.605 0.655 0.000 0.000 -0.000 3/28800 890.0 0.586 0.598 0.648 0.000 0.000 -0.000 3/28800 900.0 0.580 0.592 0.641 0.000 0.000 -0.000 3/28800 910.0 0.573 0.586 0.634 0.000 0.000 -0.000 3/28800 920.0 0.567 0.579 0.627 0.000 0.000 -0.000 3/28800 930.0 0.562 0.573 0.620 0.000 0.000 -0.000 3/28800 940.0 0.556 0.567 0.614 0.000 0.000 -0.000 3/28800 950.0 0.550 0.561 0.607 0.000 0.000 -0.000 3/28800 960.0 0.545 0.556 0.601 0.000 0.000 -0.000 3/28800 970.0 0.539 0.550 0.595 0.000 0.000 -0.000 3/28800 980.0 0.534 0.545 0.589 0.000 0.000 -0.000 3/28800 990.0 0.529 0.539 0.583 0.000 0.000 -0.000 3/28800 1000.0 0.523 0.534 0.578 0.000 0.000 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:10:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|