----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:04:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.313842425000000 -4.501986275000000 0.000000000000000 b 3.313842425000000 4.501986275000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.933429340000000 Atomic positions (fractional): *1 K 0.62782582312314 0.37217417687686 0.25000000000000 39.098 2 K 0.37217417687686 0.62782582312314 0.75000000000000 39.098 *3 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 4 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 *5 Sb 0.26748750417960 0.73251249582040 0.36203210229644 121.760 6 Sb 0.73251249582040 0.26748750417960 0.63796789770356 121.760 7 Sb 0.26748750417960 0.73251249582040 0.13796789770356 121.760 8 Sb 0.73251249582040 0.26748750417960 0.86203210229644 121.760 *9 Sb 0.88566962767101 0.11433037232899 0.07728207472103 121.760 10 Sb 0.88566962767101 0.11433037232899 0.42271792527897 121.760 11 Sb 0.11433037232899 0.88566962767101 0.57728207472103 121.760 12 Sb 0.11433037232899 0.88566962767101 0.92271792527897 121.760 *13 O 0.97304785733139 0.43187529802862 0.13269513857635 15.999 14 O 0.97304785733139 0.43187529802862 0.36730486142365 15.999 15 O 0.43187529802862 0.97304785733139 0.63269513857635 15.999 16 O 0.43187529802862 0.97304785733139 0.86730486142365 15.999 *17 O 0.18934074740990 0.18934074740990 0.00000000000000 15.999 18 O 0.18934074740990 0.18934074740990 0.50000000000000 15.999 *19 O 0.05256434002311 0.94743565997689 0.34885971219321 15.999 *20 O 0.48454317456045 0.51545682543955 0.11323093504254 15.999 21 O 0.51545682543955 0.48454317456045 0.61323093504254 15.999 *22 O 0.31589932558106 0.68410067441894 0.25000000000000 15.999 *23 O 0.72574041678410 0.27425958321590 0.51014683331552 15.999 24 O 0.94743565997689 0.05256434002311 0.65114028780679 15.999 25 O 0.27425958321590 0.72574041678410 0.01014683331552 15.999 26 O 0.51545682543955 0.48454317456045 0.88676906495746 15.999 27 O 0.05256434002311 0.94743565997689 0.15114028780679 15.999 28 O 0.94743565997689 0.05256434002311 0.84885971219321 15.999 29 O 0.68410067441894 0.31589932558106 0.75000000000000 15.999 30 O 0.72574041678410 0.27425958321590 0.98985316668448 15.999 31 O 0.48454317456045 0.51545682543955 0.38676906495746 15.999 32 O 0.27425958321590 0.72574041678410 0.48985316668448 15.999 33 O 0.81065925259010 0.81065925259010 0.00000000000000 15.999 34 O 0.81065925259010 0.81065925259010 0.50000000000000 15.999 35 O 0.56812470197138 0.02695214266861 0.13269513857635 15.999 36 O 0.56812470197138 0.02695214266861 0.36730486142365 15.999 37 O 0.02695214266861 0.56812470197138 0.63269513857635 15.999 38 O 0.02695214266861 0.56812470197138 0.86730486142365 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.627684850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.003972550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.933429340000000 Atomic positions (fractional): *1 K 0.50000000000000 0.87217417687686 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.12782582312314 0.75000000000000 39.098 > 2 3 K 0.00000000000000 0.37217417687686 0.25000000000000 39.098 > 1 4 K 0.00000000000000 0.62782582312314 0.75000000000000 39.098 > 2 *5 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 3 6 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 4 *7 Sb 0.50000000000000 0.23251249582040 0.36203210229644 121.760 > 5 8 Sb 0.50000000000000 0.76748750417960 0.63796789770356 121.760 > 6 9 Sb 0.50000000000000 0.23251249582040 0.13796789770356 121.760 > 7 10 Sb 0.50000000000000 0.76748750417960 0.86203210229644 121.760 > 8 *11 Sb 0.50000000000000 0.61433037232899 0.07728207472103 121.760 > 9 12 Sb 0.50000000000000 0.61433037232899 0.42271792527897 121.760 > 10 13 Sb 0.50000000000000 0.38566962767101 0.57728207472103 121.760 > 11 14 Sb 0.50000000000000 0.38566962767101 0.92271792527897 121.760 > 12 15 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 3 16 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 4 17 Sb 0.00000000000000 0.73251249582040 0.36203210229644 121.760 > 5 18 Sb 0.00000000000000 0.26748750417960 0.63796789770356 121.760 > 6 19 Sb 0.00000000000000 0.73251249582040 0.13796789770356 121.760 > 7 20 Sb 0.00000000000000 0.26748750417960 0.86203210229644 121.760 > 8 21 Sb 0.00000000000000 0.11433037232899 0.07728207472103 121.760 > 9 22 Sb 0.00000000000000 0.11433037232899 0.42271792527897 121.760 > 10 23 Sb 0.00000000000000 0.88566962767101 0.57728207472103 121.760 > 11 24 Sb 0.00000000000000 0.88566962767101 0.92271792527897 121.760 > 12 *25 O 0.70246157768000 0.72941372034861 0.13269513857635 15.999 > 13 26 O 0.70246157768000 0.72941372034861 0.36730486142365 15.999 > 14 27 O 0.70246157768000 0.27058627965139 0.63269513857635 15.999 > 15 28 O 0.70246157768000 0.27058627965139 0.86730486142365 15.999 > 16 *29 O 0.18934074740990 0.00000000000000 0.00000000000000 15.999 > 17 30 O 0.18934074740990 0.00000000000000 0.50000000000000 15.999 > 18 *31 O 0.50000000000000 0.44743565997689 0.34885971219321 15.999 > 19 *32 O 0.50000000000000 0.01545682543955 0.11323093504254 15.999 > 20 33 O 0.50000000000000 0.98454317456045 0.61323093504254 15.999 > 21 *34 O 0.50000000000000 0.18410067441894 0.25000000000000 15.999 > 22 *35 O 0.50000000000000 0.77425958321590 0.51014683331552 15.999 > 23 36 O 0.50000000000000 0.55256434002311 0.65114028780679 15.999 > 24 37 O 0.50000000000000 0.22574041678410 0.01014683331552 15.999 > 25 38 O 0.50000000000000 0.98454317456045 0.88676906495746 15.999 > 26 39 O 0.50000000000000 0.44743565997689 0.15114028780679 15.999 > 27 40 O 0.50000000000000 0.55256434002311 0.84885971219321 15.999 > 28 41 O 0.50000000000000 0.81589932558106 0.75000000000000 15.999 > 29 42 O 0.50000000000000 0.77425958321590 0.98985316668448 15.999 > 30 43 O 0.50000000000000 0.01545682543955 0.38676906495746 15.999 > 31 44 O 0.50000000000000 0.22574041678410 0.48985316668448 15.999 > 32 45 O 0.81065925259010 0.00000000000000 0.00000000000000 15.999 > 33 46 O 0.81065925259010 0.00000000000000 0.50000000000000 15.999 > 34 47 O 0.29753842232000 0.72941372034861 0.13269513857635 15.999 > 35 48 O 0.29753842232000 0.72941372034861 0.36730486142365 15.999 > 36 49 O 0.29753842232000 0.27058627965139 0.63269513857635 15.999 > 37 50 O 0.29753842232000 0.27058627965139 0.86730486142365 15.999 > 38 51 O 0.20246157768000 0.22941372034861 0.13269513857635 15.999 > 13 52 O 0.20246157768000 0.22941372034861 0.36730486142365 15.999 > 14 53 O 0.20246157768000 0.77058627965139 0.63269513857635 15.999 > 15 54 O 0.20246157768000 0.77058627965139 0.86730486142365 15.999 > 16 55 O 0.68934074740990 0.50000000000000 0.00000000000000 15.999 > 17 56 O 0.68934074740990 0.50000000000000 0.50000000000000 15.999 > 18 57 O 0.00000000000000 0.94743565997689 0.34885971219321 15.999 > 19 58 O 0.00000000000000 0.51545682543955 0.11323093504254 15.999 > 20 59 O 0.00000000000000 0.48454317456045 0.61323093504254 15.999 > 21 60 O 0.00000000000000 0.68410067441894 0.25000000000000 15.999 > 22 61 O 0.00000000000000 0.27425958321590 0.51014683331552 15.999 > 23 62 O 0.00000000000000 0.05256434002311 0.65114028780679 15.999 > 24 63 O 0.00000000000000 0.72574041678410 0.01014683331552 15.999 > 25 64 O 0.00000000000000 0.48454317456045 0.88676906495746 15.999 > 26 65 O 0.00000000000000 0.94743565997689 0.15114028780679 15.999 > 27 66 O 0.00000000000000 0.05256434002311 0.84885971219321 15.999 > 28 67 O 0.00000000000000 0.31589932558106 0.75000000000000 15.999 > 29 68 O 0.00000000000000 0.27425958321590 0.98985316668448 15.999 > 30 69 O 0.00000000000000 0.51545682543955 0.38676906495746 15.999 > 31 70 O 0.00000000000000 0.72574041678410 0.48985316668448 15.999 > 32 71 O 0.31065925259010 0.50000000000000 0.00000000000000 15.999 > 33 72 O 0.31065925259010 0.50000000000000 0.50000000000000 15.999 > 34 73 O 0.79753842232000 0.22941372034861 0.13269513857635 15.999 > 35 74 O 0.79753842232000 0.22941372034861 0.36730486142365 15.999 > 36 75 O 0.79753842232000 0.77058627965139 0.63269513857635 15.999 > 37 76 O 0.79753842232000 0.77058627965139 0.86730486142365 15.999 > 38 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.627684850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.003972550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.933429340000000 Atomic positions (fractional): *1 K 0.50000000000000 0.87217417687686 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.12782582312314 0.75000000000000 39.098 > 2 3 K 0.00000000000000 0.37217417687686 0.25000000000000 39.098 > 1 4 K 0.00000000000000 0.62782582312314 0.75000000000000 39.098 > 2 *5 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 3 6 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 4 *7 Sb 0.50000000000000 0.23251249582040 0.36203210229644 121.760 > 5 8 Sb 0.50000000000000 0.76748750417960 0.63796789770356 121.760 > 6 9 Sb 0.50000000000000 0.23251249582040 0.13796789770356 121.760 > 7 10 Sb 0.50000000000000 0.76748750417960 0.86203210229644 121.760 > 8 *11 Sb 0.50000000000000 0.61433037232899 0.07728207472103 121.760 > 9 12 Sb 0.50000000000000 0.61433037232899 0.42271792527897 121.760 > 10 13 Sb 0.50000000000000 0.38566962767101 0.57728207472103 121.760 > 11 14 Sb 0.50000000000000 0.38566962767101 0.92271792527897 121.760 > 12 15 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 3 16 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 4 17 Sb 0.00000000000000 0.73251249582040 0.36203210229644 121.760 > 5 18 Sb 0.00000000000000 0.26748750417960 0.63796789770356 121.760 > 6 19 Sb 0.00000000000000 0.73251249582040 0.13796789770356 121.760 > 7 20 Sb 0.00000000000000 0.26748750417960 0.86203210229644 121.760 > 8 21 Sb 0.00000000000000 0.11433037232899 0.07728207472103 121.760 > 9 22 Sb 0.00000000000000 0.11433037232899 0.42271792527897 121.760 > 10 23 Sb 0.00000000000000 0.88566962767101 0.57728207472103 121.760 > 11 24 Sb 0.00000000000000 0.88566962767101 0.92271792527897 121.760 > 12 *25 O 0.70246157768000 0.72941372034861 0.13269513857635 15.999 > 13 26 O 0.70246157768000 0.72941372034861 0.36730486142365 15.999 > 14 27 O 0.70246157768000 0.27058627965139 0.63269513857635 15.999 > 15 28 O 0.70246157768000 0.27058627965139 0.86730486142365 15.999 > 16 *29 O 0.18934074740990 0.00000000000000 0.00000000000000 15.999 > 17 30 O 0.18934074740990 0.00000000000000 0.50000000000000 15.999 > 18 *31 O 0.50000000000000 0.44743565997689 0.34885971219321 15.999 > 19 *32 O 0.50000000000000 0.01545682543955 0.11323093504254 15.999 > 20 33 O 0.50000000000000 0.98454317456045 0.61323093504254 15.999 > 21 *34 O 0.50000000000000 0.18410067441894 0.25000000000000 15.999 > 22 *35 O 0.50000000000000 0.77425958321590 0.51014683331552 15.999 > 23 36 O 0.50000000000000 0.55256434002311 0.65114028780679 15.999 > 24 37 O 0.50000000000000 0.22574041678410 0.01014683331552 15.999 > 25 38 O 0.50000000000000 0.98454317456045 0.88676906495746 15.999 > 26 39 O 0.50000000000000 0.44743565997689 0.15114028780679 15.999 > 27 40 O 0.50000000000000 0.55256434002311 0.84885971219321 15.999 > 28 41 O 0.50000000000000 0.81589932558106 0.75000000000000 15.999 > 29 42 O 0.50000000000000 0.77425958321590 0.98985316668448 15.999 > 30 43 O 0.50000000000000 0.01545682543955 0.38676906495746 15.999 > 31 44 O 0.50000000000000 0.22574041678410 0.48985316668448 15.999 > 32 45 O 0.81065925259010 0.00000000000000 0.00000000000000 15.999 > 33 46 O 0.81065925259010 0.00000000000000 0.50000000000000 15.999 > 34 47 O 0.29753842232000 0.72941372034861 0.13269513857635 15.999 > 35 48 O 0.29753842232000 0.72941372034861 0.36730486142365 15.999 > 36 49 O 0.29753842232000 0.27058627965139 0.63269513857635 15.999 > 37 50 O 0.29753842232000 0.27058627965139 0.86730486142365 15.999 > 38 51 O 0.20246157768000 0.22941372034861 0.13269513857635 15.999 > 13 52 O 0.20246157768000 0.22941372034861 0.36730486142365 15.999 > 14 53 O 0.20246157768000 0.77058627965139 0.63269513857635 15.999 > 15 54 O 0.20246157768000 0.77058627965139 0.86730486142365 15.999 > 16 55 O 0.68934074740990 0.50000000000000 0.00000000000000 15.999 > 17 56 O 0.68934074740990 0.50000000000000 0.50000000000000 15.999 > 18 57 O 0.00000000000000 0.94743565997689 0.34885971219321 15.999 > 19 58 O 0.00000000000000 0.51545682543955 0.11323093504254 15.999 > 20 59 O 0.00000000000000 0.48454317456045 0.61323093504254 15.999 > 21 60 O 0.00000000000000 0.68410067441894 0.25000000000000 15.999 > 22 61 O 0.00000000000000 0.27425958321590 0.51014683331552 15.999 > 23 62 O 0.00000000000000 0.05256434002311 0.65114028780679 15.999 > 24 63 O 0.00000000000000 0.72574041678410 0.01014683331552 15.999 > 25 64 O 0.00000000000000 0.48454317456045 0.88676906495746 15.999 > 26 65 O 0.00000000000000 0.94743565997689 0.15114028780679 15.999 > 27 66 O 0.00000000000000 0.05256434002311 0.84885971219321 15.999 > 28 67 O 0.00000000000000 0.31589932558106 0.75000000000000 15.999 > 29 68 O 0.00000000000000 0.27425958321590 0.98985316668448 15.999 > 30 69 O 0.00000000000000 0.51545682543955 0.38676906495746 15.999 > 31 70 O 0.00000000000000 0.72574041678410 0.48985316668448 15.999 > 32 71 O 0.31065925259010 0.50000000000000 0.00000000000000 15.999 > 33 72 O 0.31065925259010 0.50000000000000 0.50000000000000 15.999 > 34 73 O 0.79753842232000 0.22941372034861 0.13269513857635 15.999 > 35 74 O 0.79753842232000 0.22941372034861 0.36730486142365 15.999 > 36 75 O 0.79753842232000 0.77058627965139 0.63269513857635 15.999 > 37 76 O 0.79753842232000 0.77058627965139 0.86730486142365 15.999 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3366132 0.0000000 0.0000000 0.0000000 4.3313923 0.0000000 0.0000000 0.0000000 3.9989672 -------------------------- Born effective charges -------------------------- 1 K 1.0498662 0.0000000 0.0000000 0.0000000 1.2295289 -0.0000000 0.0000000 -0.0000000 1.7845266 2 K 1.0498662 0.0000000 0.0000000 0.0000000 1.2295289 -0.0000000 0.0000000 -0.0000000 1.7845266 3 Sb 5.5767346 0.0000000 0.0000000 0.0000000 5.1025751 1.0842426 0.0000000 -0.0342129 3.0184375 4 Sb 5.5767346 0.0000000 0.0000000 0.0000000 5.1025751 -1.0842426 0.0000000 0.0342129 3.0184375 5 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 -0.4147217 0.0000000 0.1593856 5.5958440 6 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 -0.4147217 0.0000000 0.1593856 5.5958440 7 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 0.4147217 0.0000000 -0.1593856 5.5958440 8 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 0.4147217 0.0000000 -0.1593856 5.5958440 9 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 -0.7682138 0.0000000 0.2670338 3.8325744 10 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 0.7682138 0.0000000 -0.2670338 3.8325744 11 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 0.7682138 0.0000000 -0.2670338 3.8325744 12 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 -0.7682138 0.0000000 0.2670338 3.8325744 13 O -2.9655808 -0.4737631 -0.4543884 -0.4036795 -1.4268040 -0.1854769 -0.3914077 -0.2750578 -1.3802235 14 O -2.9655808 -0.4737631 0.4543884 -0.4036795 -1.4268040 0.1854769 0.3914077 0.2750578 -1.3802235 15 O -2.9655808 0.4737631 -0.4543884 0.4036795 -1.4268040 0.1854769 -0.3914077 0.2750578 -1.3802235 16 O -2.9655808 0.4737631 0.4543884 0.4036795 -1.4268040 -0.1854769 0.3914077 -0.2750578 -1.3802235 17 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 -0.4827080 0.0000000 -0.5126307 -1.5472727 18 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 0.4827080 0.0000000 0.5126307 -1.5472727 19 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 -0.5622191 0.0000000 -0.6442779 -1.3478248 20 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 -0.3304879 0.0000000 -0.3997754 -1.8321981 21 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 0.3304879 0.0000000 0.3997754 -1.8321981 22 O -1.0992450 0.0000000 0.0000000 0.0000000 -1.2472029 -0.0000000 0.0000000 -0.0000000 -4.5220394 23 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 -0.3987964 0.0000000 -0.3003495 -2.0811381 24 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 -0.5622191 0.0000000 -0.6442779 -1.3478248 25 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 0.3987964 0.0000000 0.3003495 -2.0811381 26 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 -0.3304879 0.0000000 -0.3997754 -1.8321981 27 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 0.5622191 0.0000000 0.6442779 -1.3478248 28 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 0.5622191 0.0000000 0.6442779 -1.3478248 29 O -1.0992450 0.0000000 0.0000000 0.0000000 -1.2472029 -0.0000000 0.0000000 -0.0000000 -4.5220394 30 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 0.3987964 0.0000000 0.3003495 -2.0811381 31 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 0.3304879 0.0000000 0.3997754 -1.8321981 32 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 -0.3987964 0.0000000 -0.3003495 -2.0811381 33 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 -0.4827080 0.0000000 -0.5126307 -1.5472727 34 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 0.4827080 0.0000000 0.5126307 -1.5472727 35 O -2.9655808 0.4737631 0.4543884 0.4036795 -1.4268040 -0.1854769 0.3914077 -0.2750578 -1.3802235 36 O -2.9655808 0.4737631 -0.4543884 0.4036795 -1.4268040 0.1854769 -0.3914077 0.2750578 -1.3802235 37 O -2.9655808 -0.4737631 0.4543884 -0.4036795 -1.4268040 0.1854769 0.3914077 0.2750578 -1.3802235 38 O -2.9655808 -0.4737631 -0.4543884 -0.4036795 -1.4268040 -0.1854769 -0.3914077 -0.2750578 -1.3802235 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 16449/16449 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1836 Number of blocks in projector: 1836 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: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 234 eigenvectors found. (2) Block: 532 / 532 (2) 266 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1836, 1786), data: False |-- (184, 182), data: True |-- (184, 182), data: True |-- (312, 302), data: True |-- (312, 302), data: True |-- (312, 302), data: True |-- (532, 516), data: False |-- (532, 516), data: False |-- (532, 16), data: (532, 32) @ (32, 16) |-- (282, 266), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 1.933 Solver_block: 200 / 640 - Time: 1.938 Solver_block: 300 / 640 - Time: 1.938 Solver_block: 400 / 640 - Time: 1.933 Solver_block: 500 / 640 - Time: 1.936 Solver_block: 600 / 640 - Time: 1.932 Solver_block: 640 / 640 - Time: 0.849 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.503 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 228/228 Permutation basis: 16449/16449 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1836 Number of blocks in projector: 1836 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: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 234 eigenvectors found. (2) Block: 532 / 532 (2) 266 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1836, 1786), data: False |-- (184, 182), data: True |-- (184, 182), data: True |-- (312, 302), data: True |-- (312, 302), data: True |-- (312, 302), data: True |-- (532, 516), data: False |-- (532, 516), data: False |-- (532, 16), data: (532, 32) @ (32, 16) |-- (282, 266), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:04:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:04:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.313842425000000 -4.501986275000000 0.000000000000000 b 3.313842425000000 4.501986275000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.933429340000000 Atomic positions (fractional): 1 K 0.62782582312314 0.37217417687686 0.25000000000000 39.098 2 K 0.37217417687686 0.62782582312314 0.75000000000000 39.098 3 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 4 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 5 Sb 0.26748750417960 0.73251249582040 0.36203210229644 121.760 6 Sb 0.73251249582040 0.26748750417960 0.63796789770356 121.760 7 Sb 0.26748750417960 0.73251249582040 0.13796789770356 121.760 8 Sb 0.73251249582040 0.26748750417960 0.86203210229644 121.760 9 Sb 0.88566962767101 0.11433037232899 0.07728207472103 121.760 10 Sb 0.88566962767101 0.11433037232899 0.42271792527897 121.760 11 Sb 0.11433037232899 0.88566962767101 0.57728207472103 121.760 12 Sb 0.11433037232899 0.88566962767101 0.92271792527897 121.760 13 O 0.97304785733139 0.43187529802862 0.13269513857635 15.999 14 O 0.97304785733139 0.43187529802862 0.36730486142365 15.999 15 O 0.43187529802862 0.97304785733139 0.63269513857635 15.999 16 O 0.43187529802862 0.97304785733139 0.86730486142365 15.999 17 O 0.18934074740990 0.18934074740990 0.00000000000000 15.999 18 O 0.18934074740990 0.18934074740990 0.50000000000000 15.999 19 O 0.05256434002311 0.94743565997689 0.34885971219321 15.999 20 O 0.48454317456045 0.51545682543955 0.11323093504254 15.999 21 O 0.51545682543955 0.48454317456045 0.61323093504254 15.999 22 O 0.31589932558106 0.68410067441894 0.25000000000000 15.999 23 O 0.72574041678410 0.27425958321590 0.51014683331552 15.999 24 O 0.94743565997689 0.05256434002311 0.65114028780679 15.999 25 O 0.27425958321590 0.72574041678410 0.01014683331552 15.999 26 O 0.51545682543955 0.48454317456045 0.88676906495746 15.999 27 O 0.05256434002311 0.94743565997689 0.15114028780679 15.999 28 O 0.94743565997689 0.05256434002311 0.84885971219321 15.999 29 O 0.68410067441894 0.31589932558106 0.75000000000000 15.999 30 O 0.72574041678410 0.27425958321590 0.98985316668448 15.999 31 O 0.48454317456045 0.51545682543955 0.38676906495746 15.999 32 O 0.27425958321590 0.72574041678410 0.48985316668448 15.999 33 O 0.81065925259010 0.81065925259010 0.00000000000000 15.999 34 O 0.81065925259010 0.81065925259010 0.50000000000000 15.999 35 O 0.56812470197138 0.02695214266861 0.13269513857635 15.999 36 O 0.56812470197138 0.02695214266861 0.36730486142365 15.999 37 O 0.02695214266861 0.56812470197138 0.63269513857635 15.999 38 O 0.02695214266861 0.56812470197138 0.86730486142365 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.627684850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.003972550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.933429340000000 Atomic positions (fractional): 1 K 0.50000000000000 0.87217417687686 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.12782582312314 0.75000000000000 39.098 > 2 3 K 0.00000000000000 0.37217417687686 0.25000000000000 39.098 > 1 4 K 0.00000000000000 0.62782582312314 0.75000000000000 39.098 > 2 5 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 5 6 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 6 7 Sb 0.50000000000000 0.23251249582040 0.36203210229644 121.760 > 7 8 Sb 0.50000000000000 0.76748750417960 0.63796789770356 121.760 > 8 9 Sb 0.50000000000000 0.23251249582040 0.13796789770356 121.760 > 9 10 Sb 0.50000000000000 0.76748750417960 0.86203210229644 121.760 > 10 11 Sb 0.50000000000000 0.61433037232899 0.07728207472103 121.760 > 11 12 Sb 0.50000000000000 0.61433037232899 0.42271792527897 121.760 > 12 13 Sb 0.50000000000000 0.38566962767101 0.57728207472103 121.760 > 13 14 Sb 0.50000000000000 0.38566962767101 0.92271792527897 121.760 > 14 15 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 5 16 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 6 17 Sb 0.00000000000000 0.73251249582040 0.36203210229644 121.760 > 7 18 Sb 0.00000000000000 0.26748750417960 0.63796789770356 121.760 > 8 19 Sb 0.00000000000000 0.73251249582040 0.13796789770356 121.760 > 9 20 Sb 0.00000000000000 0.26748750417960 0.86203210229644 121.760 > 10 21 Sb 0.00000000000000 0.11433037232899 0.07728207472103 121.760 > 11 22 Sb 0.00000000000000 0.11433037232899 0.42271792527897 121.760 > 12 23 Sb 0.00000000000000 0.88566962767101 0.57728207472103 121.760 > 13 24 Sb 0.00000000000000 0.88566962767101 0.92271792527897 121.760 > 14 25 O 0.70246157768000 0.72941372034861 0.13269513857635 15.999 > 25 26 O 0.70246157768000 0.72941372034861 0.36730486142365 15.999 > 26 27 O 0.70246157768000 0.27058627965139 0.63269513857635 15.999 > 27 28 O 0.70246157768000 0.27058627965139 0.86730486142365 15.999 > 28 29 O 0.18934074740990 0.00000000000000 0.00000000000000 15.999 > 29 30 O 0.18934074740990 0.00000000000000 0.50000000000000 15.999 > 30 31 O 0.50000000000000 0.44743565997689 0.34885971219321 15.999 > 31 32 O 0.50000000000000 0.01545682543955 0.11323093504254 15.999 > 32 33 O 0.50000000000000 0.98454317456045 0.61323093504254 15.999 > 33 34 O 0.50000000000000 0.18410067441894 0.25000000000000 15.999 > 34 35 O 0.50000000000000 0.77425958321590 0.51014683331552 15.999 > 35 36 O 0.50000000000000 0.55256434002311 0.65114028780679 15.999 > 36 37 O 0.50000000000000 0.22574041678410 0.01014683331552 15.999 > 37 38 O 0.50000000000000 0.98454317456045 0.88676906495746 15.999 > 38 39 O 0.50000000000000 0.44743565997689 0.15114028780679 15.999 > 39 40 O 0.50000000000000 0.55256434002311 0.84885971219321 15.999 > 40 41 O 0.50000000000000 0.81589932558106 0.75000000000000 15.999 > 41 42 O 0.50000000000000 0.77425958321590 0.98985316668448 15.999 > 42 43 O 0.50000000000000 0.01545682543955 0.38676906495746 15.999 > 43 44 O 0.50000000000000 0.22574041678410 0.48985316668448 15.999 > 44 45 O 0.81065925259010 0.00000000000000 0.00000000000000 15.999 > 45 46 O 0.81065925259010 0.00000000000000 0.50000000000000 15.999 > 46 47 O 0.29753842232000 0.72941372034861 0.13269513857635 15.999 > 47 48 O 0.29753842232000 0.72941372034861 0.36730486142365 15.999 > 48 49 O 0.29753842232000 0.27058627965139 0.63269513857635 15.999 > 49 50 O 0.29753842232000 0.27058627965139 0.86730486142365 15.999 > 50 51 O 0.20246157768000 0.22941372034861 0.13269513857635 15.999 > 25 52 O 0.20246157768000 0.22941372034861 0.36730486142365 15.999 > 26 53 O 0.20246157768000 0.77058627965139 0.63269513857635 15.999 > 27 54 O 0.20246157768000 0.77058627965139 0.86730486142365 15.999 > 28 55 O 0.68934074740990 0.50000000000000 0.00000000000000 15.999 > 29 56 O 0.68934074740990 0.50000000000000 0.50000000000000 15.999 > 30 57 O 0.00000000000000 0.94743565997689 0.34885971219321 15.999 > 31 58 O 0.00000000000000 0.51545682543955 0.11323093504254 15.999 > 32 59 O 0.00000000000000 0.48454317456045 0.61323093504254 15.999 > 33 60 O 0.00000000000000 0.68410067441894 0.25000000000000 15.999 > 34 61 O 0.00000000000000 0.27425958321590 0.51014683331552 15.999 > 35 62 O 0.00000000000000 0.05256434002311 0.65114028780679 15.999 > 36 63 O 0.00000000000000 0.72574041678410 0.01014683331552 15.999 > 37 64 O 0.00000000000000 0.48454317456045 0.88676906495746 15.999 > 38 65 O 0.00000000000000 0.94743565997689 0.15114028780679 15.999 > 39 66 O 0.00000000000000 0.05256434002311 0.84885971219321 15.999 > 40 67 O 0.00000000000000 0.31589932558106 0.75000000000000 15.999 > 41 68 O 0.00000000000000 0.27425958321590 0.98985316668448 15.999 > 42 69 O 0.00000000000000 0.51545682543955 0.38676906495746 15.999 > 43 70 O 0.00000000000000 0.72574041678410 0.48985316668448 15.999 > 44 71 O 0.31065925259010 0.50000000000000 0.00000000000000 15.999 > 45 72 O 0.31065925259010 0.50000000000000 0.50000000000000 15.999 > 46 73 O 0.79753842232000 0.22941372034861 0.13269513857635 15.999 > 47 74 O 0.79753842232000 0.22941372034861 0.36730486142365 15.999 > 48 75 O 0.79753842232000 0.77058627965139 0.63269513857635 15.999 > 49 76 O 0.79753842232000 0.77058627965139 0.86730486142365 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3366132 0.0000000 0.0000000 0.0000000 4.3313923 0.0000000 0.0000000 0.0000000 3.9989672 -------------------------- Born effective charges -------------------------- 1 K 1.0498662 0.0000000 0.0000000 0.0000000 1.2295289 -0.0000000 0.0000000 -0.0000000 1.7845266 2 K 1.0498662 0.0000000 0.0000000 0.0000000 1.2295289 -0.0000000 0.0000000 -0.0000000 1.7845266 3 Sb 5.5767346 0.0000000 0.0000000 0.0000000 5.1025751 1.0842426 0.0000000 -0.0342129 3.0184375 4 Sb 5.5767346 0.0000000 0.0000000 0.0000000 5.1025751 -1.0842426 0.0000000 0.0342129 3.0184375 5 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 -0.4147217 0.0000000 0.1593856 5.5958440 6 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 -0.4147217 0.0000000 0.1593856 5.5958440 7 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 0.4147217 0.0000000 -0.1593856 5.5958440 8 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 0.4147217 0.0000000 -0.1593856 5.5958440 9 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 -0.7682138 0.0000000 0.2670338 3.8325744 10 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 0.7682138 0.0000000 -0.2670338 3.8325744 11 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 0.7682138 0.0000000 -0.2670338 3.8325744 12 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 -0.7682138 0.0000000 0.2670338 3.8325744 13 O -2.9655808 -0.4737631 -0.4543884 -0.4036795 -1.4268040 -0.1854769 -0.3914077 -0.2750578 -1.3802235 14 O -2.9655808 -0.4737631 0.4543884 -0.4036795 -1.4268040 0.1854769 0.3914077 0.2750578 -1.3802235 15 O -2.9655808 0.4737631 -0.4543884 0.4036795 -1.4268040 0.1854769 -0.3914077 0.2750578 -1.3802235 16 O -2.9655808 0.4737631 0.4543884 0.4036795 -1.4268040 -0.1854769 0.3914077 -0.2750578 -1.3802235 17 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 -0.4827080 0.0000000 -0.5126307 -1.5472727 18 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 0.4827080 0.0000000 0.5126307 -1.5472727 19 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 -0.5622191 0.0000000 -0.6442779 -1.3478248 20 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 -0.3304879 0.0000000 -0.3997754 -1.8321981 21 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 0.3304879 0.0000000 0.3997754 -1.8321981 22 O -1.0992450 0.0000000 0.0000000 0.0000000 -1.2472029 -0.0000000 0.0000000 -0.0000000 -4.5220394 23 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 -0.3987964 0.0000000 -0.3003495 -2.0811381 24 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 -0.5622191 0.0000000 -0.6442779 -1.3478248 25 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 0.3987964 0.0000000 0.3003495 -2.0811381 26 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 -0.3304879 0.0000000 -0.3997754 -1.8321981 27 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 0.5622191 0.0000000 0.6442779 -1.3478248 28 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 0.5622191 0.0000000 0.6442779 -1.3478248 29 O -1.0992450 0.0000000 0.0000000 0.0000000 -1.2472029 -0.0000000 0.0000000 -0.0000000 -4.5220394 30 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 0.3987964 0.0000000 0.3003495 -2.0811381 31 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 0.3304879 0.0000000 0.3997754 -1.8321981 32 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 -0.3987964 0.0000000 -0.3003495 -2.0811381 33 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 -0.4827080 0.0000000 -0.5126307 -1.5472727 34 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 0.4827080 0.0000000 0.5126307 -1.5472727 35 O -2.9655808 0.4737631 0.4543884 0.4036795 -1.4268040 -0.1854769 0.3914077 -0.2750578 -1.3802235 36 O -2.9655808 0.4737631 -0.4543884 0.4036795 -1.4268040 0.1854769 -0.3914077 0.2750578 -1.3802235 37 O -2.9655808 -0.4737631 0.4543884 -0.4036795 -1.4268040 0.1854769 0.3914077 0.2750578 -1.3802235 38 O -2.9655808 -0.4737631 -0.4543884 -0.4036795 -1.4268040 -0.1854769 -0.3914077 -0.2750578 -1.3802235 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, 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[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, 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[ 31, 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[ 32, 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[ 34, 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[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000120 (xyx) 0.00000120 (xyx) 0.00000120 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:05:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:05:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.313842425000000 -4.501986275000000 0.000000000000000 b 3.313842425000000 4.501986275000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.933429340000000 Atomic positions (fractional): 1 K 0.62782582312314 0.37217417687686 0.25000000000000 39.098 2 K 0.37217417687686 0.62782582312314 0.75000000000000 39.098 3 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 4 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 5 Sb 0.26748750417960 0.73251249582040 0.36203210229644 121.760 6 Sb 0.73251249582040 0.26748750417960 0.63796789770356 121.760 7 Sb 0.26748750417960 0.73251249582040 0.13796789770356 121.760 8 Sb 0.73251249582040 0.26748750417960 0.86203210229644 121.760 9 Sb 0.88566962767101 0.11433037232899 0.07728207472103 121.760 10 Sb 0.88566962767101 0.11433037232899 0.42271792527897 121.760 11 Sb 0.11433037232899 0.88566962767101 0.57728207472103 121.760 12 Sb 0.11433037232899 0.88566962767101 0.92271792527897 121.760 13 O 0.97304785733139 0.43187529802862 0.13269513857635 15.999 14 O 0.97304785733139 0.43187529802862 0.36730486142365 15.999 15 O 0.43187529802862 0.97304785733139 0.63269513857635 15.999 16 O 0.43187529802862 0.97304785733139 0.86730486142365 15.999 17 O 0.18934074740990 0.18934074740990 0.00000000000000 15.999 18 O 0.18934074740990 0.18934074740990 0.50000000000000 15.999 19 O 0.05256434002311 0.94743565997689 0.34885971219321 15.999 20 O 0.48454317456045 0.51545682543955 0.11323093504254 15.999 21 O 0.51545682543955 0.48454317456045 0.61323093504254 15.999 22 O 0.31589932558106 0.68410067441894 0.25000000000000 15.999 23 O 0.72574041678410 0.27425958321590 0.51014683331552 15.999 24 O 0.94743565997689 0.05256434002311 0.65114028780679 15.999 25 O 0.27425958321590 0.72574041678410 0.01014683331552 15.999 26 O 0.51545682543955 0.48454317456045 0.88676906495746 15.999 27 O 0.05256434002311 0.94743565997689 0.15114028780679 15.999 28 O 0.94743565997689 0.05256434002311 0.84885971219321 15.999 29 O 0.68410067441894 0.31589932558106 0.75000000000000 15.999 30 O 0.72574041678410 0.27425958321590 0.98985316668448 15.999 31 O 0.48454317456045 0.51545682543955 0.38676906495746 15.999 32 O 0.27425958321590 0.72574041678410 0.48985316668448 15.999 33 O 0.81065925259010 0.81065925259010 0.00000000000000 15.999 34 O 0.81065925259010 0.81065925259010 0.50000000000000 15.999 35 O 0.56812470197138 0.02695214266861 0.13269513857635 15.999 36 O 0.56812470197138 0.02695214266861 0.36730486142365 15.999 37 O 0.02695214266861 0.56812470197138 0.63269513857635 15.999 38 O 0.02695214266861 0.56812470197138 0.86730486142365 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.627684850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.003972550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.933429340000000 Atomic positions (fractional): 1 K 0.50000000000000 0.87217417687686 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.12782582312314 0.75000000000000 39.098 > 2 3 K 0.00000000000000 0.37217417687686 0.25000000000000 39.098 > 1 4 K 0.00000000000000 0.62782582312314 0.75000000000000 39.098 > 2 5 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 5 6 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 6 7 Sb 0.50000000000000 0.23251249582040 0.36203210229644 121.760 > 7 8 Sb 0.50000000000000 0.76748750417960 0.63796789770356 121.760 > 8 9 Sb 0.50000000000000 0.23251249582040 0.13796789770356 121.760 > 9 10 Sb 0.50000000000000 0.76748750417960 0.86203210229644 121.760 > 10 11 Sb 0.50000000000000 0.61433037232899 0.07728207472103 121.760 > 11 12 Sb 0.50000000000000 0.61433037232899 0.42271792527897 121.760 > 12 13 Sb 0.50000000000000 0.38566962767101 0.57728207472103 121.760 > 13 14 Sb 0.50000000000000 0.38566962767101 0.92271792527897 121.760 > 14 15 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 5 16 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 6 17 Sb 0.00000000000000 0.73251249582040 0.36203210229644 121.760 > 7 18 Sb 0.00000000000000 0.26748750417960 0.63796789770356 121.760 > 8 19 Sb 0.00000000000000 0.73251249582040 0.13796789770356 121.760 > 9 20 Sb 0.00000000000000 0.26748750417960 0.86203210229644 121.760 > 10 21 Sb 0.00000000000000 0.11433037232899 0.07728207472103 121.760 > 11 22 Sb 0.00000000000000 0.11433037232899 0.42271792527897 121.760 > 12 23 Sb 0.00000000000000 0.88566962767101 0.57728207472103 121.760 > 13 24 Sb 0.00000000000000 0.88566962767101 0.92271792527897 121.760 > 14 25 O 0.70246157768000 0.72941372034861 0.13269513857635 15.999 > 25 26 O 0.70246157768000 0.72941372034861 0.36730486142365 15.999 > 26 27 O 0.70246157768000 0.27058627965139 0.63269513857635 15.999 > 27 28 O 0.70246157768000 0.27058627965139 0.86730486142365 15.999 > 28 29 O 0.18934074740990 0.00000000000000 0.00000000000000 15.999 > 29 30 O 0.18934074740990 0.00000000000000 0.50000000000000 15.999 > 30 31 O 0.50000000000000 0.44743565997689 0.34885971219321 15.999 > 31 32 O 0.50000000000000 0.01545682543955 0.11323093504254 15.999 > 32 33 O 0.50000000000000 0.98454317456045 0.61323093504254 15.999 > 33 34 O 0.50000000000000 0.18410067441894 0.25000000000000 15.999 > 34 35 O 0.50000000000000 0.77425958321590 0.51014683331552 15.999 > 35 36 O 0.50000000000000 0.55256434002311 0.65114028780679 15.999 > 36 37 O 0.50000000000000 0.22574041678410 0.01014683331552 15.999 > 37 38 O 0.50000000000000 0.98454317456045 0.88676906495746 15.999 > 38 39 O 0.50000000000000 0.44743565997689 0.15114028780679 15.999 > 39 40 O 0.50000000000000 0.55256434002311 0.84885971219321 15.999 > 40 41 O 0.50000000000000 0.81589932558106 0.75000000000000 15.999 > 41 42 O 0.50000000000000 0.77425958321590 0.98985316668448 15.999 > 42 43 O 0.50000000000000 0.01545682543955 0.38676906495746 15.999 > 43 44 O 0.50000000000000 0.22574041678410 0.48985316668448 15.999 > 44 45 O 0.81065925259010 0.00000000000000 0.00000000000000 15.999 > 45 46 O 0.81065925259010 0.00000000000000 0.50000000000000 15.999 > 46 47 O 0.29753842232000 0.72941372034861 0.13269513857635 15.999 > 47 48 O 0.29753842232000 0.72941372034861 0.36730486142365 15.999 > 48 49 O 0.29753842232000 0.27058627965139 0.63269513857635 15.999 > 49 50 O 0.29753842232000 0.27058627965139 0.86730486142365 15.999 > 50 51 O 0.20246157768000 0.22941372034861 0.13269513857635 15.999 > 25 52 O 0.20246157768000 0.22941372034861 0.36730486142365 15.999 > 26 53 O 0.20246157768000 0.77058627965139 0.63269513857635 15.999 > 27 54 O 0.20246157768000 0.77058627965139 0.86730486142365 15.999 > 28 55 O 0.68934074740990 0.50000000000000 0.00000000000000 15.999 > 29 56 O 0.68934074740990 0.50000000000000 0.50000000000000 15.999 > 30 57 O 0.00000000000000 0.94743565997689 0.34885971219321 15.999 > 31 58 O 0.00000000000000 0.51545682543955 0.11323093504254 15.999 > 32 59 O 0.00000000000000 0.48454317456045 0.61323093504254 15.999 > 33 60 O 0.00000000000000 0.68410067441894 0.25000000000000 15.999 > 34 61 O 0.00000000000000 0.27425958321590 0.51014683331552 15.999 > 35 62 O 0.00000000000000 0.05256434002311 0.65114028780679 15.999 > 36 63 O 0.00000000000000 0.72574041678410 0.01014683331552 15.999 > 37 64 O 0.00000000000000 0.48454317456045 0.88676906495746 15.999 > 38 65 O 0.00000000000000 0.94743565997689 0.15114028780679 15.999 > 39 66 O 0.00000000000000 0.05256434002311 0.84885971219321 15.999 > 40 67 O 0.00000000000000 0.31589932558106 0.75000000000000 15.999 > 41 68 O 0.00000000000000 0.27425958321590 0.98985316668448 15.999 > 42 69 O 0.00000000000000 0.51545682543955 0.38676906495746 15.999 > 43 70 O 0.00000000000000 0.72574041678410 0.48985316668448 15.999 > 44 71 O 0.31065925259010 0.50000000000000 0.00000000000000 15.999 > 45 72 O 0.31065925259010 0.50000000000000 0.50000000000000 15.999 > 46 73 O 0.79753842232000 0.22941372034861 0.13269513857635 15.999 > 47 74 O 0.79753842232000 0.22941372034861 0.36730486142365 15.999 > 48 75 O 0.79753842232000 0.77058627965139 0.63269513857635 15.999 > 49 76 O 0.79753842232000 0.77058627965139 0.86730486142365 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3366132 0.0000000 0.0000000 0.0000000 4.3313923 0.0000000 0.0000000 0.0000000 3.9989672 -------------------------- Born effective charges -------------------------- 1 K 1.0498662 0.0000000 0.0000000 0.0000000 1.2295289 -0.0000000 0.0000000 -0.0000000 1.7845266 2 K 1.0498662 0.0000000 0.0000000 0.0000000 1.2295289 -0.0000000 0.0000000 -0.0000000 1.7845266 3 Sb 5.5767346 0.0000000 0.0000000 0.0000000 5.1025751 1.0842426 0.0000000 -0.0342129 3.0184375 4 Sb 5.5767346 0.0000000 0.0000000 0.0000000 5.1025751 -1.0842426 0.0000000 0.0342129 3.0184375 5 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 -0.4147217 0.0000000 0.1593856 5.5958440 6 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 -0.4147217 0.0000000 0.1593856 5.5958440 7 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 0.4147217 0.0000000 -0.1593856 5.5958440 8 Sb 5.0708997 0.0000000 0.0000000 0.0000000 4.1534070 0.4147217 0.0000000 -0.1593856 5.5958440 9 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 -0.7682138 0.0000000 0.2670338 3.8325744 10 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 0.7682138 0.0000000 -0.2670338 3.8325744 11 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 0.7682138 0.0000000 -0.2670338 3.8325744 12 Sb 5.0119204 0.0000000 0.0000000 0.0000000 5.4275330 -0.7682138 0.0000000 0.2670338 3.8325744 13 O -2.9655808 -0.4737631 -0.4543884 -0.4036795 -1.4268040 -0.1854769 -0.3914077 -0.2750578 -1.3802235 14 O -2.9655808 -0.4737631 0.4543884 -0.4036795 -1.4268040 0.1854769 0.3914077 0.2750578 -1.3802235 15 O -2.9655808 0.4737631 -0.4543884 0.4036795 -1.4268040 0.1854769 -0.3914077 0.2750578 -1.3802235 16 O -2.9655808 0.4737631 0.4543884 0.4036795 -1.4268040 -0.1854769 0.3914077 -0.2750578 -1.3802235 17 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 -0.4827080 0.0000000 -0.5126307 -1.5472727 18 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 0.4827080 0.0000000 0.5126307 -1.5472727 19 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 -0.5622191 0.0000000 -0.6442779 -1.3478248 20 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 -0.3304879 0.0000000 -0.3997754 -1.8321981 21 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 0.3304879 0.0000000 0.3997754 -1.8321981 22 O -1.0992450 0.0000000 0.0000000 0.0000000 -1.2472029 -0.0000000 0.0000000 -0.0000000 -4.5220394 23 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 -0.3987964 0.0000000 -0.3003495 -2.0811381 24 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 -0.5622191 0.0000000 -0.6442779 -1.3478248 25 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 0.3987964 0.0000000 0.3003495 -2.0811381 26 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 -0.3304879 0.0000000 -0.3997754 -1.8321981 27 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 0.5622191 0.0000000 0.6442779 -1.3478248 28 O -1.2374004 0.0000000 0.0000000 0.0000000 -2.9934809 0.5622191 0.0000000 0.6442779 -1.3478248 29 O -1.0992450 0.0000000 0.0000000 0.0000000 -1.2472029 -0.0000000 0.0000000 -0.0000000 -4.5220394 30 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 0.3987964 0.0000000 0.3003495 -2.0811381 31 O -1.3468955 0.0000000 0.0000000 0.0000000 -1.8531764 0.3304879 0.0000000 0.3997754 -1.8321981 32 O -1.2869487 0.0000000 0.0000000 0.0000000 -2.6358855 -0.3987964 0.0000000 -0.3003495 -2.0811381 33 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 -0.4827080 0.0000000 -0.5126307 -1.5472727 34 O -3.0440917 0.0000000 0.0000000 0.0000000 -1.7872398 0.4827080 0.0000000 0.5126307 -1.5472727 35 O -2.9655808 0.4737631 0.4543884 0.4036795 -1.4268040 -0.1854769 0.3914077 -0.2750578 -1.3802235 36 O -2.9655808 0.4737631 -0.4543884 0.4036795 -1.4268040 0.1854769 -0.3914077 0.2750578 -1.3802235 37 O -2.9655808 -0.4737631 0.4543884 -0.4036795 -1.4268040 0.1854769 0.3914077 0.2750578 -1.3802235 38 O -2.9655808 -0.4737631 -0.4543884 -0.4036795 -1.4268040 -0.1854769 -0.3914077 -0.2750578 -1.3802235 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000120 (xyx) 0.00000120 (xyx) 0.00000120 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 9 9 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 295, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 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 1.229 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.095 ( 0.000 0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.592 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.692 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.919 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.670 ( 0.000 0.000 0.000) 0.000 8.946 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.817 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.174 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.411 ( 0.000 0.000 0.000) 0.000 12.700 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 12.993 ( 0.000 0.000 0.000) 0.000 13.072 ( 0.000 0.000 0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 13.260 ( 0.000 0.000 0.000) 0.000 13.300 ( 0.000 0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 14.109 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.844 ( 0.000 0.000 0.000) 0.000 14.890 ( 0.000 0.000 0.000) 0.000 15.329 ( 0.000 0.000 0.000) 0.000 15.428 ( 0.000 0.000 0.000) 0.000 15.436 ( 0.000 0.000 0.000) 0.000 15.620 ( 0.000 0.000 0.000) 0.000 15.874 ( 0.000 0.000 0.000) 0.000 15.876 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 16.410 ( 0.000 0.000 0.000) 0.000 17.041 ( 0.000 0.000 0.000) 0.000 17.305 ( 0.000 0.000 0.000) 0.000 18.302 ( 0.000 0.000 0.000) 0.000 18.313 ( 0.000 0.000 0.000) 0.000 19.496 ( 0.000 0.000 0.000) 0.000 19.662 ( 0.000 0.000 0.000) 0.000 19.681 ( 0.000 0.000 0.000) 0.000 20.496 ( 0.000 0.000 0.000) 0.000 20.632 ( 0.000 0.000 0.000) 0.000 20.902 ( 0.000 0.000 0.000) 0.000 21.020 ( 0.000 0.000 0.000) 0.000 21.062 ( 0.000 0.000 0.000) 0.000 21.348 ( 0.000 0.000 0.000) 0.000 21.389 ( 0.000 0.000 0.000) 0.000 21.393 ( 0.000 0.000 0.000) 0.000 21.430 ( 0.000 0.000 0.000) 0.000 21.469 ( 0.000 0.000 0.000) 0.000 21.835 ( 0.000 0.000 0.000) 0.000 21.843 ( 0.000 0.000 0.000) 0.000 21.982 ( 0.000 0.000 0.000) 0.000 23.246 ( 0.000 0.000 0.000) 0.000 24.232 ( 0.000 0.000 0.000) 0.000 24.574 ( 0.000 0.000 0.000) 0.000 24.770 ( 0.000 0.000 0.000) 0.000 25.570 ( 0.000 0.000 0.000) 0.000 25.700 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 26.184 -16.581 0.000) 30.992 0.890 ( 15.416 -51.431 0.000) 53.692 1.394 ( 74.157 -7.614 0.000) 74.547 1.664 ( 10.496 -20.995 0.000) 23.473 1.837 ( 17.100 -3.117 0.000) 17.382 1.850 ( 54.769 -6.559 0.000) 55.160 2.277 ( 8.516 1.783 0.000) 8.701 2.383 ( 5.609 5.412 0.000) 7.795 2.441 ( 9.062 5.884 0.000) 10.804 2.512 ( 23.864 -11.211 0.000) 26.366 2.803 ( 23.021 2.346 0.000) 23.140 3.349 ( 3.295 10.343 0.000) 10.856 3.416 ( 3.876 -29.178 0.000) 29.434 3.717 ( 2.615 11.167 0.000) 11.469 3.719 ( 13.692 -1.370 0.000) 13.760 3.752 ( 2.697 -14.398 0.000) 14.648 3.831 ( 6.932 -3.586 0.000) 7.805 4.306 ( -0.726 6.827 0.000) 6.866 4.369 ( 5.042 -6.944 0.000) 8.581 4.422 ( -2.031 4.511 0.000) 4.947 4.612 ( -0.081 -13.275 0.000) 13.276 4.622 ( -3.034 -0.753 0.000) 3.127 4.762 ( 7.641 -0.891 0.000) 7.693 4.980 ( 6.574 -1.467 0.000) 6.735 5.323 ( 0.059 3.938 0.000) 3.938 5.600 ( 8.403 -0.135 0.000) 8.404 5.630 ( 3.245 -5.025 0.000) 5.982 5.655 ( -5.605 6.810 0.000) 8.820 5.673 ( -7.410 4.753 0.000) 8.803 5.796 ( 5.373 9.491 0.000) 10.907 6.026 ( 3.268 -2.637 0.000) 4.199 6.049 ( -0.327 -2.914 0.000) 2.932 6.051 ( -2.465 5.663 0.000) 6.176 6.286 ( 7.528 1.518 0.000) 7.679 6.340 ( 0.020 -5.954 0.000) 5.954 6.454 ( 0.983 -5.501 0.000) 5.588 6.664 ( 3.824 1.524 0.000) 4.117 6.783 ( 1.681 -1.375 0.000) 2.172 6.853 ( 10.691 3.102 0.000) 11.132 7.014 ( -4.074 7.835 0.000) 8.831 7.024 ( -10.564 3.062 0.000) 10.999 7.169 ( -16.179 -0.820 0.000) 16.200 7.241 ( 4.140 -4.478 0.000) 6.098 7.301 ( -0.231 5.945 0.000) 5.950 7.506 ( 11.866 4.984 0.000) 12.870 7.527 ( -1.260 5.409 0.000) 5.554 7.605 ( 1.473 -2.261 0.000) 2.698 7.704 ( 4.761 3.205 0.000) 5.740 7.757 ( 1.058 5.518 0.000) 5.619 7.867 ( 9.365 15.172 0.000) 17.830 8.106 ( 16.494 12.287 0.000) 20.568 8.235 ( 5.920 11.273 0.000) 12.733 8.567 ( -0.407 1.070 0.000) 1.145 8.630 ( -0.951 4.304 0.000) 4.407 8.725 ( 7.529 -29.188 0.000) 30.143 8.892 ( -5.862 -0.168 0.000) 5.864 9.077 ( -2.584 0.341 0.000) 2.607 9.250 ( -13.946 -17.413 0.000) 22.309 9.751 ( -5.899 1.539 0.000) 6.097 9.861 ( -0.713 -0.144 0.000) 0.727 10.102 ( 1.532 7.253 0.000) 7.413 10.600 ( 1.947 9.626 0.000) 9.821 10.705 ( -2.544 -1.247 0.000) 2.833 10.772 ( -0.275 -1.254 0.000) 1.284 12.313 ( -2.688 0.255 0.000) 2.700 12.383 ( -8.144 -4.550 0.000) 9.328 12.583 ( -16.559 -2.019 0.000) 16.682 12.651 ( -15.445 -1.476 0.000) 15.515 12.667 ( -12.257 -4.934 0.000) 13.213 12.945 ( -10.184 1.780 0.000) 10.338 13.013 ( -1.078 0.692 0.000) 1.281 13.087 ( -2.930 -0.737 0.000) 3.021 13.194 ( 14.133 -0.976 0.000) 14.167 13.375 ( 8.705 -2.217 0.000) 8.983 13.443 ( 10.235 -0.801 0.000) 10.266 13.890 ( 1.004 -5.648 0.000) 5.737 14.051 ( -0.111 6.047 0.000) 6.048 14.171 ( 3.635 3.053 0.000) 4.747 14.865 ( -2.464 -2.834 0.000) 3.755 14.920 ( -6.620 -2.846 0.000) 7.206 15.313 ( -3.400 -4.658 0.000) 5.767 15.456 ( 1.589 -0.014 0.000) 1.589 15.463 ( 3.737 2.217 0.000) 4.346 15.636 ( -9.625 -5.637 0.000) 11.154 15.822 ( -5.067 -3.030 0.000) 5.903 16.290 ( -12.220 -3.862 0.000) 12.816 16.569 ( 12.689 -6.028 0.000) 14.048 16.947 ( 11.700 -2.567 0.000) 11.978 17.039 ( 0.700 1.020 0.000) 1.237 17.262 ( -1.935 3.147 0.000) 3.695 18.340 ( 2.792 -2.138 0.000) 3.516 18.350 ( 2.756 -1.930 0.000) 3.365 19.385 ( -0.068 11.821 0.000) 11.821 19.729 ( 6.315 4.534 0.000) 7.774 19.808 ( 6.350 -8.564 0.000) 10.661 20.226 ( -20.210 8.196 0.000) 21.809 20.658 ( -1.547 -6.023 0.000) 6.219 20.719 ( -13.880 -12.431 0.000) 18.633 20.945 ( -8.730 -1.837 0.000) 8.921 21.109 ( -7.267 -6.668 0.000) 9.863 21.233 ( -11.922 0.533 0.000) 11.934 21.402 ( -0.377 -0.060 0.000) 0.382 21.624 ( 8.660 0.974 0.000) 8.714 21.637 ( 9.621 2.507 0.000) 9.942 21.797 ( -1.885 1.937 0.000) 2.703 21.823 ( -1.369 -0.918 0.000) 1.648 22.266 ( 33.848 -2.758 0.000) 33.960 23.332 ( 10.004 0.485 0.000) 10.016 23.973 ( 7.079 19.253 0.000) 20.513 24.273 ( 6.336 2.907 0.000) 6.971 24.590 ( 3.412 3.657 0.000) 5.002 24.734 ( -5.119 0.497 0.000) 5.143 25.540 ( -3.070 0.572 0.000) 3.123 25.650 ( -4.452 1.410 0.000) 4.670 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 25.829 -19.406 0.000) 32.307 1.761 ( 14.311 -46.182 0.000) 48.348 2.112 ( 17.388 2.845 0.000) 17.619 2.177 ( 13.425 -25.716 0.000) 29.009 2.276 ( 9.122 10.388 0.000) 13.825 2.343 ( 14.025 0.900 0.000) 14.054 2.757 ( 42.910 -7.741 0.000) 43.603 2.830 ( 33.556 -8.001 0.000) 34.497 2.911 ( 55.667 -6.406 0.000) 56.034 3.143 ( 29.362 -13.679 0.000) 32.392 3.237 ( 22.078 -5.582 0.000) 22.773 3.300 ( 6.149 9.847 0.000) 11.609 3.620 ( 9.218 15.275 0.000) 17.841 3.871 ( 10.169 -21.742 0.000) 24.003 3.930 ( 2.596 -8.381 0.000) 8.773 4.067 ( 11.218 -10.046 0.000) 15.059 4.082 ( 21.008 -6.226 0.000) 21.911 4.231 ( -1.027 1.564 0.000) 1.871 4.291 ( -4.518 9.182 0.000) 10.234 4.552 ( 3.811 -10.668 0.000) 11.328 4.683 ( 3.892 -8.945 0.000) 9.755 4.772 ( 0.610 -10.236 0.000) 10.254 4.910 ( 8.018 0.342 0.000) 8.025 5.123 ( 6.955 -0.748 0.000) 6.995 5.307 ( 3.206 1.255 0.000) 3.443 5.390 ( -6.750 11.900 0.000) 13.681 5.534 ( -6.167 1.711 0.000) 6.400 5.687 ( 0.599 -5.033 0.000) 5.069 5.782 ( 8.973 3.507 0.000) 9.634 5.799 ( 3.367 3.688 0.000) 4.994 5.943 ( -0.683 5.843 0.000) 5.883 6.042 ( 0.107 -0.048 0.000) 0.118 6.132 ( 2.699 -3.843 0.000) 4.696 6.401 ( 0.817 -2.200 0.000) 2.347 6.402 ( 6.841 1.207 0.000) 6.947 6.453 ( -4.748 3.942 0.000) 6.171 6.687 ( 1.726 4.810 0.000) 5.110 6.786 ( -10.822 2.823 0.000) 11.184 6.833 ( 2.575 -2.111 0.000) 3.330 6.919 ( -2.844 -5.576 0.000) 6.259 6.970 ( 6.054 5.606 0.000) 8.251 7.046 ( -0.473 -0.090 0.000) 0.481 7.201 ( -0.867 8.122 0.000) 8.168 7.383 ( 3.477 -5.185 0.000) 6.243 7.494 ( 5.045 2.152 0.000) 5.485 7.560 ( 1.160 3.728 0.000) 3.904 7.660 ( 3.230 -1.418 0.000) 3.527 7.662 ( -1.538 7.696 0.000) 7.848 7.724 ( -2.469 5.843 0.000) 6.343 7.846 ( 3.879 0.248 0.000) 3.887 8.154 ( 8.256 11.203 0.000) 13.916 8.195 ( 5.003 9.679 0.000) 10.895 8.540 ( -0.414 1.440 0.000) 1.498 8.556 ( -0.569 4.418 0.000) 4.454 8.748 ( -9.443 -0.038 0.000) 9.443 9.014 ( -3.318 1.282 0.000) 3.557 9.163 ( 0.240 -15.688 0.000) 15.690 9.239 ( -4.326 -5.969 0.000) 7.372 9.677 ( 1.018 -4.865 0.000) 4.970 9.822 ( -2.770 2.369 0.000) 3.645 10.014 ( -1.630 6.119 0.000) 6.332 10.523 ( -2.544 0.878 0.000) 2.691 10.659 ( -5.133 -1.523 0.000) 5.354 10.769 ( -2.156 -1.470 0.000) 2.609 12.194 ( -17.235 -1.364 0.000) 17.289 12.234 ( -9.388 -2.773 0.000) 9.789 12.282 ( -19.836 -1.149 0.000) 19.869 12.457 ( -18.102 -3.000 0.000) 18.349 12.498 ( -6.900 -2.524 0.000) 7.348 12.762 ( -6.666 2.096 0.000) 6.988 12.958 ( -1.057 1.140 0.000) 1.555 13.127 ( 0.499 -4.542 0.000) 4.569 13.423 ( 11.106 -1.718 0.000) 11.238 13.561 ( 7.709 -4.806 0.000) 9.085 13.622 ( 8.059 -3.105 0.000) 8.636 13.987 ( 3.766 -2.646 0.000) 4.603 14.007 ( 2.470 4.368 0.000) 5.018 14.192 ( 4.499 5.152 0.000) 6.840 14.803 ( -3.709 2.884 0.000) 4.698 14.824 ( -4.205 2.738 0.000) 5.018 15.311 ( -6.714 -6.828 0.000) 9.575 15.439 ( -5.248 -0.640 0.000) 5.287 15.461 ( 1.241 4.878 0.000) 5.033 15.553 ( -1.997 1.948 0.000) 2.789 15.865 ( 0.562 -10.303 0.000) 10.319 16.191 ( -9.646 -11.391 0.000) 14.926 16.831 ( 8.240 -2.159 0.000) 8.518 17.070 ( 4.504 -2.328 0.000) 5.070 17.088 ( 1.539 4.498 0.000) 4.754 17.267 ( 5.811 -4.948 0.000) 7.632 18.439 ( 4.440 -3.764 0.000) 5.821 18.445 ( 4.452 -3.551 0.000) 5.695 19.236 ( -0.659 11.435 0.000) 11.454 19.563 ( -11.155 12.452 0.000) 16.717 20.034 ( 9.573 -5.672 0.000) 11.127 20.095 ( 5.896 -4.400 0.000) 7.357 20.704 ( -5.217 -8.439 0.000) 9.921 20.712 ( -4.274 -8.563 0.000) 9.571 20.833 ( -6.835 -3.780 0.000) 7.811 21.044 ( -5.502 -0.859 0.000) 5.569 21.063 ( -6.833 0.558 0.000) 6.855 21.346 ( -5.159 1.772 0.000) 5.455 21.686 ( 1.158 1.204 0.000) 1.671 21.720 ( 4.387 0.349 0.000) 4.401 21.723 ( -4.588 1.188 0.000) 4.739 21.834 ( 0.253 -2.101 0.000) 2.116 22.834 ( 26.885 -1.757 0.000) 26.942 23.535 ( 14.154 0.995 0.000) 14.188 23.835 ( -4.384 5.628 0.000) 7.134 24.347 ( 7.378 4.618 0.000) 8.704 24.546 ( -5.113 -0.160 0.000) 5.115 24.690 ( 3.904 4.982 0.000) 6.329 25.458 ( -5.307 0.898 0.000) 5.382 25.543 ( -5.661 1.007 0.000) 5.750 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 23.591 -21.679 0.000) 32.039 2.192 ( 9.137 -1.465 0.000) 9.254 2.415 ( 9.820 -0.186 0.000) 9.821 2.492 ( 8.506 1.462 0.000) 8.631 2.615 ( 15.537 -30.171 0.000) 33.936 2.673 ( 11.518 -18.639 0.000) 21.910 2.955 ( 2.501 4.157 0.000) 4.851 3.226 ( 3.577 11.992 0.000) 12.514 3.579 ( 14.695 -4.060 0.000) 15.245 3.647 ( 17.030 -10.414 0.000) 19.962 3.742 ( 16.737 -5.264 0.000) 17.545 3.771 ( 14.201 6.497 0.000) 15.617 3.820 ( 32.935 -2.343 0.000) 33.018 4.012 ( 10.470 -3.138 0.000) 10.931 4.180 ( 2.603 1.959 0.000) 3.258 4.218 ( 14.029 -10.710 0.000) 17.650 4.221 ( 11.011 -4.139 0.000) 11.763 4.544 ( 21.246 -5.988 0.000) 22.073 4.556 ( 20.028 -14.081 0.000) 24.482 4.776 ( 4.797 -11.319 0.000) 12.293 4.803 ( -1.604 6.744 0.000) 6.932 4.854 ( 1.400 -8.497 0.000) 8.611 5.039 ( 9.541 -2.035 0.000) 9.755 5.166 ( -1.508 -2.424 0.000) 2.855 5.241 ( 2.464 5.868 0.000) 6.364 5.407 ( 6.797 -2.257 0.000) 7.162 5.471 ( -0.510 -0.449 0.000) 0.680 5.724 ( 0.102 4.317 0.000) 4.318 5.797 ( 1.147 0.027 0.000) 1.147 5.826 ( 2.527 -1.436 0.000) 2.907 5.952 ( 6.214 3.017 0.000) 6.908 6.054 ( 2.470 2.570 0.000) 3.565 6.177 ( -5.934 -2.327 0.000) 6.374 6.257 ( -3.769 5.901 0.000) 7.001 6.387 ( -0.904 5.718 0.000) 5.789 6.471 ( 2.770 3.135 0.000) 4.184 6.608 ( -1.870 5.557 0.000) 5.863 6.631 ( -4.236 1.121 0.000) 4.382 6.883 ( 2.390 1.293 0.000) 2.717 6.927 ( -2.227 4.366 0.000) 4.901 7.037 ( 4.379 -7.483 0.000) 8.670 7.054 ( -2.941 -1.140 0.000) 3.155 7.095 ( -1.392 4.273 0.000) 4.494 7.438 ( -0.682 9.738 0.000) 9.762 7.440 ( -12.582 1.991 0.000) 12.738 7.525 ( 5.039 -5.804 0.000) 7.686 7.545 ( -4.064 7.388 0.000) 8.432 7.700 ( 7.011 -3.286 0.000) 7.743 7.747 ( 2.309 -4.402 0.000) 4.971 7.931 ( 3.308 -1.064 0.000) 3.475 8.118 ( 1.694 8.355 0.000) 8.525 8.163 ( 4.577 8.062 0.000) 9.271 8.515 ( 0.527 2.661 0.000) 2.712 8.521 ( 0.644 2.218 0.000) 2.310 8.611 ( -5.798 -0.397 0.000) 5.812 8.948 ( -1.917 1.814 0.000) 2.640 9.090 ( -13.330 -1.213 0.000) 13.385 9.253 ( -0.918 -3.180 0.000) 3.310 9.709 ( -4.240 5.226 0.000) 6.730 9.920 ( -1.886 3.663 0.000) 4.120 9.926 ( 11.088 -9.786 0.000) 14.789 10.503 ( -1.487 -2.735 0.000) 3.113 10.567 ( -7.476 -0.598 0.000) 7.500 10.740 ( -2.696 -0.758 0.000) 2.801 11.921 ( -14.799 -0.103 0.000) 14.799 11.989 ( -15.263 -0.502 0.000) 15.271 12.063 ( -13.418 -2.269 0.000) 13.609 12.182 ( -16.102 -1.080 0.000) 16.138 12.440 ( -1.829 0.208 0.000) 1.840 12.695 ( -1.825 -1.319 0.000) 2.252 12.951 ( 0.303 -0.265 0.000) 0.402 13.186 ( -0.183 -4.212 0.000) 4.216 13.605 ( 7.589 -2.031 0.000) 7.856 13.736 ( 5.354 -5.405 0.000) 7.608 13.788 ( 6.237 -4.280 0.000) 7.564 14.004 ( 2.061 3.406 0.000) 3.981 14.067 ( 2.744 -1.043 0.000) 2.935 14.179 ( 1.896 6.021 0.000) 6.312 14.707 ( -2.244 3.663 0.000) 4.296 14.736 ( -1.675 2.864 0.000) 3.318 15.255 ( -6.639 -3.394 0.000) 7.456 15.337 ( -6.555 -0.807 0.000) 6.604 15.412 ( -0.448 3.190 0.000) 3.222 15.498 ( -0.943 3.258 0.000) 3.392 16.042 ( 2.746 -11.533 0.000) 11.855 16.242 ( -3.381 -12.847 0.000) 13.285 16.863 ( 0.711 4.721 0.000) 4.774 17.001 ( -1.343 6.598 0.000) 6.734 17.247 ( 6.869 -5.981 0.000) 9.108 17.453 ( 5.932 -5.504 0.000) 8.092 18.574 ( 4.958 -5.108 0.000) 7.118 18.583 ( 5.661 -5.014 0.000) 7.563 19.079 ( -2.282 9.981 0.000) 10.238 19.241 ( -10.388 9.163 0.000) 13.851 20.252 ( 9.000 -3.778 0.000) 9.761 20.284 ( 8.917 -1.695 0.000) 9.077 20.667 ( -6.577 -4.115 0.000) 7.758 20.780 ( 0.433 -7.963 0.000) 7.975 20.826 ( -2.005 -4.389 0.000) 4.825 20.961 ( -3.643 1.143 0.000) 3.818 21.004 ( -0.775 -0.852 0.000) 1.152 21.204 ( -8.140 1.895 0.000) 8.358 21.585 ( -8.153 1.773 0.000) 8.344 21.701 ( 0.863 0.687 0.000) 1.103 21.780 ( 2.296 -1.162 0.000) 2.573 21.863 ( 0.492 -0.949 0.000) 1.069 23.185 ( 14.429 0.308 0.000) 14.433 23.706 ( -5.412 1.415 0.000) 5.594 23.747 ( 11.792 1.120 0.000) 11.845 24.397 ( 4.989 4.123 0.000) 6.473 24.489 ( -2.861 -2.092 0.000) 3.544 24.696 ( 3.546 4.719 0.000) 5.903 25.356 ( -5.240 0.471 0.000) 5.261 25.450 ( -4.243 0.323 0.000) 4.255 ======================= Grid point 4 (5/50) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 7.165 -5.675 0.000) 9.140 2.532 ( 3.372 -0.128 0.000) 3.375 2.580 ( 3.992 0.477 0.000) 4.021 2.588 ( 17.760 -21.931 0.000) 28.220 2.709 ( -4.068 10.603 0.000) 11.357 2.979 ( 3.094 -2.847 0.000) 4.205 3.071 ( -1.118 11.882 0.000) 11.935 3.323 ( 11.464 -26.964 0.000) 29.300 3.509 ( -10.837 7.882 0.000) 13.400 3.732 ( -4.005 8.974 0.000) 9.827 3.887 ( 8.241 -1.241 0.000) 8.334 3.906 ( 4.687 -2.245 0.000) 5.198 4.068 ( 1.630 -1.059 0.000) 1.943 4.255 ( 2.065 -2.306 0.000) 3.095 4.345 ( 9.951 -7.227 0.000) 12.298 4.542 ( 12.401 -0.941 0.000) 12.437 4.643 ( 4.242 2.097 0.000) 4.732 4.699 ( 9.913 -0.312 0.000) 9.918 4.760 ( 0.782 -2.692 0.000) 2.804 4.848 ( -5.111 -0.656 0.000) 5.153 4.920 ( 11.046 -0.374 0.000) 11.052 5.036 ( 8.906 -2.950 0.000) 9.382 5.204 ( -0.417 -3.632 0.000) 3.656 5.301 ( 6.711 -2.323 0.000) 7.102 5.323 ( 10.219 -10.325 0.000) 14.527 5.445 ( -3.042 1.597 0.000) 3.436 5.523 ( -1.150 0.785 0.000) 1.392 5.638 ( 3.729 5.800 0.000) 6.895 5.895 ( 4.354 -7.431 0.000) 8.613 5.927 ( 3.147 -2.334 0.000) 3.918 6.009 ( 4.687 2.584 0.000) 5.352 6.021 ( -2.105 -0.313 0.000) 2.128 6.085 ( 0.070 -0.065 0.000) 0.095 6.230 ( 3.517 2.743 0.000) 4.460 6.246 ( -3.388 10.310 0.000) 10.852 6.385 ( -6.911 4.813 0.000) 8.422 6.526 ( -1.868 2.075 0.000) 2.792 6.580 ( -1.147 0.903 0.000) 1.460 6.820 ( -5.672 -0.342 0.000) 5.682 6.905 ( 5.178 4.161 0.000) 6.643 6.960 ( -3.704 2.428 0.000) 4.428 7.008 ( -5.758 -0.468 0.000) 5.776 7.214 ( -7.462 -1.719 0.000) 7.658 7.226 ( 3.603 -7.028 0.000) 7.897 7.378 ( 1.481 1.854 0.000) 2.373 7.399 ( -3.058 7.838 0.000) 8.414 7.673 ( 2.946 -4.592 0.000) 5.456 7.822 ( 4.028 -0.018 0.000) 4.028 7.836 ( 0.995 -4.729 0.000) 4.832 7.946 ( 0.333 3.035 0.000) 3.054 8.019 ( -3.201 3.141 0.000) 4.485 8.168 ( 2.242 1.249 0.000) 2.566 8.495 ( 0.273 1.659 0.000) 1.681 8.509 ( 1.513 2.306 0.000) 2.758 8.583 ( 0.546 -0.632 0.000) 0.835 8.898 ( -8.175 -0.238 0.000) 8.179 8.913 ( -0.307 0.760 0.000) 0.819 9.275 ( -0.217 -1.455 0.000) 1.472 9.597 ( -1.863 2.973 0.000) 3.509 9.867 ( -0.841 1.059 0.000) 1.353 10.201 ( 10.296 -5.092 0.000) 11.487 10.421 ( -9.104 1.518 0.000) 9.230 10.523 ( -0.091 -1.681 0.000) 1.683 10.707 ( -1.441 -0.019 0.000) 1.442 11.741 ( -5.799 0.099 0.000) 5.799 11.812 ( -5.718 -0.097 0.000) 5.719 11.904 ( -5.986 -0.517 0.000) 6.008 11.990 ( -6.574 -0.184 0.000) 6.576 12.424 ( -0.200 0.127 0.000) 0.237 12.696 ( -0.368 -0.991 0.000) 1.057 12.961 ( 0.244 -0.314 0.000) 0.398 13.220 ( -0.206 -1.711 0.000) 1.723 13.714 ( 2.842 -0.927 0.000) 2.989 13.870 ( 3.054 -4.721 0.000) 5.623 13.926 ( 3.572 -3.557 0.000) 5.041 13.972 ( -0.582 3.852 0.000) 3.895 14.104 ( 0.516 -0.670 0.000) 0.846 14.115 ( -0.538 4.828 0.000) 4.858 14.649 ( -0.651 1.516 0.000) 1.650 14.699 ( -0.129 1.032 0.000) 1.040 15.200 ( -2.583 -0.960 0.000) 2.756 15.264 ( -2.622 -0.297 0.000) 2.638 15.377 ( -0.425 1.015 0.000) 1.100 15.454 ( -0.630 1.176 0.000) 1.335 16.194 ( 1.434 -5.531 0.000) 5.714 16.342 ( -0.346 -6.109 0.000) 6.119 16.807 ( -0.284 3.092 0.000) 3.105 16.913 ( -0.769 3.604 0.000) 3.685 17.383 ( 2.511 -2.400 0.000) 3.473 17.570 ( 2.150 -2.050 0.000) 2.971 18.724 ( 4.232 -5.825 0.000) 7.200 18.756 ( 6.468 -5.968 0.000) 8.801 18.919 ( -3.307 7.517 0.000) 8.212 18.987 ( -7.853 7.150 0.000) 10.620 20.393 ( 2.848 -0.059 0.000) 2.849 20.407 ( 4.189 -2.126 0.000) 4.698 20.619 ( -2.682 -0.986 0.000) 2.857 20.851 ( 1.165 -0.708 0.000) 1.363 20.880 ( -1.509 -3.582 0.000) 3.887 20.934 ( 3.716 -0.236 0.000) 3.723 21.022 ( 1.314 0.237 0.000) 1.335 21.060 ( -6.591 -0.589 0.000) 6.617 21.428 ( -5.834 1.958 0.000) 6.154 21.706 ( 0.275 0.105 0.000) 0.295 21.822 ( 0.927 -0.942 0.000) 1.322 21.871 ( -0.010 0.085 0.000) 0.085 23.336 ( 4.603 0.370 0.000) 4.618 23.628 ( -2.569 0.096 0.000) 2.571 23.879 ( 4.611 0.510 0.000) 4.639 24.416 ( 1.678 1.633 0.000) 2.342 24.488 ( -0.375 -1.219 0.000) 1.276 24.692 ( 1.165 2.002 0.000) 2.316 25.288 ( -2.192 0.049 0.000) 2.193 25.398 ( -1.595 0.067 0.000) 1.597 ======================= Grid point 10 (6/50) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 30.134 0.000 0.000) 30.134 1.026 ( 29.333 0.000 0.000) 29.333 1.794 ( 20.590 0.000 0.000) 20.590 2.123 ( 17.876 0.000 0.000) 17.876 2.352 ( 18.146 0.000 0.000) 18.146 2.545 ( 5.022 0.000 0.000) 5.022 2.692 ( 60.661 0.000 0.000) 60.661 2.723 ( 21.325 0.000 0.000) 21.325 2.848 ( 62.415 0.000 0.000) 62.415 2.947 ( 32.756 0.000 0.000) 32.756 3.254 ( 8.490 0.000 0.000) 8.490 3.381 ( 32.600 0.000 0.000) 32.600 3.526 ( 6.517 0.000 0.000) 6.517 3.715 ( 6.474 0.000 0.000) 6.474 3.890 ( 9.623 0.000 0.000) 9.623 3.915 ( 6.676 0.000 0.000) 6.676 4.024 ( 21.281 0.000 0.000) 21.281 4.377 ( -0.453 -0.000 0.000) 0.453 4.410 ( 2.296 0.000 0.000) 2.296 4.456 ( -1.889 -0.000 0.000) 1.889 4.474 ( 5.966 0.000 0.000) 5.966 4.545 ( -3.846 -0.000 0.000) 3.846 4.916 ( 9.952 0.000 0.000) 9.952 5.115 ( 9.396 0.000 0.000) 9.396 5.364 ( 1.475 0.000 0.000) 1.475 5.547 ( -7.929 -0.000 0.000) 7.929 5.575 ( 0.496 0.000 0.000) 0.496 5.578 ( -6.751 -0.000 0.000) 6.751 5.854 ( 12.923 0.000 0.000) 12.923 5.919 ( -3.018 -0.000 0.000) 3.018 5.985 ( 2.218 0.000 0.000) 2.218 6.031 ( -2.946 -0.000 0.000) 2.946 6.068 ( 2.188 0.000 0.000) 2.188 6.332 ( 3.133 0.000 0.000) 3.133 6.429 ( 0.587 0.000 0.000) 0.587 6.501 ( 11.679 0.000 0.000) 11.679 6.743 ( 4.276 0.000 0.000) 4.276 6.805 ( -20.041 -0.000 0.000) 20.041 6.815 ( -11.427 -0.000 0.000) 11.427 6.817 ( 3.183 0.000 0.000) 3.183 7.046 ( -0.473 -0.000 0.000) 0.473 7.052 ( 6.263 0.000 0.000) 6.263 7.301 ( -2.588 -0.000 0.000) 2.588 7.312 ( 6.587 0.000 0.000) 6.587 7.525 ( 1.381 0.000 0.000) 1.381 7.594 ( -0.069 -0.000 0.000) 0.069 7.632 ( 2.154 0.000 0.000) 2.154 7.792 ( -6.271 -0.000 0.000) 6.271 7.801 ( -1.015 -0.000 0.000) 1.015 7.926 ( 3.889 0.000 0.000) 3.889 8.419 ( -3.573 -0.000 0.000) 3.573 8.445 ( -2.732 -0.000 0.000) 2.732 8.554 ( -2.243 -0.000 0.000) 2.243 8.634 ( -1.749 -0.000 0.000) 1.749 8.736 ( 24.297 0.000 0.000) 24.297 8.771 ( -6.615 -0.000 0.000) 6.615 9.038 ( 2.370 0.000 0.000) 2.370 9.062 ( -0.169 -0.000 0.000) 0.169 9.637 ( -6.295 -0.000 0.000) 6.295 9.847 ( -1.121 -0.000 0.000) 1.121 10.076 ( -5.785 -0.000 0.000) 5.785 10.621 ( -7.135 -0.000 0.000) 7.135 10.639 ( -4.462 -0.000 0.000) 4.462 10.724 ( -1.737 -0.000 0.000) 1.737 12.179 ( -14.294 -0.000 0.000) 14.294 12.182 ( -11.898 -0.000 0.000) 11.898 12.273 ( -18.868 -0.000 0.000) 18.868 12.391 ( -15.927 -0.000 0.000) 15.927 12.464 ( -4.379 -0.000 0.000) 4.379 12.795 ( -8.794 -0.000 0.000) 8.794 13.012 ( -2.101 -0.000 0.000) 2.101 13.029 ( -0.067 -0.000 0.000) 0.067 13.397 ( 10.673 0.000 0.000) 10.673 13.495 ( 7.433 0.000 0.000) 7.433 13.583 ( 7.382 0.000 0.000) 7.382 13.924 ( 5.429 0.000 0.000) 5.429 14.079 ( -0.116 -0.000 0.000) 0.116 14.264 ( 4.615 0.000 0.000) 4.615 14.814 ( -2.003 -0.000 0.000) 2.003 14.834 ( -2.929 -0.000 0.000) 2.929 15.227 ( -3.611 -0.000 0.000) 3.611 15.412 ( -5.209 -0.000 0.000) 5.209 15.577 ( 6.764 0.000 0.000) 6.764 15.620 ( 4.961 0.000 0.000) 4.961 15.689 ( -6.404 -0.000 0.000) 6.404 16.016 ( -14.820 -0.000 0.000) 14.820 16.780 ( 14.801 0.000 0.000) 14.801 17.060 ( 1.134 0.000 0.000) 1.134 17.113 ( 10.694 0.000 0.000) 10.694 17.241 ( -2.379 -0.000 0.000) 2.379 18.393 ( 4.825 0.000 0.000) 4.825 18.407 ( 4.953 0.000 0.000) 4.953 19.419 ( -4.471 -0.000 0.000) 4.471 19.810 ( -24.502 -0.000 0.000) 24.502 19.929 ( 13.375 0.000 0.000) 13.375 19.963 ( 14.644 0.000 0.000) 14.644 20.589 ( -2.181 -0.000 0.000) 2.181 20.593 ( 0.193 0.000 0.000) 0.193 20.786 ( -7.329 -0.000 0.000) 7.329 21.034 ( -1.562 -0.000 0.000) 1.562 21.069 ( -7.520 -0.000 0.000) 7.520 21.372 ( -3.966 -0.000 0.000) 3.966 21.718 ( 1.012 0.000 0.000) 1.012 21.723 ( -6.428 -0.000 0.000) 6.428 21.751 ( 5.638 0.000 0.000) 5.638 21.783 ( -1.603 -0.000 0.000) 1.603 22.824 ( 31.064 0.000 0.000) 31.064 23.551 ( 14.551 0.000 0.000) 14.551 23.928 ( -12.731 -0.000 0.000) 12.731 24.407 ( 6.580 0.000 0.000) 6.580 24.558 ( -9.369 -0.000 0.000) 9.369 24.763 ( 4.388 0.000 0.000) 4.388 25.472 ( -5.225 -0.000 0.000) 5.225 25.554 ( -7.295 -0.000 0.000) 7.295 ======================= Grid point 11 (7/50) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 25.913 -9.688 0.000) 27.665 1.619 ( 23.818 -25.762 0.000) 35.086 2.262 ( 23.828 -10.965 0.000) 26.230 2.401 ( 14.863 -0.429 0.000) 14.869 2.517 ( 7.039 2.004 0.000) 7.319 2.546 ( 5.929 8.514 0.000) 10.375 3.081 ( 19.003 4.676 0.000) 19.570 3.416 ( 14.434 -10.147 0.000) 17.644 3.449 ( 16.744 -1.077 0.000) 16.779 3.582 ( 19.173 11.202 0.000) 22.205 3.740 ( 33.417 5.763 0.000) 33.910 3.831 ( 43.695 -2.387 0.000) 43.760 3.882 ( 28.846 0.551 0.000) 28.851 3.903 ( 10.664 -3.293 0.000) 11.161 3.995 ( 12.809 -3.610 0.000) 13.308 4.195 ( 11.204 -6.406 0.000) 12.906 4.272 ( -0.014 1.454 0.000) 1.454 4.337 ( 13.845 6.283 0.000) 15.204 4.391 ( 8.534 -4.589 0.000) 9.690 4.580 ( 11.042 -2.276 0.000) 11.275 4.650 ( 7.457 -6.066 0.000) 9.613 4.653 ( 4.623 -13.645 0.000) 14.407 5.041 ( 4.988 1.023 0.000) 5.092 5.226 ( 2.214 3.142 0.000) 3.843 5.400 ( 5.520 1.762 0.000) 5.794 5.429 ( -2.009 2.819 0.000) 3.462 5.464 ( -3.074 3.230 0.000) 4.459 5.640 ( 2.627 -4.806 0.000) 5.477 5.841 ( -2.158 2.817 0.000) 3.549 5.917 ( -1.377 3.883 0.000) 4.120 6.020 ( -3.644 -6.528 0.000) 7.477 6.050 ( 6.815 3.277 0.000) 7.562 6.113 ( 2.090 0.216 0.000) 2.101 6.385 ( -4.499 2.595 0.000) 5.194 6.406 ( 1.572 -1.083 0.000) 1.909 6.520 ( -14.552 -4.840 0.000) 15.336 6.588 ( 4.136 7.164 0.000) 8.273 6.780 ( 2.306 3.787 0.000) 4.434 6.800 ( 2.502 -9.459 0.000) 9.784 6.882 ( 4.157 -0.423 0.000) 4.179 7.005 ( -8.694 1.213 0.000) 8.778 7.054 ( 0.949 0.266 0.000) 0.985 7.232 ( -2.990 3.532 0.000) 4.628 7.426 ( 5.985 -0.776 0.000) 6.035 7.513 ( -14.790 3.274 0.000) 15.148 7.595 ( -6.623 -1.739 0.000) 6.847 7.644 ( 6.840 -1.390 0.000) 6.980 7.660 ( -0.554 -2.727 0.000) 2.783 7.704 ( -1.510 8.107 0.000) 8.246 8.014 ( 7.050 6.151 0.000) 9.356 8.293 ( -9.485 3.063 0.000) 9.967 8.318 ( -3.901 1.257 0.000) 4.098 8.506 ( -1.154 1.483 0.000) 1.880 8.577 ( -1.279 4.027 0.000) 4.225 8.696 ( 1.252 4.062 0.000) 4.251 8.995 ( -5.458 -6.282 0.000) 8.322 9.033 ( 2.087 4.032 0.000) 4.540 9.148 ( 1.620 -5.171 0.000) 5.419 9.705 ( 12.714 -5.762 0.000) 13.959 9.801 ( -3.239 2.481 0.000) 4.080 9.968 ( -6.969 -0.773 0.000) 7.012 10.496 ( -3.202 2.233 0.000) 3.903 10.554 ( -6.079 -0.352 0.000) 6.089 10.709 ( -1.950 -1.653 0.000) 2.556 11.918 ( -14.432 0.096 0.000) 14.432 11.978 ( -15.261 -0.137 0.000) 15.262 12.000 ( -11.115 -2.234 0.000) 11.338 12.145 ( -14.120 -1.533 0.000) 14.203 12.439 ( -0.454 -0.213 0.000) 0.501 12.671 ( -5.337 -0.279 0.000) 5.344 12.970 ( -0.154 2.063 0.000) 2.069 13.064 ( -0.615 -4.734 0.000) 4.774 13.551 ( 6.633 -1.546 0.000) 6.811 13.626 ( 6.013 -2.734 0.000) 6.606 13.707 ( 6.244 -1.832 0.000) 6.507 14.009 ( 2.318 -2.249 0.000) 3.230 14.077 ( 1.395 1.906 0.000) 2.361 14.309 ( 2.729 3.234 0.000) 4.232 14.764 ( -3.528 0.890 0.000) 3.638 14.776 ( -3.664 0.484 0.000) 3.696 15.184 ( -3.010 -1.522 0.000) 3.373 15.316 ( -5.746 -0.321 0.000) 5.755 15.539 ( -1.567 6.078 0.000) 6.277 15.646 ( 0.904 8.024 0.000) 8.075 15.775 ( 4.966 -8.961 0.000) 10.245 15.909 ( -4.065 -12.393 0.000) 13.043 16.978 ( 7.410 3.773 0.000) 8.315 17.114 ( 5.446 -4.182 0.000) 6.867 17.170 ( 0.212 5.595 0.000) 5.599 17.323 ( 8.378 -4.509 0.000) 9.514 18.491 ( 5.426 -1.628 0.000) 5.665 18.509 ( 6.267 -1.222 0.000) 6.385 19.293 ( -5.262 5.714 0.000) 7.768 19.442 ( -14.426 5.558 0.000) 15.459 20.166 ( 11.182 -2.535 0.000) 11.466 20.234 ( 13.742 -1.942 0.000) 13.878 20.578 ( -1.336 -2.395 0.000) 2.742 20.631 ( 1.705 -3.338 0.000) 3.749 20.738 ( 0.743 -2.008 0.000) 2.141 20.987 ( -2.671 -0.367 0.000) 2.697 20.999 ( -1.471 1.396 0.000) 2.028 21.259 ( -7.931 1.600 0.000) 8.091 21.603 ( -7.533 0.145 0.000) 7.534 21.718 ( -0.247 0.449 0.000) 0.512 21.770 ( 1.132 0.210 0.000) 1.151 21.836 ( 2.935 -0.992 0.000) 3.098 23.234 ( 18.929 2.361 0.000) 19.075 23.734 ( -8.862 0.426 0.000) 8.872 23.782 ( 12.766 1.090 0.000) 12.813 24.426 ( -6.510 -1.734 0.000) 6.737 24.475 ( 2.623 1.803 0.000) 3.183 24.787 ( 0.589 2.098 0.000) 2.179 25.371 ( -5.849 0.793 0.000) 5.903 25.438 ( -6.416 -0.987 0.000) 6.491 ======================= Grid point 12 (8/50) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 21.384 -15.376 0.000) 26.338 2.231 ( 12.484 -17.406 0.000) 21.420 2.512 ( 1.748 1.612 0.000) 2.378 2.588 ( 2.090 0.429 0.000) 2.134 2.725 ( 18.785 -6.529 0.000) 19.888 2.765 ( 19.153 -8.856 0.000) 21.101 3.136 ( 3.880 16.658 0.000) 17.104 3.479 ( 5.658 13.919 0.000) 15.025 3.697 ( -4.942 8.693 0.000) 9.999 3.754 ( 10.029 -4.577 0.000) 11.024 3.858 ( 5.904 0.126 0.000) 5.905 4.026 ( 7.466 9.896 0.000) 12.396 4.112 ( 8.423 3.896 0.000) 9.281 4.167 ( 14.698 -4.927 0.000) 15.502 4.194 ( 0.958 -1.941 0.000) 2.165 4.588 ( 19.849 2.978 0.000) 20.071 4.645 ( 28.378 2.649 0.000) 28.501 4.650 ( 9.073 -8.064 0.000) 12.139 4.726 ( 2.198 -8.822 0.000) 9.092 4.802 ( 24.709 -8.987 0.000) 26.293 4.863 ( 6.437 -1.575 0.000) 6.627 4.932 ( 14.883 -3.150 0.000) 15.213 5.101 ( -6.796 2.035 0.000) 7.094 5.108 ( 2.080 -5.196 0.000) 5.597 5.394 ( 3.808 8.060 0.000) 8.914 5.438 ( -1.431 -2.468 0.000) 2.853 5.489 ( 4.632 0.257 0.000) 4.640 5.748 ( 3.487 -3.976 0.000) 5.289 5.819 ( -1.031 -3.533 0.000) 3.680 5.834 ( -0.826 5.212 0.000) 5.277 5.980 ( -8.451 -4.253 0.000) 9.461 6.081 ( 1.092 3.245 0.000) 3.423 6.106 ( -0.587 1.462 0.000) 1.575 6.307 ( 0.960 2.627 0.000) 2.797 6.318 ( -9.327 -6.588 0.000) 11.419 6.499 ( -0.795 -0.780 0.000) 1.114 6.523 ( -4.709 6.633 0.000) 8.134 6.724 ( -7.025 8.704 0.000) 11.186 6.784 ( -9.222 -1.720 0.000) 9.381 6.947 ( 3.616 -5.018 0.000) 6.185 6.991 ( 4.753 -4.032 0.000) 6.233 7.048 ( -0.715 2.865 0.000) 2.953 7.066 ( -12.770 4.439 0.000) 13.519 7.236 ( -7.985 0.790 0.000) 8.024 7.472 ( -6.640 4.862 0.000) 8.229 7.510 ( -4.780 1.345 0.000) 4.965 7.548 ( 4.548 -3.500 0.000) 5.739 7.704 ( -0.151 -5.460 0.000) 5.462 7.840 ( 9.669 1.504 0.000) 9.785 8.021 ( 2.829 4.154 0.000) 5.026 8.096 ( -9.910 1.360 0.000) 10.003 8.256 ( -2.519 1.720 0.000) 3.051 8.481 ( -1.514 0.022 0.000) 1.514 8.509 ( -2.019 2.661 0.000) 3.340 8.692 ( 3.832 5.123 0.000) 6.397 8.884 ( -7.047 -1.421 0.000) 7.189 9.017 ( 2.987 5.562 0.000) 6.313 9.217 ( 1.063 -2.920 0.000) 3.108 9.684 ( -5.132 3.734 0.000) 6.346 9.876 ( -5.126 -1.268 0.000) 5.281 10.050 ( 15.957 -6.213 0.000) 17.124 10.441 ( -7.425 0.317 0.000) 7.431 10.485 ( 2.375 -0.558 0.000) 2.439 10.697 ( -1.088 -0.811 0.000) 1.357 11.737 ( -6.309 -0.216 0.000) 6.313 11.797 ( -6.290 -0.778 0.000) 6.338 11.886 ( -3.950 -1.035 0.000) 4.084 11.984 ( -5.484 -0.401 0.000) 5.499 12.433 ( -0.034 0.516 0.000) 0.517 12.634 ( -1.879 -2.987 0.000) 3.528 12.958 ( 0.384 0.440 0.000) 0.584 13.118 ( -0.455 -5.378 0.000) 5.397 13.655 ( 2.169 -2.999 0.000) 3.701 13.754 ( 4.140 -3.991 0.000) 5.750 13.835 ( 5.155 -3.139 0.000) 6.035 14.046 ( -1.752 -2.900 0.000) 3.388 14.066 ( 0.535 3.138 0.000) 3.183 14.270 ( -0.468 5.900 0.000) 5.919 14.685 ( -3.956 1.136 0.000) 4.116 14.712 ( -3.331 0.003 0.000) 3.331 15.165 ( -0.930 -1.144 0.000) 1.474 15.248 ( -2.538 -0.427 0.000) 2.574 15.458 ( -0.217 4.415 0.000) 4.420 15.542 ( -1.343 5.141 0.000) 5.314 15.983 ( 5.908 -9.031 0.000) 10.791 16.080 ( 3.582 -11.821 0.000) 12.352 16.965 ( 2.059 7.638 0.000) 7.911 17.094 ( 1.090 8.016 0.000) 8.090 17.293 ( 6.223 -4.711 0.000) 7.805 17.501 ( 6.217 -3.306 0.000) 7.042 18.607 ( 4.706 -3.130 0.000) 5.651 18.647 ( 7.387 -2.634 0.000) 7.842 19.120 ( -5.416 7.340 0.000) 9.121 19.172 ( -9.291 6.756 0.000) 11.488 20.347 ( 6.959 -2.337 0.000) 7.341 20.410 ( 5.796 1.148 0.000) 5.908 20.599 ( 1.751 -0.605 0.000) 1.853 20.738 ( 3.722 -5.578 0.000) 6.706 20.822 ( 4.246 -1.424 0.000) 4.478 20.981 ( 3.316 2.320 0.000) 4.047 20.981 ( -0.088 -1.689 0.000) 1.692 21.105 ( -5.505 2.277 0.000) 5.957 21.469 ( -7.144 1.131 0.000) 7.233 21.709 ( -0.368 0.108 0.000) 0.384 21.800 ( 1.683 -0.674 0.000) 1.813 21.880 ( 1.870 0.408 0.000) 1.914 23.408 ( 7.675 4.952 0.000) 9.134 23.635 ( -2.463 -0.084 0.000) 2.465 23.923 ( 5.937 2.407 0.000) 6.406 24.387 ( -3.853 -5.203 0.000) 6.474 24.456 ( -2.124 1.386 0.000) 2.536 24.746 ( -2.507 1.515 0.000) 2.929 25.283 ( -3.380 -0.026 0.000) 3.380 25.373 ( -3.439 -1.918 0.000) 3.938 ======================= Grid point 13 (9/50) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 2.477 0.713 0.000) 2.578 2.527 ( -0.992 -2.857 0.000) 3.024 2.564 ( -5.109 -1.657 0.000) 5.371 2.617 ( 14.296 -15.949 0.000) 21.418 2.878 ( -0.744 23.097 0.000) 23.109 3.033 ( 1.315 3.557 0.000) 3.792 3.228 ( 14.029 -22.095 0.000) 26.173 3.255 ( -3.202 21.546 0.000) 21.783 3.483 ( 0.861 5.770 0.000) 5.834 3.783 ( -3.012 7.299 0.000) 7.896 3.947 ( -1.367 0.861 0.000) 1.615 4.055 ( 6.503 7.605 0.000) 10.007 4.127 ( 3.946 3.442 0.000) 5.237 4.275 ( 1.878 0.387 0.000) 1.918 4.442 ( 3.619 1.900 0.000) 4.088 4.585 ( -1.281 -0.586 0.000) 1.408 4.753 ( -4.559 10.936 0.000) 11.848 4.764 ( -2.562 -0.774 0.000) 2.676 4.853 ( 3.453 2.821 0.000) 4.458 4.900 ( 8.793 4.309 0.000) 9.792 5.006 ( -4.363 11.252 0.000) 12.069 5.067 ( -4.632 0.551 0.000) 4.665 5.178 ( 3.583 -5.593 0.000) 6.642 5.278 ( 4.388 -14.409 0.000) 15.063 5.379 ( 2.555 2.017 0.000) 3.255 5.426 ( -1.142 1.222 0.000) 1.673 5.473 ( -5.731 2.053 0.000) 6.087 5.748 ( -3.581 6.850 0.000) 7.729 5.793 ( -7.486 -10.794 0.000) 13.136 5.865 ( 0.725 -5.960 0.000) 6.003 5.998 ( -7.345 1.084 0.000) 7.425 6.025 ( -0.451 -1.754 0.000) 1.811 6.082 ( 2.372 -1.035 0.000) 2.588 6.247 ( -13.294 3.500 0.000) 13.747 6.268 ( -6.788 5.846 0.000) 8.958 6.333 ( 4.692 1.874 0.000) 5.052 6.377 ( -9.201 -6.187 0.000) 11.088 6.501 ( -3.083 -3.182 0.000) 4.431 6.810 ( 4.849 -1.025 0.000) 4.956 6.838 ( -8.699 -0.493 0.000) 8.713 6.982 ( 0.054 3.201 0.000) 3.201 7.050 ( 1.429 1.970 0.000) 2.434 7.106 ( 3.976 -8.494 0.000) 9.378 7.234 ( 4.671 -2.748 0.000) 5.420 7.367 ( -4.201 0.213 0.000) 4.207 7.403 ( -4.371 3.837 0.000) 5.816 7.665 ( 2.830 -3.760 0.000) 4.706 7.786 ( 1.357 -5.504 0.000) 5.669 7.902 ( -0.317 5.005 0.000) 5.015 7.969 ( -2.391 -1.288 0.000) 2.715 8.003 ( -0.427 3.576 0.000) 3.601 8.196 ( -1.521 1.527 0.000) 2.156 8.422 ( -6.135 -1.342 0.000) 6.280 8.426 ( -5.873 -0.219 0.000) 5.877 8.673 ( 1.676 3.163 0.000) 3.579 8.909 ( 8.442 0.749 0.000) 8.475 8.995 ( 2.703 5.542 0.000) 6.166 9.271 ( 2.149 -1.706 0.000) 2.744 9.568 ( -4.546 0.730 0.000) 4.604 9.836 ( -1.996 -1.854 0.000) 2.724 10.289 ( -6.339 2.198 0.000) 6.710 10.362 ( 11.749 -3.013 0.000) 12.129 10.548 ( 3.947 0.662 0.000) 4.002 10.702 ( 1.310 -0.362 0.000) 1.359 11.732 ( 5.266 -0.491 0.000) 5.289 11.798 ( 5.252 -0.962 0.000) 5.340 11.916 ( 7.247 0.319 0.000) 7.254 11.996 ( 7.030 0.228 0.000) 7.034 12.428 ( 0.264 0.472 0.000) 0.541 12.660 ( -0.412 -3.504 0.000) 3.528 12.963 ( 0.229 -0.091 0.000) 0.247 13.177 ( 0.008 -4.588 0.000) 4.588 13.686 ( -3.035 -2.808 0.000) 4.134 13.854 ( 1.291 -3.982 0.000) 4.186 13.946 ( 3.188 -2.390 0.000) 3.984 14.010 ( -1.238 4.743 0.000) 4.902 14.016 ( -5.981 -2.810 0.000) 6.609 14.172 ( -2.180 4.981 0.000) 5.438 14.619 ( -3.230 -0.828 0.000) 3.334 14.666 ( -3.174 -1.509 0.000) 3.514 15.191 ( 2.464 -1.065 0.000) 2.685 15.249 ( 1.525 -1.012 0.000) 1.830 15.426 ( 2.549 3.919 0.000) 4.675 15.493 ( 1.804 3.473 0.000) 3.913 16.169 ( 4.287 -6.056 0.000) 7.420 16.276 ( 3.969 -8.561 0.000) 9.436 16.890 ( 1.316 8.301 0.000) 8.404 17.017 ( 2.657 9.125 0.000) 9.504 17.402 ( 2.121 -1.004 0.000) 2.346 17.595 ( 2.248 -0.074 0.000) 2.249 18.721 ( 2.822 -4.609 0.000) 5.404 18.817 ( 7.453 -3.408 0.000) 8.195 18.939 ( -5.062 7.280 0.000) 8.867 18.956 ( -5.977 6.596 0.000) 8.901 20.420 ( -1.378 2.042 0.000) 2.464 20.438 ( 0.424 0.234 0.000) 0.484 20.652 ( 5.873 1.741 0.000) 6.126 20.844 ( 2.759 -3.149 0.000) 4.187 20.856 ( 0.114 -0.225 0.000) 0.252 20.989 ( 0.047 -1.240 0.000) 1.241 21.035 ( 4.286 4.232 0.000) 6.023 21.107 ( 6.826 1.820 0.000) 7.064 21.391 ( 0.975 -0.697 0.000) 1.199 21.703 ( -0.575 -0.219 0.000) 0.616 21.831 ( 1.037 -0.153 0.000) 1.048 21.890 ( 1.020 1.536 0.000) 1.844 23.393 ( -1.451 4.727 0.000) 4.945 23.644 ( 3.433 1.344 0.000) 3.687 23.910 ( -3.515 2.822 0.000) 4.508 24.383 ( -5.908 -0.994 0.000) 5.991 24.404 ( -3.436 -6.841 0.000) 7.656 24.677 ( -4.336 -0.102 0.000) 4.337 25.271 ( 1.103 -1.110 0.000) 1.564 25.369 ( -0.108 -2.168 0.000) 2.171 ======================= Grid point 14 (10/50) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -11.107 5.134 0.000) 12.236 2.434 ( -8.974 -0.236 0.000) 8.977 2.486 ( -6.312 6.727 0.000) 9.225 2.559 ( -19.275 24.941 0.000) 31.521 2.721 ( 4.373 1.655 0.000) 4.676 2.956 ( 5.110 -8.402 0.000) 9.834 3.093 ( -1.068 13.347 0.000) 13.389 3.446 ( -10.488 17.161 0.000) 20.113 3.583 ( 6.549 -3.823 0.000) 7.583 3.678 ( -15.524 1.890 0.000) 15.639 3.704 ( -1.734 -7.629 0.000) 7.824 3.979 ( -2.852 13.429 0.000) 13.729 4.042 ( -10.380 11.038 0.000) 15.152 4.098 ( -26.160 6.714 0.000) 27.008 4.264 ( -4.587 8.517 0.000) 9.674 4.486 ( -7.840 11.476 0.000) 13.898 4.547 ( -15.379 15.586 0.000) 21.896 4.554 ( -6.662 -1.586 0.000) 6.848 4.691 ( -16.493 6.301 0.000) 17.655 4.802 ( -6.285 5.123 0.000) 8.108 4.910 ( 2.613 -5.404 0.000) 6.003 4.973 ( 1.123 4.822 0.000) 4.951 5.198 ( -2.711 2.194 0.000) 3.488 5.235 ( -12.766 10.607 0.000) 16.598 5.294 ( 2.149 4.623 0.000) 5.098 5.461 ( 0.121 -0.965 0.000) 0.973 5.490 ( -8.532 4.484 0.000) 9.639 5.518 ( 1.680 -8.313 0.000) 8.481 5.810 ( -7.115 -2.996 0.000) 7.720 5.858 ( -4.960 -2.148 0.000) 5.405 5.932 ( -2.787 -7.626 0.000) 8.119 5.965 ( 0.811 1.900 0.000) 2.066 6.145 ( -1.905 -3.322 0.000) 3.830 6.156 ( -1.939 -4.653 0.000) 5.041 6.186 ( 7.500 1.415 0.000) 7.632 6.414 ( 2.809 -0.858 0.000) 2.937 6.431 ( -1.947 -9.396 0.000) 9.596 6.537 ( -0.122 -5.866 0.000) 5.867 6.779 ( -3.169 -5.321 0.000) 6.193 6.884 ( 1.963 0.173 0.000) 1.970 7.011 ( -3.491 0.098 0.000) 3.492 7.054 ( 7.470 -2.198 0.000) 7.786 7.257 ( -4.612 5.817 0.000) 7.424 7.280 ( -6.547 -2.250 0.000) 6.923 7.300 ( 3.382 -10.203 0.000) 10.749 7.396 ( 9.209 -2.270 0.000) 9.485 7.663 ( -4.879 3.767 0.000) 6.164 7.816 ( -0.812 5.493 0.000) 5.553 7.841 ( -1.955 1.037 0.000) 2.213 7.936 ( -1.357 -0.762 0.000) 1.556 7.948 ( -5.238 -4.831 0.000) 7.126 8.123 ( -3.751 5.307 0.000) 6.499 8.376 ( -4.422 -7.247 0.000) 8.490 8.386 ( -2.049 -5.440 0.000) 5.813 8.695 ( 6.004 3.725 0.000) 7.065 8.981 ( 2.919 3.834 0.000) 4.819 9.093 ( 12.725 -0.505 0.000) 12.735 9.307 ( 0.882 1.179 0.000) 1.472 9.557 ( 0.256 -6.063 0.000) 6.068 9.846 ( -0.171 -2.461 0.000) 2.467 10.114 ( -8.050 5.109 0.000) 9.534 10.576 ( 10.300 0.061 0.000) 10.300 10.578 ( 2.532 2.902 0.000) 3.851 10.752 ( 3.885 0.266 0.000) 3.894 11.915 ( 15.055 -0.543 0.000) 15.065 11.988 ( 15.485 -0.661 0.000) 15.500 12.106 ( 15.203 1.262 0.000) 15.255 12.200 ( 16.803 0.460 0.000) 16.809 12.436 ( 1.704 0.078 0.000) 1.706 12.693 ( 0.156 -2.043 0.000) 2.049 12.962 ( -0.161 0.336 0.000) 0.373 13.222 ( 0.145 -1.889 0.000) 1.894 13.618 ( -7.943 -1.168 0.000) 8.028 13.847 ( -5.286 1.508 0.000) 5.497 13.885 ( -7.942 1.946 0.000) 8.177 13.951 ( -0.285 1.054 0.000) 1.092 14.013 ( -1.454 -2.748 0.000) 3.109 14.102 ( -2.713 -0.649 0.000) 2.789 14.607 ( -1.363 -3.817 0.000) 4.053 14.650 ( -2.112 -3.598 0.000) 4.172 15.268 ( 4.351 -1.678 0.000) 4.663 15.313 ( 3.325 -2.078 0.000) 3.921 15.446 ( 6.121 4.667 0.000) 7.697 15.514 ( 5.797 3.380 0.000) 6.710 16.244 ( 1.096 2.365 0.000) 2.606 16.402 ( 3.102 -1.860 0.000) 3.617 16.830 ( 1.507 4.257 0.000) 4.516 16.975 ( 4.181 6.308 0.000) 7.568 17.379 ( -2.736 4.043 0.000) 4.881 17.574 ( -2.004 3.915 0.000) 4.398 18.728 ( -3.942 5.997 0.000) 7.177 18.748 ( -4.714 7.787 0.000) 9.103 18.862 ( 0.006 -6.017 0.000) 6.017 19.040 ( 8.306 -6.617 0.000) 10.619 20.327 ( -6.453 2.057 0.000) 6.773 20.339 ( -7.873 3.074 0.000) 8.452 20.764 ( 10.785 3.611 0.000) 11.374 20.905 ( 6.649 1.597 0.000) 6.838 20.933 ( 4.875 0.014 0.000) 4.875 20.995 ( 3.120 7.428 0.000) 8.056 21.013 ( 0.783 -0.285 0.000) 0.833 21.209 ( 7.942 2.267 0.000) 8.259 21.515 ( 7.821 -3.377 0.000) 8.519 21.692 ( -1.135 -0.213 0.000) 1.155 21.821 ( -1.247 1.838 0.000) 2.221 21.887 ( 0.759 1.314 0.000) 1.518 23.247 ( -9.137 5.255 0.000) 10.540 23.692 ( 3.295 0.565 0.000) 3.343 23.753 ( -11.044 1.852 0.000) 11.198 24.292 ( -8.482 -4.030 0.000) 9.390 24.441 ( -1.709 -6.643 0.000) 6.859 24.612 ( -4.523 -1.631 0.000) 4.808 25.335 ( 4.203 -1.401 0.000) 4.430 25.418 ( 2.507 -2.226 0.000) 3.353 ======================= Grid point 15 (11/50) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -19.632 28.156 0.000) 34.324 2.045 ( -12.800 4.215 0.000) 13.476 2.230 ( -11.055 4.707 0.000) 12.016 2.292 ( -14.165 -0.760 0.000) 14.186 2.729 ( -16.440 15.861 0.000) 22.844 2.805 ( -5.165 22.516 0.000) 23.101 2.881 ( -16.036 3.103 0.000) 16.333 3.071 ( -10.424 -0.673 0.000) 10.446 3.170 ( -37.426 5.529 0.000) 37.832 3.194 ( -25.131 14.759 0.000) 29.144 3.473 ( -20.087 17.178 0.000) 26.430 3.558 ( -20.083 20.458 0.000) 28.668 3.563 ( -20.107 18.390 0.000) 27.248 4.011 ( 6.235 -7.396 0.000) 9.673 4.061 ( -2.869 -7.446 0.000) 7.980 4.156 ( -14.229 6.328 0.000) 15.573 4.264 ( -2.978 12.485 0.000) 12.835 4.338 ( -5.788 14.213 0.000) 15.347 4.547 ( -4.494 16.486 0.000) 17.088 4.731 ( 3.931 -12.680 0.000) 13.275 4.875 ( -4.595 10.572 0.000) 11.527 4.923 ( -5.680 8.607 0.000) 10.312 4.929 ( -2.477 5.375 0.000) 5.919 5.155 ( -2.738 1.547 0.000) 3.145 5.259 ( 2.129 4.318 0.000) 4.815 5.330 ( -4.717 1.387 0.000) 4.916 5.486 ( 2.693 -1.489 0.000) 3.077 5.644 ( 0.624 -7.780 0.000) 7.805 5.731 ( -4.831 1.057 0.000) 4.945 5.771 ( -4.168 -0.094 0.000) 4.169 5.930 ( 0.794 4.677 0.000) 4.744 6.002 ( 0.651 -3.278 0.000) 3.343 6.156 ( -3.159 -2.841 0.000) 4.248 6.284 ( 0.981 -13.417 0.000) 13.453 6.326 ( 3.064 -3.147 0.000) 4.392 6.425 ( 3.182 1.492 0.000) 3.515 6.512 ( -0.210 -7.731 0.000) 7.734 6.625 ( -0.571 -7.766 0.000) 7.787 6.832 ( -0.062 -5.694 0.000) 5.695 6.901 ( -0.137 -0.062 0.000) 0.151 6.940 ( -5.942 -1.851 0.000) 6.224 7.067 ( -4.665 1.630 0.000) 4.942 7.120 ( -2.477 4.398 0.000) 5.047 7.334 ( 2.210 -9.224 0.000) 9.485 7.430 ( -1.501 -7.092 0.000) 7.249 7.493 ( -6.579 3.119 0.000) 7.281 7.571 ( 4.372 -4.910 0.000) 6.574 7.685 ( -3.602 8.232 0.000) 8.985 7.702 ( -8.614 1.520 0.000) 8.747 7.948 ( -4.013 -6.133 0.000) 7.330 7.959 ( -0.749 7.061 0.000) 7.101 8.018 ( 0.129 -4.127 0.000) 4.129 8.416 ( -2.413 -7.156 0.000) 7.552 8.444 ( -0.632 -5.850 0.000) 5.884 8.781 ( 8.292 2.258 0.000) 8.594 9.007 ( 3.762 1.088 0.000) 3.916 9.300 ( 0.580 -0.011 0.000) 0.580 9.320 ( 12.427 -0.335 0.000) 12.431 9.690 ( 3.553 -7.889 0.000) 8.652 9.882 ( -0.159 -3.340 0.000) 3.343 9.890 ( -8.041 9.228 0.000) 12.240 10.577 ( 2.188 3.399 0.000) 4.042 10.706 ( 6.912 2.087 0.000) 7.220 10.804 ( 3.263 1.560 0.000) 3.617 12.213 ( 18.372 0.002 0.000) 18.372 12.300 ( 8.385 2.540 0.000) 8.761 12.305 ( 21.100 0.292 0.000) 21.102 12.507 ( 19.547 1.187 0.000) 19.583 12.544 ( 13.022 0.433 0.000) 13.029 12.720 ( 1.153 -1.425 0.000) 1.833 12.955 ( 0.328 0.479 0.000) 0.581 13.216 ( -1.303 1.703 0.000) 2.144 13.455 ( -11.901 0.372 0.000) 11.907 13.688 ( -8.390 4.440 0.000) 9.492 13.704 ( -10.150 2.375 0.000) 10.424 13.930 ( -2.428 -0.930 0.000) 2.600 13.988 ( -4.190 -2.067 0.000) 4.672 14.078 ( -3.548 -2.948 0.000) 4.613 14.669 ( 0.867 -6.640 0.000) 6.697 14.696 ( 0.431 -6.364 0.000) 6.378 15.357 ( 2.376 -2.694 0.000) 3.592 15.387 ( 1.223 -2.934 0.000) 3.179 15.516 ( 10.832 7.309 0.000) 13.067 15.606 ( 10.698 4.081 0.000) 11.450 16.147 ( -2.142 10.783 0.000) 10.993 16.434 ( 3.977 5.138 0.000) 6.498 16.831 ( 0.649 -0.066 0.000) 0.652 17.000 ( 3.437 0.829 0.000) 3.536 17.218 ( -6.786 8.098 0.000) 10.565 17.437 ( -5.558 7.417 0.000) 9.268 18.575 ( -3.771 6.920 0.000) 7.881 18.586 ( -3.282 7.434 0.000) 8.126 18.958 ( -1.307 -10.107 0.000) 10.191 19.281 ( 8.000 -9.887 0.000) 12.718 20.155 ( -7.877 4.081 0.000) 8.871 20.175 ( -6.899 2.689 0.000) 7.404 20.905 ( 12.613 6.034 0.000) 13.982 20.944 ( 7.431 9.152 0.000) 11.789 20.986 ( 4.389 8.131 0.000) 9.240 21.040 ( 6.955 -1.013 0.000) 7.028 21.075 ( 9.391 1.599 0.000) 9.526 21.317 ( 6.561 0.130 0.000) 6.562 21.653 ( -1.090 -2.183 0.000) 2.440 21.682 ( 3.363 -1.185 0.000) 3.565 21.749 ( -4.129 2.456 0.000) 4.804 21.875 ( -0.366 1.423 0.000) 1.469 22.942 ( -18.325 7.066 0.000) 19.640 23.523 ( -13.656 0.478 0.000) 13.664 23.726 ( -1.257 -2.652 0.000) 2.935 24.205 ( -9.343 -6.335 0.000) 11.288 24.519 ( 1.484 -6.309 0.000) 6.481 24.570 ( -2.521 -1.437 0.000) 2.902 25.431 ( 4.661 -1.465 0.000) 4.886 25.501 ( 3.719 -2.403 0.000) 4.428 ======================= Grid point 16 (12/50) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -14.896 29.970 0.000) 33.468 1.568 ( -53.290 11.724 0.000) 54.565 1.873 ( -13.925 1.700 0.000) 14.028 2.043 ( -6.306 -2.585 0.000) 6.815 2.098 ( -45.883 15.757 0.000) 48.514 2.260 ( -6.972 6.960 0.000) 9.852 2.379 ( -11.962 47.841 0.000) 49.314 2.426 ( -6.077 30.542 0.000) 31.140 2.722 ( -11.508 9.484 0.000) 14.913 2.950 ( -19.489 20.931 0.000) 28.599 2.958 ( -19.030 16.844 0.000) 25.414 3.145 ( -1.757 -5.434 0.000) 5.711 3.316 ( -3.034 -14.514 0.000) 14.828 3.810 ( -10.963 6.689 0.000) 12.842 4.030 ( -3.435 14.752 0.000) 15.147 4.081 ( -2.073 6.987 0.000) 7.288 4.117 ( -0.596 14.471 0.000) 14.483 4.255 ( 4.039 -7.841 0.000) 8.820 4.280 ( -0.573 13.241 0.000) 13.253 4.655 ( -2.397 13.774 0.000) 13.981 4.716 ( -4.413 8.156 0.000) 9.274 4.811 ( -4.796 3.171 0.000) 5.750 4.855 ( 0.716 2.121 0.000) 2.239 5.044 ( -4.989 3.442 0.000) 6.062 5.269 ( -0.939 0.735 0.000) 1.193 5.358 ( 5.714 -10.735 0.000) 12.161 5.549 ( -2.025 -3.100 0.000) 3.703 5.615 ( -5.628 2.722 0.000) 6.252 5.739 ( 0.523 -3.281 0.000) 3.322 5.754 ( 3.909 0.925 0.000) 4.017 5.906 ( 0.988 -0.227 0.000) 1.014 6.035 ( -2.536 -2.483 0.000) 3.549 6.115 ( -0.553 2.749 0.000) 2.805 6.258 ( -6.584 -0.545 0.000) 6.606 6.422 ( 3.126 -3.010 0.000) 4.340 6.545 ( 5.888 1.241 0.000) 6.017 6.627 ( -1.066 -0.886 0.000) 1.386 6.668 ( -4.329 -14.008 0.000) 14.662 6.821 ( -3.161 2.098 0.000) 3.794 6.840 ( -6.586 -1.896 0.000) 6.854 6.923 ( -3.244 -6.838 0.000) 7.569 7.075 ( 4.950 -5.834 0.000) 7.651 7.105 ( 0.405 -4.446 0.000) 4.464 7.394 ( -7.779 -2.336 0.000) 8.122 7.401 ( -2.795 -2.911 0.000) 4.036 7.436 ( 1.074 6.073 0.000) 6.167 7.576 ( -2.467 -4.835 0.000) 5.428 7.604 ( -2.743 -1.348 0.000) 3.056 7.643 ( -3.039 -5.458 0.000) 6.247 7.827 ( -2.256 7.815 0.000) 8.134 7.937 ( -4.450 -3.516 0.000) 5.672 8.112 ( 2.757 -3.535 0.000) 4.483 8.474 ( -0.937 -7.275 0.000) 7.336 8.498 ( -0.383 -4.359 0.000) 4.375 8.891 ( 5.802 0.334 0.000) 5.811 9.064 ( 2.840 -0.382 0.000) 2.866 9.356 ( 4.147 -3.142 0.000) 5.203 9.392 ( 2.215 18.163 0.000) 18.298 9.703 ( -0.919 -0.026 0.000) 0.920 9.825 ( 2.478 -4.646 0.000) 5.266 9.914 ( -2.269 -4.772 0.000) 5.284 10.569 ( 1.282 2.766 0.000) 3.049 10.760 ( 3.359 2.937 0.000) 4.462 10.816 ( 1.089 2.415 0.000) 2.649 12.325 ( 1.274 0.861 0.000) 1.538 12.513 ( 14.646 4.552 0.000) 15.337 12.647 ( 19.783 2.218 0.000) 19.907 12.714 ( 9.865 2.860 0.000) 10.271 12.761 ( 11.637 3.034 0.000) 12.026 12.870 ( 12.578 -3.685 0.000) 13.107 12.996 ( 5.759 -0.513 0.000) 5.782 13.136 ( -4.438 2.627 0.000) 5.158 13.222 ( -14.582 0.788 0.000) 14.603 13.469 ( -10.472 4.655 0.000) 11.460 13.492 ( -11.674 1.939 0.000) 11.834 13.910 ( -2.183 -3.176 0.000) 3.854 13.940 ( -3.186 -0.867 0.000) 3.301 14.062 ( -3.114 -4.230 0.000) 5.252 14.788 ( 1.981 -7.962 0.000) 8.204 14.814 ( 2.220 -8.438 0.000) 8.725 15.404 ( -0.125 -2.087 0.000) 2.090 15.419 ( -0.965 -2.079 0.000) 2.292 15.592 ( 11.019 13.488 0.000) 17.417 15.762 ( 13.134 3.872 0.000) 13.692 15.956 ( -3.714 8.632 0.000) 9.397 16.436 ( 4.731 5.977 0.000) 7.622 16.776 ( -4.775 7.327 0.000) 8.745 17.022 ( -2.525 1.038 0.000) 2.729 17.032 ( -3.393 2.950 0.000) 4.496 17.248 ( -3.947 5.689 0.000) 6.925 18.442 ( -2.330 5.971 0.000) 6.410 18.458 ( -1.571 6.508 0.000) 6.695 19.068 ( -1.780 -12.276 0.000) 12.405 19.520 ( 3.060 -11.230 0.000) 11.639 19.991 ( -4.343 5.636 0.000) 7.116 20.095 ( 0.847 -1.021 0.000) 1.326 20.905 ( 1.523 11.261 0.000) 11.363 21.013 ( 15.970 10.146 0.000) 18.920 21.023 ( 8.848 4.685 0.000) 10.012 21.220 ( 12.609 0.194 0.000) 12.611 21.231 ( 12.832 3.050 0.000) 13.189 21.406 ( 3.465 0.336 0.000) 3.481 21.581 ( -9.060 -1.221 0.000) 9.142 21.621 ( -8.316 1.437 0.000) 8.439 21.745 ( -1.040 -2.068 0.000) 2.315 21.846 ( -0.872 0.791 0.000) 1.178 22.469 ( -22.719 11.868 0.000) 25.632 23.317 ( -9.752 -0.384 0.000) 9.760 23.694 ( -8.981 -5.406 0.000) 10.483 24.146 ( -6.825 -6.801 0.000) 9.635 24.562 ( -0.238 -1.243 0.000) 1.266 24.642 ( 3.732 -5.234 0.000) 6.429 25.515 ( 2.901 -1.436 0.000) 3.236 25.593 ( 3.087 -2.868 0.000) 4.214 ======================= Grid point 17 (13/50) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.000 25.534 0.000) 25.534 0.711 ( -0.000 30.917 0.000) 30.917 1.424 ( -0.000 15.055 0.000) 15.055 1.561 ( -0.000 61.802 0.000) 61.802 1.713 ( -0.000 3.117 0.000) 3.117 1.963 ( -0.000 34.078 0.000) 34.078 2.140 ( 0.000 -18.651 0.000) 18.651 2.188 ( -0.000 0.463 0.000) 0.463 2.460 ( -0.000 15.528 0.000) 15.528 2.505 ( -0.000 20.327 0.000) 20.327 2.618 ( -0.000 6.754 0.000) 6.754 3.208 ( 0.000 -7.811 0.000) 7.811 3.518 ( 0.000 -18.071 0.000) 18.071 3.638 ( -0.000 4.639 0.000) 4.639 3.778 ( -0.000 29.853 0.000) 29.853 3.824 ( -0.000 11.647 0.000) 11.647 3.927 ( -0.000 15.777 0.000) 15.777 4.256 ( 0.000 -3.077 0.000) 3.077 4.366 ( 0.000 -6.479 0.000) 6.479 4.448 ( -0.000 13.056 0.000) 13.056 4.655 ( -0.000 0.125 0.000) 0.125 4.717 ( -0.000 3.613 0.000) 3.613 4.764 ( -0.000 10.933 0.000) 10.933 4.953 ( -0.000 3.224 0.000) 3.224 5.278 ( 0.000 -2.876 0.000) 2.876 5.513 ( 0.000 -0.302 0.000) 0.302 5.515 ( -0.000 2.869 0.000) 2.869 5.614 ( 0.000 -16.974 0.000) 16.974 5.711 ( -0.000 6.358 0.000) 6.358 5.800 ( -0.000 1.617 0.000) 1.617 5.980 ( 0.000 -7.905 0.000) 7.905 6.006 ( 0.000 -0.299 0.000) 0.299 6.034 ( -0.000 5.322 0.000) 5.322 6.256 ( 0.000 -3.534 0.000) 3.534 6.449 ( -0.000 7.965 0.000) 7.965 6.537 ( -0.000 6.517 0.000) 6.517 6.572 ( 0.000 -4.848 0.000) 4.848 6.728 ( 0.000 -2.353 0.000) 2.353 6.758 ( -0.000 0.355 0.000) 0.355 6.903 ( 0.000 -12.796 0.000) 12.796 6.944 ( 0.000 -3.864 0.000) 3.864 7.196 ( 0.000 -7.377 0.000) 7.377 7.289 ( 0.000 -14.355 0.000) 14.355 7.300 ( -0.000 9.349 0.000) 9.349 7.343 ( 0.000 -1.507 0.000) 1.507 7.418 ( 0.000 -0.868 0.000) 0.868 7.580 ( -0.000 0.610 0.000) 0.610 7.658 ( 0.000 -8.431 0.000) 8.431 7.660 ( 0.000 -3.492 0.000) 3.492 7.705 ( -0.000 7.466 0.000) 7.466 7.908 ( 0.000 -0.737 0.000) 0.737 8.172 ( 0.000 -2.308 0.000) 2.308 8.541 ( 0.000 -3.123 0.000) 3.123 8.561 ( 0.000 -7.341 0.000) 7.341 8.943 ( 0.000 -0.204 0.000) 0.204 9.050 ( -0.000 31.429 0.000) 31.429 9.095 ( 0.000 -0.467 0.000) 0.467 9.494 ( 0.000 -7.459 0.000) 7.459 9.765 ( 0.000 -4.110 0.000) 4.110 9.881 ( -0.000 0.410 0.000) 0.410 9.919 ( 0.000 -4.102 0.000) 4.102 10.543 ( -0.000 2.725 0.000) 2.725 10.752 ( -0.000 2.569 0.000) 2.569 10.790 ( -0.000 2.372 0.000) 2.372 12.328 ( -0.000 0.135 0.000) 0.135 12.535 ( -0.000 7.658 0.000) 7.658 12.765 ( -0.000 4.197 0.000) 4.197 12.882 ( -0.000 3.473 0.000) 3.473 12.908 ( -0.000 0.196 0.000) 0.196 12.968 ( -0.000 0.543 0.000) 0.543 12.997 ( -0.000 0.292 0.000) 0.292 13.065 ( 0.000 -0.562 0.000) 0.562 13.137 ( 0.000 -0.438 0.000) 0.438 13.292 ( -0.000 2.907 0.000) 2.907 13.325 ( -0.000 1.557 0.000) 1.557 13.922 ( 0.000 -0.229 0.000) 0.229 13.956 ( 0.000 -7.186 0.000) 7.186 14.090 ( 0.000 -4.646 0.000) 4.646 14.895 ( 0.000 -4.260 0.000) 4.260 14.951 ( 0.000 -8.499 0.000) 8.499 15.416 ( 0.000 -0.928 0.000) 0.928 15.423 ( 0.000 -0.988 0.000) 0.988 15.476 ( -0.000 16.403 0.000) 16.403 15.887 ( -0.000 0.952 0.000) 0.952 15.889 ( -0.000 0.947 0.000) 0.947 16.433 ( -0.000 2.839 0.000) 2.839 16.572 ( -0.000 12.266 0.000) 12.266 16.871 ( -0.000 9.770 0.000) 9.770 17.015 ( 0.000 -1.544 0.000) 1.544 17.231 ( 0.000 -3.588 0.000) 3.588 18.357 ( -0.000 4.356 0.000) 4.356 18.375 ( -0.000 4.848 0.000) 4.848 19.212 ( 0.000 -13.685 0.000) 13.685 19.633 ( 0.000 -5.282 0.000) 5.282 19.870 ( -0.000 8.058 0.000) 8.058 20.219 ( 0.000 -12.205 0.000) 12.205 20.778 ( -0.000 10.644 0.000) 10.644 21.060 ( -0.000 2.937 0.000) 2.937 21.216 ( -0.000 6.693 0.000) 6.693 21.358 ( -0.000 0.827 0.000) 0.827 21.398 ( -0.000 0.704 0.000) 0.704 21.403 ( -0.000 0.844 0.000) 0.844 21.439 ( -0.000 0.721 0.000) 0.721 21.446 ( 0.000 -0.592 0.000) 0.592 21.683 ( -0.000 1.424 0.000) 1.424 21.837 ( 0.000 -0.021 0.000) 0.021 22.039 ( -0.000 15.569 0.000) 15.569 23.237 ( 0.000 -0.591 0.000) 0.591 23.606 ( 0.000 -1.512 0.000) 1.512 24.161 ( 0.000 -5.414 0.000) 5.414 24.575 ( 0.000 -0.181 0.000) 0.181 24.745 ( 0.000 -4.970 0.000) 4.970 25.556 ( 0.000 -1.090 0.000) 1.090 25.659 ( 0.000 -2.879 0.000) 2.879 ======================= Grid point 20 (14/50) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 23.315 0.000 0.000) 23.315 1.905 ( 22.927 0.000 0.000) 22.927 2.547 ( 1.872 0.000 0.000) 1.872 2.599 ( 1.358 0.000 0.000) 1.358 2.638 ( 26.035 0.000 0.000) 26.035 2.740 ( 12.496 0.000 0.000) 12.496 3.489 ( 18.114 0.000 0.000) 18.114 3.498 ( 9.533 0.000 0.000) 9.533 3.614 ( 4.790 0.000 0.000) 4.790 3.955 ( -6.199 -0.000 0.000) 6.199 3.970 ( 8.755 0.000 0.000) 8.755 4.082 ( 12.848 0.000 0.000) 12.848 4.106 ( 26.781 0.000 0.000) 26.781 4.236 ( -3.062 -0.000 0.000) 3.062 4.323 ( -1.817 -0.000 0.000) 1.817 4.369 ( 11.647 0.000 0.000) 11.647 4.480 ( 10.537 0.000 0.000) 10.537 4.605 ( 32.712 0.000 0.000) 32.712 4.654 ( 5.858 0.000 0.000) 5.858 4.734 ( 40.006 0.000 0.000) 40.006 4.770 ( 17.132 0.000 0.000) 17.132 4.907 ( 15.968 0.000 0.000) 15.968 5.065 ( -2.555 -0.000 0.000) 2.555 5.215 ( -8.429 -0.000 0.000) 8.429 5.371 ( -2.425 -0.000 0.000) 2.425 5.517 ( 3.107 0.000 0.000) 3.107 5.537 ( 8.633 0.000 0.000) 8.633 5.651 ( 1.580 0.000 0.000) 1.580 5.825 ( -10.909 -0.000 0.000) 10.909 5.850 ( -0.129 -0.000 0.000) 0.129 5.902 ( -2.033 -0.000 0.000) 2.033 6.127 ( -3.634 -0.000 0.000) 3.634 6.128 ( -1.849 -0.000 0.000) 1.849 6.206 ( -12.972 -0.000 0.000) 12.972 6.339 ( -2.897 -0.000 0.000) 2.897 6.475 ( 4.014 0.000 0.000) 4.014 6.670 ( -2.657 -0.000 0.000) 2.657 6.761 ( -19.646 -0.000 0.000) 19.646 6.791 ( 3.632 0.000 0.000) 3.632 6.838 ( 1.246 0.000 0.000) 1.246 6.974 ( 7.276 0.000 0.000) 7.276 7.081 ( 1.555 0.000 0.000) 1.555 7.168 ( -21.888 -0.000 0.000) 21.888 7.216 ( -2.063 -0.000 0.000) 2.063 7.513 ( 4.180 0.000 0.000) 4.180 7.546 ( -1.241 -0.000 0.000) 1.241 7.546 ( -11.231 -0.000 0.000) 11.231 7.593 ( -4.379 -0.000 0.000) 4.379 7.892 ( 10.790 0.000 0.000) 10.790 8.076 ( -12.303 -0.000 0.000) 12.303 8.159 ( 3.371 0.000 0.000) 3.371 8.180 ( -7.845 -0.000 0.000) 7.845 8.507 ( -1.073 -0.000 0.000) 1.073 8.590 ( -0.999 -0.000 0.000) 0.999 8.803 ( 6.510 0.000 0.000) 6.510 8.813 ( -10.120 -0.000 0.000) 10.120 9.122 ( 1.123 0.000 0.000) 1.123 9.146 ( 4.033 0.000 0.000) 4.033 9.773 ( -2.602 -0.000 0.000) 2.602 9.806 ( -9.961 -0.000 0.000) 9.961 9.960 ( 19.627 0.000 0.000) 19.627 10.445 ( -6.766 -0.000 0.000) 6.766 10.492 ( 2.138 0.000 0.000) 2.138 10.679 ( -0.451 -0.000 0.000) 0.451 11.735 ( -6.500 -0.000 0.000) 6.500 11.786 ( -6.578 -0.000 0.000) 6.578 11.867 ( -2.642 -0.000 0.000) 2.642 11.976 ( -4.607 -0.000 0.000) 4.607 12.441 ( 0.414 0.000 0.000) 0.414 12.592 ( -3.326 -0.000 0.000) 3.326 12.998 ( 0.507 0.000 0.000) 0.507 13.007 ( -0.873 -0.000 0.000) 0.873 13.610 ( 1.825 0.000 0.000) 1.825 13.701 ( 4.739 0.000 0.000) 4.739 13.793 ( 5.388 0.000 0.000) 5.388 14.002 ( -1.658 -0.000 0.000) 1.658 14.108 ( 0.841 0.000 0.000) 0.841 14.352 ( -0.216 -0.000 0.000) 0.216 14.699 ( -4.897 -0.000 0.000) 4.897 14.709 ( -4.651 -0.000 0.000) 4.651 15.152 ( -0.134 -0.000 0.000) 0.134 15.245 ( -2.534 -0.000 0.000) 2.534 15.534 ( -1.989 -0.000 0.000) 1.989 15.645 ( -5.882 -0.000 0.000) 5.882 15.846 ( 8.738 0.000 0.000) 8.738 15.886 ( 9.351 0.000 0.000) 9.351 17.114 ( 2.081 0.000 0.000) 2.081 17.182 ( 8.954 0.000 0.000) 8.954 17.214 ( 1.000 0.000 0.000) 1.000 17.443 ( 8.517 0.000 0.000) 8.517 18.570 ( 4.800 0.000 0.000) 4.800 18.618 ( 7.489 0.000 0.000) 7.489 19.222 ( -6.647 -0.000 0.000) 6.647 19.266 ( -10.302 -0.000 0.000) 10.302 20.314 ( 8.133 0.000 0.000) 8.133 20.429 ( 8.579 0.000 0.000) 8.579 20.591 ( 4.010 0.000 0.000) 4.010 20.659 ( 4.087 0.000 0.000) 4.087 20.800 ( 6.057 0.000 0.000) 6.057 20.960 ( -0.362 -0.000 0.000) 0.362 21.016 ( 3.020 0.000 0.000) 3.020 21.137 ( -6.186 -0.000 0.000) 6.186 21.482 ( -6.744 -0.000 0.000) 6.744 21.710 ( -0.879 -0.000 0.000) 0.879 21.792 ( 1.736 0.000 0.000) 1.736 21.885 ( 2.980 0.000 0.000) 2.980 23.509 ( 11.904 0.000 0.000) 11.904 23.612 ( -5.020 -0.000 0.000) 5.020 23.960 ( 6.828 0.000 0.000) 6.828 24.309 ( -5.883 -0.000 0.000) 5.883 24.474 ( -3.814 -0.000 0.000) 3.814 24.762 ( -4.404 -0.000 0.000) 4.404 25.294 ( -3.874 -0.000 0.000) 3.874 25.331 ( -4.432 -0.000 0.000) 4.432 ======================= Grid point 21 (15/50) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 14.053 -9.999 0.000) 17.248 2.309 ( 19.065 -7.338 0.000) 20.429 2.513 ( -3.139 1.743 0.000) 3.591 2.558 ( -6.242 -0.029 0.000) 6.242 2.958 ( 13.239 -0.256 0.000) 13.242 3.025 ( 15.967 -0.971 0.000) 15.997 3.473 ( 6.681 20.256 0.000) 21.329 3.644 ( 3.192 5.203 0.000) 6.104 3.814 ( 6.065 -5.531 0.000) 8.208 3.863 ( -1.991 -3.580 0.000) 4.096 3.887 ( -0.760 26.275 0.000) 26.286 4.137 ( 3.135 -1.242 0.000) 3.372 4.197 ( -1.250 0.954 0.000) 1.573 4.405 ( 11.131 12.154 0.000) 16.481 4.452 ( 7.393 -7.501 0.000) 10.532 4.575 ( 13.383 -8.327 0.000) 15.762 4.651 ( -2.010 3.129 0.000) 3.719 4.840 ( 6.920 -17.955 0.000) 19.242 4.953 ( -10.507 -4.445 0.000) 11.409 4.956 ( 6.353 4.217 0.000) 7.626 4.960 ( -11.766 4.145 0.000) 12.475 5.035 ( 14.940 2.500 0.000) 15.147 5.105 ( 6.088 1.129 0.000) 6.192 5.258 ( 20.935 5.822 0.000) 21.729 5.360 ( -3.194 -4.448 0.000) 5.476 5.521 ( 0.217 5.443 0.000) 5.447 5.558 ( -1.251 5.949 0.000) 6.079 5.623 ( -14.084 -1.775 0.000) 14.195 5.720 ( -1.610 -4.839 0.000) 5.099 5.864 ( -4.804 0.511 0.000) 4.831 5.909 ( 3.743 -5.496 0.000) 6.649 5.978 ( -6.880 -5.490 0.000) 8.802 6.067 ( -4.812 -0.168 0.000) 4.815 6.086 ( -9.839 -3.499 0.000) 10.442 6.252 ( -9.454 -0.982 0.000) 9.505 6.419 ( -15.782 -0.007 0.000) 15.782 6.509 ( -4.279 7.917 0.000) 8.999 6.521 ( 0.704 1.184 0.000) 1.377 6.831 ( 0.795 2.284 0.000) 2.418 6.838 ( -4.861 -3.216 0.000) 5.829 6.938 ( -1.965 -0.529 0.000) 2.035 7.065 ( -1.855 3.007 0.000) 3.533 7.098 ( 4.911 0.598 0.000) 4.947 7.192 ( 0.990 -0.972 0.000) 1.388 7.366 ( -8.145 -0.278 0.000) 8.150 7.463 ( -4.647 2.877 0.000) 5.466 7.587 ( 4.299 -1.772 0.000) 4.650 7.623 ( 1.533 -7.082 0.000) 7.246 7.939 ( -3.272 -0.518 0.000) 3.313 7.994 ( -0.440 1.507 0.000) 1.570 8.062 ( -2.735 1.823 0.000) 3.286 8.171 ( -5.161 -2.064 0.000) 5.558 8.463 ( -2.757 3.218 0.000) 4.238 8.538 ( -1.591 5.205 0.000) 5.443 8.693 ( -2.327 -1.062 0.000) 2.558 8.927 ( 8.215 0.447 0.000) 8.227 9.107 ( 0.400 2.555 0.000) 2.586 9.222 ( 3.173 -1.494 0.000) 3.507 9.611 ( -9.407 2.099 0.000) 9.638 9.767 ( -2.123 -3.075 0.000) 3.736 10.295 ( 17.812 -1.522 0.000) 17.877 10.324 ( -7.070 0.493 0.000) 7.088 10.573 ( 7.254 1.143 0.000) 7.343 10.687 ( 0.922 -0.742 0.000) 1.183 11.723 ( 5.145 -0.174 0.000) 5.148 11.777 ( 5.262 -0.534 0.000) 5.289 11.914 ( 7.887 -0.317 0.000) 7.894 11.997 ( 7.135 -0.097 0.000) 7.136 12.443 ( 0.297 0.591 0.000) 0.662 12.572 ( -1.021 -2.544 0.000) 2.742 12.974 ( 0.086 1.363 0.000) 1.366 13.051 ( 0.100 -4.560 0.000) 4.561 13.616 ( -2.711 -1.971 0.000) 3.352 13.774 ( 2.222 -1.922 0.000) 2.938 13.885 ( 4.154 -1.613 0.000) 4.456 13.950 ( -5.937 -1.874 0.000) 6.226 14.101 ( -0.209 2.104 0.000) 2.114 14.299 ( -3.247 3.676 0.000) 4.904 14.609 ( -5.499 -0.114 0.000) 5.500 14.631 ( -5.075 -1.099 0.000) 5.193 15.172 ( 2.234 -0.331 0.000) 2.258 15.232 ( 0.733 -0.290 0.000) 0.789 15.518 ( 2.493 2.613 0.000) 3.612 15.580 ( 0.770 2.693 0.000) 2.801 16.018 ( 7.611 -4.311 0.000) 8.747 16.077 ( 8.040 -5.480 0.000) 9.730 17.101 ( 2.627 7.043 0.000) 7.517 17.213 ( 2.779 5.052 0.000) 5.765 17.337 ( 5.294 -3.610 0.000) 6.408 17.575 ( 5.517 -1.090 0.000) 5.624 18.644 ( 2.832 -1.478 0.000) 3.194 18.757 ( 8.203 -1.122 0.000) 8.279 19.089 ( -6.121 3.683 0.000) 7.143 19.098 ( -7.166 3.515 0.000) 7.982 20.430 ( 3.970 -0.432 0.000) 3.994 20.474 ( -1.289 1.708 0.000) 2.140 20.693 ( 8.345 1.131 0.000) 8.422 20.767 ( 6.409 -2.301 0.000) 6.810 20.846 ( -0.116 -0.437 0.000) 0.453 20.968 ( 0.702 -0.453 0.000) 0.835 21.108 ( 7.805 1.561 0.000) 7.960 21.138 ( 7.035 0.647 0.000) 7.065 21.392 ( -2.603 0.376 0.000) 2.630 21.695 ( -0.976 -0.269 0.000) 1.012 21.827 ( 2.074 -0.128 0.000) 2.078 21.925 ( 2.229 0.895 0.000) 2.402 23.530 ( -0.406 4.851 0.000) 4.868 23.674 ( 6.590 0.469 0.000) 6.606 23.987 ( -2.277 2.384 0.000) 3.296 24.235 ( -6.454 -5.022 0.000) 8.178 24.363 ( -9.097 -0.570 0.000) 9.115 24.664 ( -7.090 -0.653 0.000) 7.120 25.255 ( 0.132 0.209 0.000) 0.247 25.305 ( -0.904 -2.458 0.000) 2.619 ======================= Grid point 22 (16/50) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -12.231 0.496 0.000) 12.241 2.396 ( -10.010 -2.376 0.000) 10.288 2.572 ( 7.175 0.665 0.000) 7.205 2.689 ( 12.599 -8.854 0.000) 15.399 3.076 ( -5.786 10.271 0.000) 11.789 3.139 ( 2.271 8.205 0.000) 8.513 3.316 ( 10.401 9.369 0.000) 13.998 3.492 ( -0.177 21.910 0.000) 21.911 3.681 ( 8.057 10.270 0.000) 13.053 3.744 ( -12.432 3.367 0.000) 12.880 3.859 ( -14.231 5.730 0.000) 15.341 4.152 ( 0.241 -8.273 0.000) 8.276 4.220 ( -6.576 6.694 0.000) 9.384 4.309 ( -12.375 4.300 0.000) 13.101 4.346 ( -6.231 10.150 0.000) 11.910 4.632 ( -19.917 0.563 0.000) 19.925 4.635 ( -9.901 2.934 0.000) 10.327 4.709 ( 3.141 -7.703 0.000) 8.319 4.841 ( -1.999 2.397 0.000) 3.122 4.927 ( -0.295 7.735 0.000) 7.740 5.041 ( -14.733 6.708 0.000) 16.188 5.068 ( -0.713 3.759 0.000) 3.826 5.234 ( 6.695 -9.095 0.000) 11.293 5.297 ( 9.798 11.176 0.000) 14.862 5.373 ( -0.661 -0.589 0.000) 0.886 5.434 ( -4.119 6.801 0.000) 7.951 5.459 ( 0.416 -0.948 0.000) 1.035 5.497 ( -6.097 -14.152 0.000) 15.410 5.602 ( -15.106 1.084 0.000) 15.145 5.698 ( -6.383 -2.785 0.000) 6.964 5.883 ( -8.102 -0.161 0.000) 8.104 5.994 ( 0.666 -1.253 0.000) 1.419 6.094 ( -0.246 -3.505 0.000) 3.514 6.123 ( -1.272 -13.451 0.000) 13.511 6.238 ( 9.414 0.122 0.000) 9.415 6.257 ( -2.879 6.303 0.000) 6.930 6.448 ( 4.037 4.871 0.000) 6.326 6.488 ( -0.154 2.818 0.000) 2.822 6.720 ( -6.363 1.423 0.000) 6.520 6.862 ( 2.775 -2.114 0.000) 3.489 6.983 ( -1.811 -4.050 0.000) 4.436 7.006 ( -0.032 0.200 0.000) 0.202 7.119 ( 0.969 -2.519 0.000) 2.699 7.262 ( -6.866 -0.753 0.000) 6.907 7.316 ( 7.418 -2.751 0.000) 7.912 7.348 ( -6.169 0.820 0.000) 6.223 7.691 ( 3.457 -0.989 0.000) 3.595 7.767 ( 5.065 -5.476 0.000) 7.459 7.868 ( -10.312 0.040 0.000) 10.312 7.925 ( 0.074 0.356 0.000) 0.364 7.970 ( -8.487 2.064 0.000) 8.734 8.120 ( -2.949 -5.256 0.000) 6.027 8.357 ( -2.849 3.894 0.000) 4.825 8.408 ( -2.985 8.835 0.000) 9.326 8.743 ( 5.038 -0.369 0.000) 5.051 9.076 ( 9.435 -0.746 0.000) 9.464 9.081 ( 0.821 3.323 0.000) 3.423 9.303 ( 3.430 -1.632 0.000) 3.798 9.451 ( -8.228 -2.170 0.000) 8.509 9.783 ( -0.304 -2.581 0.000) 2.599 10.192 ( -6.815 1.750 0.000) 7.036 10.574 ( 13.799 -0.095 0.000) 13.799 10.648 ( 3.830 2.814 0.000) 4.752 10.751 ( 5.689 -0.475 0.000) 5.709 11.902 ( 15.100 -0.385 0.000) 15.105 11.966 ( 15.643 -0.826 0.000) 15.665 12.123 ( 15.767 0.057 0.000) 15.767 12.205 ( 16.784 -0.033 0.000) 16.784 12.444 ( 0.922 0.433 0.000) 1.018 12.608 ( 0.253 -3.857 0.000) 3.866 12.966 ( 0.030 0.248 0.000) 0.250 13.117 ( 0.393 -5.300 0.000) 5.314 13.562 ( -7.246 -2.638 0.000) 7.711 13.805 ( -2.548 -2.549 0.000) 3.604 13.846 ( -9.900 -2.799 0.000) 10.288 13.965 ( 2.178 -2.378 0.000) 3.225 14.051 ( -0.631 4.444 0.000) 4.489 14.169 ( -5.200 5.113 0.000) 7.293 14.536 ( -4.261 -1.937 0.000) 4.680 14.573 ( -4.397 -2.600 0.000) 5.108 15.231 ( 3.543 -1.041 0.000) 3.693 15.271 ( 2.430 -1.184 0.000) 2.703 15.559 ( 7.204 3.839 0.000) 8.163 15.604 ( 6.210 3.229 0.000) 6.999 16.184 ( 5.098 -4.539 0.000) 6.826 16.267 ( 5.641 -6.149 0.000) 8.344 17.037 ( 2.332 9.794 0.000) 10.068 17.189 ( 4.246 8.110 0.000) 9.154 17.424 ( 1.459 -0.564 0.000) 1.564 17.636 ( 1.483 1.122 0.000) 1.860 18.699 ( 0.260 -3.196 0.000) 3.206 18.907 ( 4.588 0.338 0.000) 4.601 18.935 ( -4.986 5.871 0.000) 7.703 18.947 ( -1.774 2.891 0.000) 3.392 20.382 ( -6.208 2.039 0.000) 6.534 20.396 ( -6.735 1.443 0.000) 6.888 20.841 ( 12.636 2.532 0.000) 12.888 20.916 ( 8.875 -0.885 0.000) 8.919 20.919 ( 7.388 -0.042 0.000) 7.388 21.001 ( 3.301 -0.551 0.000) 3.347 21.163 ( 3.810 5.299 0.000) 6.527 21.269 ( 8.703 1.822 0.000) 8.892 21.443 ( 6.792 -2.148 0.000) 7.124 21.683 ( -1.148 -0.477 0.000) 1.243 21.854 ( 1.115 0.721 0.000) 1.328 21.935 ( 1.253 2.193 0.000) 2.526 23.422 ( -4.263 8.041 0.000) 9.101 23.732 ( 2.314 2.226 0.000) 3.211 23.833 ( -10.503 4.050 0.000) 11.257 24.206 ( -11.784 -2.910 0.000) 12.138 24.232 ( -3.832 -8.938 0.000) 9.725 24.565 ( -6.329 -2.370 0.000) 6.758 25.295 ( 3.357 -1.368 0.000) 3.625 25.349 ( 1.849 -3.013 0.000) 3.535 ======================= Grid point 23 (17/50) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -17.603 -0.035 0.000) 17.603 2.246 ( -11.764 -1.587 0.000) 11.871 2.570 ( 0.068 11.582 0.000) 11.582 2.594 ( -13.235 25.671 0.000) 28.882 2.908 ( 1.561 18.871 0.000) 18.936 2.978 ( 5.782 -3.483 0.000) 6.750 3.154 ( -41.967 10.435 0.000) 43.245 3.273 ( -1.276 15.558 0.000) 15.610 3.355 ( -20.010 4.142 0.000) 20.434 3.458 ( -37.954 15.523 0.000) 41.005 3.648 ( 2.169 -11.735 0.000) 11.933 3.801 ( -0.411 1.654 0.000) 1.705 3.969 ( -15.008 14.696 0.000) 21.005 4.028 ( -24.240 7.188 0.000) 25.284 4.346 ( -2.964 8.298 0.000) 8.812 4.350 ( 5.558 -7.605 0.000) 9.419 4.469 ( -9.356 25.522 0.000) 27.183 4.574 ( -2.557 10.593 0.000) 10.897 4.641 ( -5.266 6.757 0.000) 8.566 4.816 ( -1.631 6.208 0.000) 6.419 4.937 ( 5.922 -4.417 0.000) 7.388 5.003 ( -1.980 1.832 0.000) 2.698 5.225 ( -5.848 12.845 0.000) 14.114 5.266 ( -0.792 7.067 0.000) 7.112 5.349 ( -1.056 0.230 0.000) 1.081 5.369 ( -8.965 4.387 0.000) 9.980 5.489 ( 3.446 0.524 0.000) 3.486 5.520 ( 8.119 -10.496 0.000) 13.269 5.672 ( -1.768 -5.065 0.000) 5.365 5.717 ( 0.750 -12.202 0.000) 12.225 5.794 ( -2.281 -4.351 0.000) 4.912 6.004 ( -0.005 1.635 0.000) 1.635 6.100 ( -0.988 0.792 0.000) 1.266 6.102 ( -4.182 4.525 0.000) 6.161 6.290 ( 1.979 -8.960 0.000) 9.176 6.354 ( 7.530 4.857 0.000) 8.961 6.486 ( 4.270 2.265 0.000) 4.834 6.488 ( 0.588 -2.767 0.000) 2.829 6.663 ( -2.328 -4.910 0.000) 5.433 6.905 ( 0.763 -0.148 0.000) 0.777 6.947 ( -4.119 0.148 0.000) 4.121 7.100 ( 3.318 -5.119 0.000) 6.101 7.133 ( -7.524 -1.005 0.000) 7.591 7.169 ( -3.582 -2.154 0.000) 4.179 7.273 ( -0.802 -3.604 0.000) 3.692 7.466 ( 4.180 -4.256 0.000) 5.965 7.553 ( -13.804 1.774 0.000) 13.917 7.732 ( -13.887 1.148 0.000) 13.934 7.831 ( -0.340 -2.584 0.000) 2.606 7.908 ( 2.295 6.487 0.000) 6.881 7.922 ( 5.306 -2.912 0.000) 6.053 8.162 ( 0.108 0.317 0.000) 0.335 8.266 ( -2.209 2.789 0.000) 3.558 8.311 ( -1.422 -2.854 0.000) 3.189 8.832 ( 5.996 1.320 0.000) 6.139 9.060 ( 1.532 2.743 0.000) 3.142 9.262 ( 9.537 -3.351 0.000) 10.109 9.278 ( -5.546 -1.213 0.000) 5.677 9.495 ( 3.492 -7.476 0.000) 8.251 9.814 ( 0.104 -2.490 0.000) 2.493 10.051 ( -6.008 4.017 0.000) 7.227 10.658 ( 2.096 3.028 0.000) 3.682 10.756 ( 9.136 1.826 0.000) 9.317 10.844 ( 5.450 1.560 0.000) 5.669 12.205 ( 18.829 -0.424 0.000) 18.834 12.295 ( 21.469 -0.844 0.000) 21.486 12.351 ( 8.463 1.498 0.000) 8.595 12.523 ( 20.052 0.248 0.000) 20.054 12.526 ( 11.466 -1.784 0.000) 11.604 12.667 ( 2.018 -2.647 0.000) 3.329 12.965 ( 0.138 0.177 0.000) 0.224 13.181 ( -0.331 -4.147 0.000) 4.160 13.433 ( -11.617 -1.899 0.000) 11.771 13.687 ( -13.282 -2.977 0.000) 13.611 13.734 ( -8.321 -0.643 0.000) 8.346 13.985 ( -0.375 4.694 0.000) 4.709 14.007 ( -2.997 -3.202 0.000) 4.386 14.019 ( -3.413 4.757 0.000) 5.855 14.524 ( -1.940 -4.715 0.000) 5.098 14.557 ( -2.549 -4.609 0.000) 5.266 15.305 ( 2.947 -1.562 0.000) 3.335 15.329 ( 1.939 -1.789 0.000) 2.638 15.662 ( 11.004 4.505 0.000) 11.891 15.701 ( 9.960 3.315 0.000) 10.497 16.277 ( 1.485 -0.512 0.000) 1.571 16.408 ( 2.944 -4.724 0.000) 5.567 16.949 ( 1.841 9.536 0.000) 9.712 17.158 ( 4.732 9.078 0.000) 10.237 17.389 ( -2.626 4.749 0.000) 5.427 17.592 ( -2.310 4.715 0.000) 5.250 18.722 ( -2.255 -0.688 0.000) 2.358 18.781 ( -3.040 7.619 0.000) 8.203 18.798 ( -3.125 2.287 0.000) 3.873 19.089 ( 6.194 -5.525 0.000) 8.300 20.237 ( -7.766 2.565 0.000) 8.178 20.238 ( -6.938 2.336 0.000) 7.321 20.991 ( 1.624 -0.329 0.000) 1.657 21.045 ( 15.419 3.439 0.000) 15.798 21.083 ( 11.160 1.500 0.000) 11.261 21.137 ( 12.590 2.891 0.000) 12.918 21.171 ( 7.247 6.425 0.000) 9.685 21.364 ( 6.286 3.057 0.000) 6.990 21.587 ( 4.651 -2.534 0.000) 5.297 21.666 ( -1.180 -0.493 0.000) 1.279 21.825 ( -2.090 3.224 0.000) 3.842 21.918 ( 0.052 2.293 0.000) 2.294 23.170 ( -11.574 10.896 0.000) 15.896 23.573 ( -13.647 3.529 0.000) 14.096 23.702 ( -3.789 0.224 0.000) 3.796 24.056 ( -11.759 -5.460 0.000) 12.965 24.318 ( 0.478 -8.732 0.000) 8.745 24.524 ( -2.386 -3.069 0.000) 3.888 25.382 ( 3.778 -2.320 0.000) 4.434 25.431 ( 3.080 -3.050 0.000) 4.335 ======================= Grid point 24 (18/50) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -24.035 3.583 0.000) 24.300 1.950 ( -23.207 3.739 0.000) 23.506 2.027 ( -9.236 32.531 0.000) 33.817 2.306 ( -3.608 18.355 0.000) 18.706 2.393 ( -18.892 11.545 0.000) 22.140 2.528 ( -39.853 17.853 0.000) 43.669 2.836 ( -2.830 3.905 0.000) 4.823 2.922 ( -16.439 -0.047 0.000) 16.439 3.033 ( -0.170 13.781 0.000) 13.782 3.079 ( 0.668 5.092 0.000) 5.135 3.389 ( -21.457 11.899 0.000) 24.535 3.514 ( -7.973 23.619 0.000) 24.929 3.780 ( -3.391 30.682 0.000) 30.869 3.939 ( -1.425 0.967 0.000) 1.722 3.999 ( 4.048 -1.021 0.000) 4.175 4.133 ( -3.661 9.871 0.000) 10.528 4.381 ( -1.139 12.470 0.000) 12.521 4.499 ( 0.480 12.072 0.000) 12.081 4.624 ( 2.072 -12.740 0.000) 12.908 4.721 ( 1.813 11.742 0.000) 11.881 4.886 ( -1.930 6.626 0.000) 6.901 4.953 ( -5.158 11.323 0.000) 12.442 5.029 ( -0.414 10.405 0.000) 10.413 5.140 ( -4.030 4.494 0.000) 6.036 5.245 ( -3.246 -6.240 0.000) 7.034 5.349 ( 2.498 3.515 0.000) 4.313 5.506 ( -1.033 -0.300 0.000) 1.076 5.611 ( 1.414 1.294 0.000) 1.917 5.752 ( 1.821 5.988 0.000) 6.259 5.756 ( 4.781 0.226 0.000) 4.786 5.955 ( 1.303 -9.706 0.000) 9.793 6.008 ( 1.123 3.464 0.000) 3.642 6.032 ( -6.106 -2.367 0.000) 6.549 6.076 ( -1.698 -19.215 0.000) 19.290 6.351 ( -0.588 7.269 0.000) 7.292 6.402 ( -0.157 -6.207 0.000) 6.209 6.559 ( 7.902 0.948 0.000) 7.959 6.563 ( 1.930 -4.590 0.000) 4.979 6.730 ( -0.129 -6.837 0.000) 6.838 6.866 ( -3.976 1.146 0.000) 4.138 6.878 ( -4.169 3.184 0.000) 5.246 6.999 ( -3.093 -0.265 0.000) 3.104 7.091 ( -3.407 1.167 0.000) 3.601 7.257 ( 1.233 -8.592 0.000) 8.680 7.340 ( -1.837 -3.965 0.000) 4.370 7.365 ( -7.415 -3.707 0.000) 8.290 7.485 ( -7.267 -3.649 0.000) 8.131 7.581 ( -1.639 -2.625 0.000) 3.094 7.763 ( -1.378 9.801 0.000) 9.898 7.895 ( 1.121 0.945 0.000) 1.466 8.032 ( 3.006 -0.571 0.000) 3.060 8.068 ( 0.863 8.531 0.000) 8.575 8.297 ( -1.019 -6.656 0.000) 6.734 8.359 ( -0.570 -6.354 0.000) 6.379 8.907 ( 4.272 0.851 0.000) 4.356 9.069 ( 1.940 0.900 0.000) 2.138 9.238 ( -3.194 -5.147 0.000) 6.058 9.464 ( 7.749 -5.159 0.000) 9.310 9.655 ( 3.417 -7.760 0.000) 8.479 9.844 ( -0.240 -2.359 0.000) 2.371 9.882 ( -5.295 8.488 0.000) 10.004 10.647 ( 1.213 3.159 0.000) 3.384 10.838 ( 4.473 3.168 0.000) 5.482 10.885 ( 2.712 2.968 0.000) 4.020 12.351 ( 1.227 1.254 0.000) 1.754 12.577 ( 18.991 0.822 0.000) 19.009 12.673 ( 21.490 -0.113 0.000) 21.491 12.702 ( 1.781 -4.472 0.000) 4.813 12.816 ( 13.044 1.392 0.000) 13.118 12.831 ( 16.440 0.817 0.000) 16.461 12.989 ( 5.004 -0.183 0.000) 5.008 13.174 ( -5.035 -0.338 0.000) 5.046 13.222 ( -15.269 -0.802 0.000) 15.290 13.484 ( -14.733 -2.972 0.000) 15.030 13.558 ( -10.802 1.955 0.000) 10.978 13.899 ( -5.131 -0.863 0.000) 5.203 13.922 ( -0.851 3.615 0.000) 3.714 14.008 ( -1.174 -0.431 0.000) 1.250 14.583 ( -0.172 -7.478 0.000) 7.480 14.606 ( -0.458 -7.413 0.000) 7.427 15.360 ( 1.316 -1.506 0.000) 2.000 15.372 ( 0.569 -1.670 0.000) 1.764 15.803 ( 11.896 4.460 0.000) 12.705 15.838 ( 9.723 2.421 0.000) 10.020 16.218 ( -3.321 8.453 0.000) 9.082 16.482 ( 0.890 -2.290 0.000) 2.457 16.881 ( 1.036 5.286 0.000) 5.387 17.120 ( 2.956 7.830 0.000) 8.370 17.231 ( -4.436 9.798 0.000) 10.756 17.453 ( -3.943 8.410 0.000) 9.288 18.617 ( -1.953 7.483 0.000) 7.733 18.646 ( -1.375 8.121 0.000) 8.236 18.813 ( -1.986 -7.927 0.000) 8.172 19.261 ( 3.540 -8.748 0.000) 9.437 20.098 ( -4.235 3.280 0.000) 5.357 20.119 ( -3.342 1.975 0.000) 3.882 21.010 ( 0.424 -0.072 0.000) 0.430 21.221 ( 12.186 6.605 0.000) 13.861 21.250 ( 13.280 8.022 0.000) 15.515 21.276 ( 11.546 5.221 0.000) 12.671 21.287 ( 11.484 1.953 0.000) 11.649 21.423 ( 4.728 1.256 0.000) 4.892 21.575 ( -6.117 0.443 0.000) 6.133 21.694 ( -0.095 -1.954 0.000) 1.957 21.700 ( -6.849 4.791 0.000) 8.359 21.874 ( -2.059 1.842 0.000) 2.763 22.794 ( -13.351 14.031 0.000) 19.368 23.332 ( -9.861 1.863 0.000) 10.036 23.617 ( -6.440 -1.526 0.000) 6.618 23.966 ( -7.780 -7.334 0.000) 10.692 24.440 ( 1.516 -7.441 0.000) 7.594 24.552 ( 0.837 -3.024 0.000) 3.138 25.466 ( 2.379 -2.539 0.000) 3.479 25.517 ( 2.374 -3.138 0.000) 3.935 ======================= Grid point 25 (19/50) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.000 20.725 0.000) 20.725 1.527 ( -0.000 34.527 0.000) 34.527 1.751 ( -0.000 0.616 0.000) 0.616 1.891 ( -0.000 20.966 0.000) 20.966 2.066 ( -0.000 13.897 0.000) 13.897 2.206 ( -0.000 1.218 0.000) 1.218 2.647 ( -0.000 4.047 0.000) 4.047 2.750 ( -0.000 26.329 0.000) 26.329 2.857 ( -0.000 19.610 0.000) 19.610 3.017 ( -0.000 17.553 0.000) 17.553 3.090 ( 0.000 -1.933 0.000) 1.933 3.125 ( -0.000 26.561 0.000) 26.561 3.250 ( -0.000 22.604 0.000) 22.604 3.852 ( -0.000 13.376 0.000) 13.376 4.051 ( 0.000 -7.730 0.000) 7.730 4.178 ( 0.000 -6.106 0.000) 6.106 4.180 ( -0.000 15.690 0.000) 15.690 4.330 ( -0.000 14.786 0.000) 14.786 4.520 ( -0.000 20.489 0.000) 20.489 4.756 ( -0.000 8.290 0.000) 8.290 4.816 ( 0.000 -10.295 0.000) 10.295 4.824 ( -0.000 4.567 0.000) 4.567 4.832 ( -0.000 16.116 0.000) 16.116 5.050 ( -0.000 4.205 0.000) 4.205 5.277 ( -0.000 0.214 0.000) 0.214 5.336 ( -0.000 0.428 0.000) 0.428 5.496 ( 0.000 -1.140 0.000) 1.140 5.647 ( -0.000 8.364 0.000) 8.364 5.657 ( 0.000 -7.307 0.000) 7.307 5.864 ( -0.000 3.569 0.000) 3.569 5.916 ( 0.000 -5.843 0.000) 5.843 5.959 ( -0.000 5.096 0.000) 5.096 6.126 ( 0.000 -8.830 0.000) 8.830 6.219 ( -0.000 9.289 0.000) 9.289 6.356 ( 0.000 -20.458 0.000) 20.458 6.448 ( 0.000 -4.512 0.000) 4.512 6.636 ( -0.000 1.231 0.000) 1.231 6.649 ( 0.000 -4.320 0.000) 4.320 6.747 ( -0.000 4.841 0.000) 4.841 6.765 ( 0.000 -0.662 0.000) 0.662 6.839 ( 0.000 -3.374 0.000) 3.374 7.030 ( 0.000 -5.993 0.000) 5.993 7.064 ( 0.000 -1.842 0.000) 1.842 7.312 ( 0.000 -0.844 0.000) 0.844 7.332 ( 0.000 -4.430 0.000) 4.430 7.418 ( 0.000 -9.942 0.000) 9.942 7.518 ( 0.000 -7.188 0.000) 7.188 7.587 ( 0.000 -0.507 0.000) 0.507 7.604 ( -0.000 12.514 0.000) 12.514 7.895 ( -0.000 0.019 0.000) 0.019 7.931 ( -0.000 10.146 0.000) 10.146 8.106 ( 0.000 -2.513 0.000) 2.513 8.371 ( 0.000 -7.295 0.000) 7.295 8.431 ( 0.000 -5.769 0.000) 5.769 8.941 ( -0.000 0.127 0.000) 0.127 9.085 ( 0.000 -0.137 0.000) 0.137 9.299 ( 0.000 -7.783 0.000) 7.783 9.626 ( 0.000 -6.872 0.000) 6.872 9.661 ( -0.000 17.047 0.000) 17.047 9.779 ( 0.000 -6.976 0.000) 6.976 9.864 ( 0.000 -1.625 0.000) 1.625 10.619 ( -0.000 3.178 0.000) 3.178 10.832 ( -0.000 3.616 0.000) 3.616 10.865 ( -0.000 3.475 0.000) 3.475 12.343 ( -0.000 1.017 0.000) 1.017 12.688 ( -0.000 2.719 0.000) 2.719 12.854 ( -0.000 2.611 0.000) 2.611 12.914 ( -0.000 0.263 0.000) 0.263 12.935 ( 0.000 -2.278 0.000) 2.278 12.981 ( -0.000 3.474 0.000) 3.474 13.005 ( -0.000 0.376 0.000) 0.376 13.047 ( 0.000 -0.830 0.000) 0.830 13.123 ( 0.000 -0.625 0.000) 0.625 13.335 ( 0.000 -1.753 0.000) 1.753 13.392 ( -0.000 4.107 0.000) 4.107 13.881 ( -0.000 1.144 0.000) 1.144 13.881 ( 0.000 -2.865 0.000) 2.865 14.003 ( 0.000 -1.360 0.000) 1.360 14.690 ( 0.000 -9.318 0.000) 9.318 14.712 ( 0.000 -9.592 0.000) 9.592 15.387 ( 0.000 -1.287 0.000) 1.287 15.393 ( 0.000 -1.370 0.000) 1.370 15.915 ( -0.000 1.206 0.000) 1.206 15.916 ( -0.000 1.189 0.000) 1.189 15.972 ( -0.000 19.104 0.000) 19.104 16.500 ( -0.000 0.566 0.000) 0.566 16.831 ( -0.000 5.379 0.000) 5.379 17.057 ( -0.000 6.085 0.000) 6.085 17.062 ( -0.000 8.502 0.000) 8.502 17.299 ( -0.000 8.932 0.000) 8.932 18.507 ( -0.000 7.396 0.000) 7.396 18.536 ( -0.000 7.766 0.000) 7.766 18.909 ( 0.000 -10.488 0.000) 10.488 19.412 ( 0.000 -10.503 0.000) 10.503 20.016 ( -0.000 4.271 0.000) 4.271 20.085 ( 0.000 -0.383 0.000) 0.383 20.999 ( -0.000 3.146 0.000) 3.146 21.206 ( -0.000 10.943 0.000) 10.943 21.363 ( -0.000 5.513 0.000) 5.513 21.386 ( -0.000 1.315 0.000) 1.315 21.421 ( -0.000 1.062 0.000) 1.062 21.431 ( -0.000 1.332 0.000) 1.332 21.462 ( -0.000 1.070 0.000) 1.070 21.505 ( -0.000 5.686 0.000) 5.686 21.685 ( 0.000 -0.676 0.000) 0.676 21.836 ( -0.000 0.299 0.000) 0.299 22.460 ( -0.000 17.109 0.000) 17.109 23.231 ( -0.000 0.439 0.000) 0.439 23.567 ( 0.000 -1.424 0.000) 1.424 23.992 ( 0.000 -7.740 0.000) 7.740 24.531 ( 0.000 -4.624 0.000) 4.624 24.611 ( 0.000 -4.540 0.000) 4.540 25.517 ( 0.000 -2.139 0.000) 2.139 25.579 ( 0.000 -3.352 0.000) 3.352 ======================= Grid point 30 (20/50) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -4.092 -0.000 0.000) 4.092 2.375 ( -14.629 -0.000 0.000) 14.629 2.561 ( 9.476 0.000 0.000) 9.476 2.563 ( 16.096 0.000 0.000) 16.096 3.146 ( 8.344 0.000 0.000) 8.344 3.180 ( 2.237 0.000 0.000) 2.237 3.653 ( -6.200 -0.000 0.000) 6.200 3.822 ( 11.771 0.000 0.000) 11.771 3.832 ( 3.814 0.000 0.000) 3.814 3.892 ( 5.743 0.000 0.000) 5.743 4.062 ( -17.383 -0.000 0.000) 17.383 4.092 ( -8.164 -0.000 0.000) 8.164 4.191 ( 1.314 0.000 0.000) 1.314 4.256 ( 3.150 0.000 0.000) 3.150 4.439 ( -18.906 -0.000 0.000) 18.906 4.530 ( -19.244 -0.000 0.000) 19.244 4.570 ( -28.055 -0.000 0.000) 28.055 4.707 ( -7.935 -0.000 0.000) 7.935 4.891 ( 16.037 0.000 0.000) 16.037 4.953 ( 12.492 0.000 0.000) 12.492 5.083 ( 4.817 0.000 0.000) 4.817 5.162 ( -14.178 -0.000 0.000) 14.178 5.169 ( 0.880 0.000 0.000) 0.880 5.186 ( -1.641 -0.000 0.000) 1.641 5.389 ( -9.668 -0.000 0.000) 9.668 5.514 ( -14.194 -0.000 0.000) 14.194 5.531 ( -3.417 -0.000 0.000) 3.417 5.538 ( 3.061 0.000 0.000) 3.061 5.611 ( 0.540 0.000 0.000) 0.540 5.683 ( -4.662 -0.000 0.000) 4.662 5.851 ( -9.178 -0.000 0.000) 9.178 5.941 ( -3.869 -0.000 0.000) 3.869 5.948 ( 6.874 0.000 0.000) 6.874 5.981 ( 3.624 0.000 0.000) 3.624 6.222 ( 6.497 0.000 0.000) 6.497 6.339 ( 2.959 0.000 0.000) 2.959 6.544 ( -0.035 -0.000 0.000) 0.035 6.558 ( 2.912 0.000 0.000) 2.912 6.755 ( -4.225 -0.000 0.000) 4.225 6.832 ( -1.269 -0.000 0.000) 1.269 6.932 ( 0.714 0.000 0.000) 0.714 7.043 ( -3.281 -0.000 0.000) 3.281 7.081 ( -4.508 -0.000 0.000) 4.508 7.235 ( -6.145 -0.000 0.000) 6.145 7.273 ( 6.845 0.000 0.000) 6.845 7.366 ( -8.378 -0.000 0.000) 8.378 7.662 ( 7.864 0.000 0.000) 7.864 7.668 ( 6.699 0.000 0.000) 6.699 7.881 ( -13.862 -0.000 0.000) 13.862 7.909 ( 0.478 0.000 0.000) 0.478 8.014 ( -12.434 -0.000 0.000) 12.434 8.039 ( -0.131 -0.000 0.000) 0.131 8.457 ( -2.401 -0.000 0.000) 2.401 8.548 ( -2.055 -0.000 0.000) 2.055 8.708 ( 5.471 0.000 0.000) 5.471 9.065 ( 7.645 0.000 0.000) 7.645 9.121 ( 0.696 0.000 0.000) 0.696 9.267 ( 2.902 0.000 0.000) 2.902 9.431 ( -11.861 -0.000 0.000) 11.861 9.744 ( 0.590 0.000 0.000) 0.590 10.213 ( -6.400 -0.000 0.000) 6.400 10.573 ( 15.410 0.000 0.000) 15.410 10.701 ( 1.476 0.000 0.000) 1.476 10.731 ( 9.381 0.000 0.000) 9.381 11.897 ( 15.101 0.000 0.000) 15.101 11.955 ( 15.711 0.000 0.000) 15.711 12.119 ( 15.741 0.000 0.000) 15.741 12.203 ( 16.693 0.000 0.000) 16.693 12.452 ( 0.131 0.000 0.000) 0.131 12.552 ( 0.998 0.000 0.000) 0.998 12.981 ( -0.691 -0.000 0.000) 0.691 13.029 ( 1.191 0.000 0.000) 1.191 13.524 ( -6.756 -0.000 0.000) 6.756 13.769 ( -1.812 -0.000 0.000) 1.812 13.806 ( -9.767 -0.000 0.000) 9.767 13.929 ( 2.071 0.000 0.000) 2.071 14.112 ( -0.059 -0.000 0.000) 0.059 14.250 ( -5.180 -0.000 0.000) 5.180 14.511 ( -5.545 -0.000 0.000) 5.545 14.534 ( -5.120 -0.000 0.000) 5.120 15.219 ( 3.364 0.000 0.000) 3.364 15.256 ( 2.193 0.000 0.000) 2.193 15.611 ( 6.752 0.000 0.000) 6.752 15.649 ( 5.527 0.000 0.000) 5.527 16.115 ( 6.647 0.000 0.000) 6.647 16.180 ( 7.427 0.000 0.000) 7.427 17.194 ( 2.531 0.000 0.000) 2.531 17.299 ( 3.676 0.000 0.000) 3.676 17.388 ( 3.402 0.000 0.000) 3.402 17.644 ( 3.047 0.000 0.000) 3.047 18.660 ( 0.160 0.000 0.000) 0.160 18.885 ( 7.562 0.000 0.000) 7.562 19.015 ( -5.234 -0.000 0.000) 5.234 19.016 ( -5.201 -0.000 0.000) 5.201 20.410 ( -6.659 -0.000 0.000) 6.659 20.412 ( -6.008 -0.000 0.000) 6.008 20.878 ( 11.098 0.000 0.000) 11.098 20.902 ( 10.639 0.000 0.000) 10.639 20.916 ( 10.165 0.000 0.000) 10.165 20.992 ( 3.199 0.000 0.000) 3.199 21.232 ( 4.767 0.000 0.000) 4.767 21.290 ( 9.178 0.000 0.000) 9.178 21.417 ( 5.769 0.000 0.000) 5.769 21.675 ( -1.167 -0.000 0.000) 1.167 21.862 ( 1.995 0.000 0.000) 1.995 21.967 ( 1.829 0.000 0.000) 1.829 23.555 ( -0.665 -0.000 0.000) 0.665 23.765 ( 0.555 0.000 0.000) 0.555 23.899 ( -9.897 -0.000 0.000) 9.897 24.091 ( -4.002 -0.000 0.000) 4.002 24.162 ( -13.509 -0.000 0.000) 13.509 24.526 ( -7.728 -0.000 0.000) 7.728 25.290 ( 3.268 0.000 0.000) 3.268 25.292 ( 1.515 0.000 0.000) 1.515 ======================= Grid point 31 (21/50) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -18.307 -0.101 0.000) 18.307 2.210 ( -10.562 -1.027 0.000) 10.612 2.720 ( 7.610 1.748 0.000) 7.808 2.815 ( 10.337 -2.477 0.000) 10.629 3.108 ( -4.190 8.226 0.000) 9.232 3.196 ( -3.747 1.154 0.000) 3.920 3.332 ( -34.185 3.698 0.000) 34.385 3.570 ( -21.366 3.385 0.000) 21.633 3.691 ( -23.565 15.518 0.000) 28.215 3.747 ( 1.352 26.879 0.000) 26.913 3.853 ( -22.117 15.917 0.000) 27.249 3.934 ( 3.626 8.478 0.000) 9.221 4.019 ( 0.671 -10.884 0.000) 10.905 4.065 ( -31.519 -2.497 0.000) 31.618 4.207 ( -7.588 -1.844 0.000) 7.809 4.352 ( 6.245 -9.952 0.000) 11.749 4.548 ( 1.529 -12.401 0.000) 12.495 4.632 ( 1.444 3.353 0.000) 3.651 4.960 ( -6.602 1.066 0.000) 6.688 4.974 ( -1.490 6.484 0.000) 6.653 5.008 ( -2.960 2.310 0.000) 3.754 5.088 ( -3.511 4.659 0.000) 5.834 5.169 ( -1.236 -6.882 0.000) 6.992 5.214 ( -0.316 -5.179 0.000) 5.189 5.307 ( -3.968 -3.617 0.000) 5.369 5.390 ( -3.951 -2.211 0.000) 4.527 5.435 ( -2.695 4.317 0.000) 5.090 5.531 ( 1.021 -1.775 0.000) 2.048 5.557 ( -0.080 10.322 0.000) 10.323 5.676 ( 2.870 1.531 0.000) 3.253 5.860 ( 0.307 -11.280 0.000) 11.284 5.913 ( 6.062 7.595 0.000) 9.718 6.083 ( 4.975 -3.036 0.000) 5.829 6.113 ( 6.877 -0.804 0.000) 6.924 6.372 ( 4.111 8.135 0.000) 9.115 6.392 ( 9.986 -2.779 0.000) 10.365 6.499 ( -3.061 1.665 0.000) 3.484 6.584 ( 3.242 6.617 0.000) 7.369 6.659 ( -3.566 2.306 0.000) 4.247 6.848 ( 0.839 -4.415 0.000) 4.494 6.925 ( -1.728 -0.240 0.000) 1.744 6.988 ( -1.749 -0.301 0.000) 1.775 7.061 ( -1.999 -6.909 0.000) 7.192 7.153 ( -4.840 -0.041 0.000) 4.840 7.221 ( -7.841 0.188 0.000) 7.843 7.381 ( 3.892 -2.403 0.000) 4.575 7.588 ( -18.190 0.986 0.000) 18.217 7.757 ( -16.021 0.706 0.000) 16.036 7.784 ( 4.433 -1.090 0.000) 4.565 7.833 ( 8.181 -3.361 0.000) 8.845 7.954 ( 4.237 -1.049 0.000) 4.365 8.076 ( 2.641 -1.810 0.000) 3.202 8.369 ( -3.771 4.707 0.000) 6.031 8.461 ( -3.282 6.013 0.000) 6.851 8.828 ( 6.092 -1.343 0.000) 6.239 9.126 ( 0.923 2.411 0.000) 2.582 9.190 ( 6.273 -1.786 0.000) 6.522 9.250 ( -10.130 -1.438 0.000) 10.232 9.338 ( 3.034 -4.188 0.000) 5.172 9.765 ( 0.692 -1.181 0.000) 1.369 10.111 ( -4.903 1.171 0.000) 5.041 10.718 ( 1.705 1.500 0.000) 2.271 10.789 ( 10.617 0.765 0.000) 10.644 10.873 ( 7.338 0.660 0.000) 7.367 12.198 ( 19.524 -0.108 0.000) 19.524 12.277 ( 21.423 -0.474 0.000) 21.428 12.373 ( 10.408 0.287 0.000) 10.412 12.467 ( 2.473 -1.995 0.000) 3.177 12.522 ( 19.950 -0.220 0.000) 19.952 12.623 ( 8.186 -0.731 0.000) 8.219 12.968 ( -0.246 0.238 0.000) 0.343 13.071 ( 0.886 -3.299 0.000) 3.416 13.386 ( -10.842 -1.310 0.000) 10.921 13.622 ( -13.519 -1.619 0.000) 13.615 13.703 ( -6.878 -0.999 0.000) 6.951 13.940 ( -2.782 -1.686 0.000) 3.253 14.096 ( 0.268 3.092 0.000) 3.104 14.143 ( -3.880 3.694 0.000) 5.357 14.440 ( -3.866 -1.942 0.000) 4.326 14.471 ( -3.763 -2.151 0.000) 4.335 15.279 ( 3.187 -0.538 0.000) 3.232 15.299 ( 2.250 -0.610 0.000) 2.331 15.739 ( 9.461 1.685 0.000) 9.610 15.761 ( 8.492 1.331 0.000) 8.595 16.222 ( 4.150 -2.032 0.000) 4.621 16.303 ( 4.774 -2.658 0.000) 5.464 17.186 ( 2.160 7.205 0.000) 7.522 17.336 ( 3.864 4.182 0.000) 5.694 17.432 ( 0.415 -0.793 0.000) 0.895 17.663 ( -0.140 1.188 0.000) 1.196 18.653 ( -1.957 -1.615 0.000) 2.538 18.919 ( -3.698 3.302 0.000) 4.958 18.924 ( -3.288 3.295 0.000) 4.655 19.004 ( 5.314 -1.596 0.000) 5.549 20.279 ( -7.846 0.827 0.000) 7.889 20.281 ( -7.218 0.980 0.000) 7.284 20.976 ( 1.635 -0.371 0.000) 1.677 21.101 ( 12.780 0.297 0.000) 12.783 21.122 ( 15.168 2.256 0.000) 15.335 21.161 ( 14.084 -0.344 0.000) 14.088 21.293 ( 5.639 2.743 0.000) 6.271 21.420 ( 6.745 1.101 0.000) 6.834 21.542 ( 6.663 -0.979 0.000) 6.735 21.655 ( -1.625 -0.342 0.000) 1.660 21.881 ( 0.643 1.134 0.000) 1.304 21.978 ( 0.721 1.832 0.000) 1.969 23.443 ( -6.689 9.842 0.000) 11.900 23.672 ( -13.584 3.370 0.000) 13.996 23.686 ( -8.506 -2.803 0.000) 8.956 23.945 ( -13.717 -3.053 0.000) 14.053 24.139 ( 3.848 -4.345 0.000) 5.804 24.440 ( -3.887 -2.699 0.000) 4.732 25.335 ( 2.727 -1.140 0.000) 2.956 25.366 ( 3.698 -1.743 0.000) 4.088 ======================= Grid point 32 (22/50) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -16.185 -0.104 0.000) 16.186 2.008 ( -14.500 0.871 0.000) 14.526 2.586 ( -29.519 8.942 0.000) 30.844 2.747 ( 0.217 8.549 0.000) 8.551 2.747 ( -5.196 22.506 0.000) 23.098 2.927 ( -34.152 13.410 0.000) 36.690 2.951 ( -18.687 0.810 0.000) 18.704 3.039 ( 3.603 -0.646 0.000) 3.660 3.277 ( -1.882 24.125 0.000) 24.198 3.505 ( -4.264 16.543 0.000) 17.083 3.535 ( -20.688 3.188 0.000) 20.932 3.574 ( 2.992 -0.449 0.000) 3.025 3.981 ( 5.483 3.685 0.000) 6.606 3.985 ( -4.740 12.603 0.000) 13.464 4.262 ( 2.597 -13.336 0.000) 13.587 4.482 ( 0.080 10.030 0.000) 10.031 4.591 ( -1.301 -5.530 0.000) 5.681 4.647 ( 2.941 5.881 0.000) 6.575 4.793 ( -1.823 24.310 0.000) 24.378 4.851 ( -1.675 4.018 0.000) 4.353 4.937 ( 0.919 -3.383 0.000) 3.505 4.985 ( -2.857 2.484 0.000) 3.786 5.224 ( -5.533 0.100 0.000) 5.534 5.256 ( -2.854 -3.880 0.000) 4.817 5.300 ( -3.589 -12.147 0.000) 12.666 5.326 ( -3.967 4.158 0.000) 5.747 5.424 ( 1.314 -3.200 0.000) 3.459 5.477 ( 4.039 -2.160 0.000) 4.580 5.618 ( 0.632 -8.291 0.000) 8.315 5.700 ( 2.372 2.284 0.000) 3.293 5.922 ( 7.993 10.526 0.000) 13.217 5.999 ( 3.057 -1.939 0.000) 3.620 6.116 ( -2.115 5.346 0.000) 5.749 6.130 ( -1.231 7.616 0.000) 7.715 6.337 ( 4.135 2.731 0.000) 4.955 6.465 ( 0.248 -0.975 0.000) 1.006 6.523 ( 1.214 3.648 0.000) 3.845 6.560 ( 6.432 -0.703 0.000) 6.470 6.649 ( 3.039 1.816 0.000) 3.540 6.886 ( -2.574 0.712 0.000) 2.671 6.913 ( 1.134 -0.947 0.000) 1.478 7.027 ( -0.701 -4.543 0.000) 4.597 7.063 ( -2.548 -0.425 0.000) 2.584 7.113 ( -2.817 0.573 0.000) 2.875 7.156 ( -1.757 -10.604 0.000) 10.749 7.299 ( -14.520 -1.511 0.000) 14.598 7.447 ( -3.986 -1.394 0.000) 4.223 7.503 ( -8.419 -2.334 0.000) 8.737 7.836 ( 1.265 -0.130 0.000) 1.272 7.990 ( 5.576 -1.859 0.000) 5.878 8.040 ( 5.486 4.054 0.000) 6.821 8.153 ( 2.515 -2.806 0.000) 3.768 8.253 ( -4.106 0.544 0.000) 4.142 8.318 ( -2.633 7.955 0.000) 8.379 8.919 ( 3.460 -0.229 0.000) 3.467 9.098 ( -1.243 0.172 0.000) 1.255 9.144 ( -4.366 -0.963 0.000) 4.471 9.323 ( 4.326 -5.114 0.000) 6.699 9.463 ( 2.661 -7.416 0.000) 7.879 9.791 ( 0.262 -1.677 0.000) 1.698 10.019 ( -3.001 3.171 0.000) 4.365 10.717 ( 1.058 2.353 0.000) 2.580 10.906 ( 5.310 2.079 0.000) 5.702 10.951 ( 3.840 2.110 0.000) 4.381 12.387 ( 1.748 1.670 0.000) 2.418 12.560 ( 6.131 -4.329 0.000) 7.505 12.582 ( 14.553 -1.861 0.000) 14.672 12.656 ( 21.902 -0.852 0.000) 21.919 12.830 ( 14.337 -0.152 0.000) 14.338 12.849 ( 15.431 0.476 0.000) 15.439 12.978 ( 2.549 -0.717 0.000) 2.648 13.118 ( -1.428 -3.143 0.000) 3.452 13.188 ( -14.875 -1.559 0.000) 14.956 13.395 ( -16.605 -3.065 0.000) 16.885 13.568 ( -9.798 -0.592 0.000) 9.816 13.868 ( -7.123 -1.916 0.000) 7.376 14.044 ( -0.065 5.271 0.000) 5.271 14.061 ( -0.145 4.116 0.000) 4.118 14.436 ( -1.442 -4.477 0.000) 4.704 14.464 ( -1.679 -4.168 0.000) 4.493 15.331 ( 1.797 -0.857 0.000) 1.991 15.339 ( 1.204 -0.941 0.000) 1.528 15.873 ( 8.321 1.666 0.000) 8.487 15.883 ( 7.315 1.244 0.000) 7.420 16.288 ( 0.979 -0.881 0.000) 1.317 16.396 ( 1.810 -3.383 0.000) 3.836 17.102 ( 1.101 10.356 0.000) 10.414 17.323 ( 2.686 6.946 0.000) 7.447 17.405 ( -1.627 3.470 0.000) 3.832 17.611 ( -1.898 4.102 0.000) 4.519 18.647 ( -2.030 -3.373 0.000) 3.937 18.815 ( -1.915 5.615 0.000) 5.933 18.826 ( -1.562 5.793 0.000) 5.999 19.105 ( 2.678 -3.973 0.000) 4.792 20.157 ( -4.493 1.556 0.000) 4.755 20.166 ( -4.188 1.519 0.000) 4.455 20.997 ( 0.500 -0.532 0.000) 0.730 21.305 ( 11.947 1.104 0.000) 11.998 21.340 ( 13.369 2.382 0.000) 13.579 21.365 ( 7.342 3.411 0.000) 8.096 21.384 ( 11.743 1.011 0.000) 11.786 21.482 ( 3.240 2.527 0.000) 4.109 21.593 ( -2.744 0.949 0.000) 2.904 21.651 ( 0.896 -1.505 0.000) 1.752 21.832 ( -2.795 4.774 0.000) 5.532 21.943 ( -1.068 3.361 0.000) 3.526 23.145 ( -8.955 13.900 0.000) 16.535 23.411 ( -10.275 4.166 0.000) 11.087 23.585 ( -6.890 -2.202 0.000) 7.233 23.802 ( -8.993 -5.622 0.000) 10.606 24.265 ( 2.985 -5.763 0.000) 6.490 24.455 ( -0.352 -4.445 0.000) 4.459 25.399 ( 1.864 -2.530 0.000) 3.143 25.446 ( 2.431 -2.452 0.000) 3.453 ======================= Grid point 33 (23/50) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.000 6.979 0.000) 6.979 1.796 ( -0.000 4.067 0.000) 4.067 2.267 ( -0.000 4.002 0.000) 4.002 2.363 ( -0.000 31.726 0.000) 31.726 2.388 ( -0.000 18.205 0.000) 18.205 2.617 ( -0.000 19.953 0.000) 19.953 2.729 ( -0.000 2.391 0.000) 2.391 2.969 ( -0.000 17.290 0.000) 17.290 3.075 ( -0.000 0.226 0.000) 0.226 3.282 ( -0.000 18.197 0.000) 18.197 3.283 ( -0.000 4.527 0.000) 4.527 3.717 ( 0.000 -14.039 0.000) 14.039 3.729 ( -0.000 20.564 0.000) 20.564 4.035 ( 0.000 -2.606 0.000) 2.606 4.264 ( -0.000 17.582 0.000) 17.582 4.318 ( -0.000 32.488 0.000) 32.488 4.494 ( 0.000 -5.555 0.000) 5.555 4.537 ( -0.000 12.454 0.000) 12.454 4.604 ( -0.000 4.221 0.000) 4.221 4.837 ( -0.000 3.116 0.000) 3.116 4.921 ( -0.000 3.093 0.000) 3.093 5.055 ( 0.000 -8.458 0.000) 8.458 5.127 ( -0.000 12.983 0.000) 12.983 5.143 ( -0.000 2.960 0.000) 2.960 5.173 ( -0.000 10.945 0.000) 10.945 5.392 ( 0.000 -3.649 0.000) 3.649 5.458 ( 0.000 -1.832 0.000) 1.832 5.674 ( -0.000 2.899 0.000) 2.899 5.746 ( 0.000 -23.520 0.000) 23.520 5.782 ( 0.000 -16.399 0.000) 16.399 5.909 ( -0.000 9.562 0.000) 9.562 5.923 ( -0.000 12.515 0.000) 12.515 5.970 ( -0.000 4.736 0.000) 4.736 6.049 ( -0.000 1.790 0.000) 1.790 6.377 ( 0.000 -0.794 0.000) 0.794 6.460 ( -0.000 8.900 0.000) 8.900 6.518 ( 0.000 -5.499 0.000) 5.499 6.647 ( -0.000 0.462 0.000) 0.462 6.675 ( 0.000 -4.343 0.000) 4.343 6.843 ( -0.000 2.121 0.000) 2.121 6.896 ( -0.000 4.719 0.000) 4.719 6.970 ( -0.000 1.152 0.000) 1.152 7.077 ( -0.000 1.201 0.000) 1.201 7.174 ( 0.000 -8.325 0.000) 8.325 7.210 ( 0.000 -6.225 0.000) 6.225 7.256 ( 0.000 -6.447 0.000) 6.447 7.361 ( 0.000 -3.320 0.000) 3.320 7.536 ( 0.000 -3.714 0.000) 3.714 7.833 ( -0.000 2.618 0.000) 2.618 7.981 ( -0.000 9.556 0.000) 9.556 8.051 ( 0.000 -0.913 0.000) 0.913 8.188 ( -0.000 9.122 0.000) 9.122 8.222 ( 0.000 -4.480 0.000) 4.480 8.272 ( 0.000 -6.440 0.000) 6.440 8.948 ( -0.000 0.273 0.000) 0.273 9.099 ( -0.000 1.522 0.000) 1.522 9.128 ( 0.000 -5.783 0.000) 5.783 9.444 ( 0.000 -7.338 0.000) 7.338 9.587 ( 0.000 -8.235 0.000) 8.235 9.815 ( 0.000 -1.978 0.000) 1.978 9.933 ( -0.000 6.346 0.000) 6.346 10.694 ( -0.000 2.843 0.000) 2.843 10.917 ( -0.000 3.056 0.000) 3.056 10.950 ( -0.000 3.109 0.000) 3.109 12.376 ( -0.000 1.546 0.000) 1.546 12.639 ( 0.000 -5.128 0.000) 5.128 12.893 ( -0.000 0.690 0.000) 0.690 12.899 ( 0.000 -1.236 0.000) 1.236 12.919 ( -0.000 0.076 0.000) 0.076 13.012 ( -0.000 0.110 0.000) 0.110 13.016 ( 0.000 -0.813 0.000) 0.813 13.028 ( 0.000 -0.589 0.000) 0.589 13.110 ( 0.000 -0.370 0.000) 0.370 13.227 ( 0.000 -6.059 0.000) 6.059 13.454 ( -0.000 0.807 0.000) 0.807 13.822 ( 0.000 -2.149 0.000) 2.149 13.974 ( -0.000 5.479 0.000) 5.479 14.019 ( -0.000 2.709 0.000) 2.709 14.494 ( 0.000 -6.359 0.000) 6.359 14.516 ( 0.000 -6.144 0.000) 6.144 15.357 ( 0.000 -1.043 0.000) 1.043 15.361 ( 0.000 -1.110 0.000) 1.110 15.941 ( -0.000 0.839 0.000) 0.839 15.942 ( -0.000 0.812 0.000) 0.812 16.270 ( -0.000 4.360 0.000) 4.360 16.451 ( 0.000 -3.329 0.000) 3.329 16.983 ( -0.000 9.544 0.000) 9.544 17.251 ( -0.000 8.510 0.000) 8.510 17.310 ( -0.000 8.313 0.000) 8.313 17.518 ( -0.000 7.263 0.000) 7.263 18.666 ( 0.000 -0.053 0.000) 0.053 18.731 ( -0.000 7.402 0.000) 7.402 18.736 ( -0.000 1.559 0.000) 1.559 19.193 ( 0.000 -6.650 0.000) 6.650 20.096 ( -0.000 2.294 0.000) 2.294 20.112 ( -0.000 1.624 0.000) 1.624 21.008 ( 0.000 -0.584 0.000) 0.584 21.419 ( -0.000 1.234 0.000) 1.234 21.446 ( -0.000 0.892 0.000) 0.892 21.451 ( -0.000 6.126 0.000) 6.126 21.464 ( -0.000 1.249 0.000) 1.249 21.485 ( -0.000 4.168 0.000) 4.168 21.487 ( -0.000 0.869 0.000) 0.869 21.665 ( 0.000 -0.810 0.000) 0.810 21.694 ( -0.000 8.691 0.000) 8.691 21.879 ( -0.000 3.473 0.000) 3.473 22.869 ( -0.000 15.972 0.000) 15.972 23.273 ( -0.000 3.113 0.000) 3.113 23.540 ( 0.000 -1.053 0.000) 1.053 23.804 ( 0.000 -7.123 0.000) 7.123 24.369 ( 0.000 -6.911 0.000) 6.911 24.512 ( 0.000 -4.427 0.000) 4.427 25.450 ( 0.000 -3.028 0.000) 3.028 25.500 ( 0.000 -2.937 0.000) 2.937 ======================= Grid point 40 (24/50) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -15.612 -0.000 0.000) 15.612 2.015 ( -11.304 -0.000 0.000) 11.304 2.717 ( -34.630 -0.000 0.000) 34.630 2.833 ( 2.549 0.000 0.000) 2.549 2.946 ( 5.893 0.000 0.000) 5.893 2.949 ( -16.496 -0.000 0.000) 16.496 3.113 ( -34.929 -0.000 0.000) 34.929 3.119 ( -1.132 -0.000 0.000) 1.132 3.441 ( -0.769 -0.000 0.000) 0.769 3.517 ( -24.052 -0.000 0.000) 24.052 3.890 ( -4.650 -0.000 0.000) 4.650 3.943 ( 2.292 0.000 0.000) 2.292 4.081 ( 1.821 0.000 0.000) 1.821 4.088 ( 2.651 0.000 0.000) 2.651 4.126 ( 3.529 0.000 0.000) 3.529 4.357 ( 5.691 0.000 0.000) 5.691 4.552 ( 7.041 0.000 0.000) 7.041 4.684 ( -11.071 -0.000 0.000) 11.071 4.728 ( 5.181 0.000 0.000) 5.181 4.874 ( -10.822 -0.000 0.000) 10.822 4.956 ( -6.122 -0.000 0.000) 6.122 5.013 ( -3.067 -0.000 0.000) 3.067 5.184 ( 0.295 0.000 0.000) 0.295 5.209 ( -3.862 -0.000 0.000) 3.862 5.292 ( 1.878 0.000 0.000) 1.878 5.355 ( 1.996 0.000 0.000) 1.996 5.422 ( -0.839 -0.000 0.000) 0.839 5.493 ( -0.406 -0.000 0.000) 0.406 5.532 ( -6.964 -0.000 0.000) 6.964 5.774 ( 1.944 0.000 0.000) 1.944 5.919 ( 13.834 0.000 0.000) 13.834 6.056 ( 4.121 0.000 0.000) 4.121 6.148 ( 3.832 0.000 0.000) 3.832 6.301 ( 11.688 0.000 0.000) 11.688 6.390 ( -8.965 -0.000 0.000) 8.965 6.532 ( 9.076 0.000 0.000) 9.076 6.562 ( 8.715 0.000 0.000) 8.715 6.591 ( -5.400 -0.000 0.000) 5.400 6.718 ( 3.755 0.000 0.000) 3.755 6.821 ( 0.859 0.000 0.000) 0.859 6.909 ( -4.367 -0.000 0.000) 4.367 6.918 ( -1.395 -0.000 0.000) 1.395 6.947 ( -2.167 -0.000 0.000) 2.167 7.101 ( -2.090 -0.000 0.000) 2.090 7.126 ( -3.832 -0.000 0.000) 3.832 7.285 ( -16.646 -0.000 0.000) 16.646 7.402 ( 1.097 0.000 0.000) 1.097 7.490 ( -14.445 -0.000 0.000) 14.445 7.833 ( 1.694 0.000 0.000) 1.694 7.960 ( 7.811 0.000 0.000) 7.811 8.047 ( 7.111 0.000 0.000) 7.111 8.123 ( 3.149 0.000 0.000) 3.149 8.319 ( -5.601 -0.000 0.000) 5.601 8.431 ( -4.209 -0.000 0.000) 4.209 8.905 ( 3.766 0.000 0.000) 3.766 9.077 ( -7.302 -0.000 0.000) 7.302 9.174 ( 1.413 0.000 0.000) 1.413 9.255 ( 3.125 0.000 0.000) 3.125 9.343 ( 1.376 0.000 0.000) 1.376 9.770 ( 0.533 0.000 0.000) 0.533 10.057 ( -2.537 -0.000 0.000) 2.537 10.750 ( 0.997 0.000 0.000) 0.997 10.932 ( 5.597 0.000 0.000) 5.597 10.979 ( 4.228 0.000 0.000) 4.228 12.429 ( 1.997 0.000 0.000) 1.997 12.466 ( 1.813 0.000 0.000) 1.813 12.568 ( 18.403 0.000 0.000) 18.403 12.644 ( 21.887 0.000 0.000) 21.887 12.822 ( 14.382 0.000 0.000) 14.382 12.855 ( 15.495 0.000 0.000) 15.495 12.965 ( 0.019 0.000 0.000) 0.019 13.075 ( 1.928 0.000 0.000) 1.928 13.166 ( -14.555 -0.000 0.000) 14.555 13.355 ( -16.939 -0.000 0.000) 16.939 13.557 ( -9.325 -0.000 0.000) 9.325 13.839 ( -6.855 -0.000 0.000) 6.855 14.125 ( 0.475 0.000 0.000) 0.475 14.130 ( -0.785 -0.000 0.000) 0.785 14.373 ( -2.282 -0.000 0.000) 2.282 14.407 ( -2.082 -0.000 0.000) 2.082 15.320 ( 1.931 0.000 0.000) 1.931 15.327 ( 1.383 0.000 0.000) 1.383 15.893 ( 7.036 0.000 0.000) 7.036 15.899 ( 6.392 0.000 0.000) 6.392 16.266 ( 2.230 0.000 0.000) 2.230 16.351 ( 2.552 0.000 0.000) 2.552 17.265 ( 1.292 0.000 0.000) 1.292 17.415 ( 2.343 0.000 0.000) 2.343 17.422 ( -0.596 -0.000 0.000) 0.596 17.659 ( -1.121 -0.000 0.000) 1.121 18.606 ( -2.091 -0.000 0.000) 2.091 18.892 ( -1.918 -0.000 0.000) 1.918 18.902 ( -1.662 -0.000 0.000) 1.662 19.058 ( 2.329 0.000 0.000) 2.329 20.176 ( -4.621 -0.000 0.000) 4.621 20.186 ( -4.420 -0.000 0.000) 4.420 20.990 ( 0.576 0.000 0.000) 0.576 21.318 ( 11.762 0.000 0.000) 11.762 21.376 ( 12.140 0.000 0.000) 12.140 21.385 ( 11.538 0.000 0.000) 11.538 21.408 ( 5.628 0.000 0.000) 5.628 21.511 ( 3.042 0.000 0.000) 3.042 21.615 ( -2.995 -0.000 0.000) 2.995 21.623 ( 3.174 0.000 0.000) 3.174 21.893 ( -0.478 -0.000 0.000) 0.478 21.996 ( -0.201 -0.000 0.000) 0.201 23.438 ( -4.892 -0.000 0.000) 4.892 23.454 ( -10.305 -0.000 0.000) 10.305 23.484 ( -10.404 -0.000 0.000) 10.404 23.718 ( -9.652 -0.000 0.000) 9.652 24.194 ( 3.953 0.000 0.000) 3.953 24.384 ( -0.761 -0.000 0.000) 0.761 25.364 ( 1.681 0.000 0.000) 1.681 25.412 ( 2.561 0.000 0.000) 2.561 ======================= Grid point 42 (25/50) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -0.000 0.345 0.000) 0.345 1.888 ( -0.000 1.940 0.000) 1.940 2.378 ( -0.000 3.474 0.000) 3.474 2.738 ( -0.000 8.689 0.000) 8.689 2.761 ( -0.000 0.373 0.000) 0.373 2.874 ( -0.000 3.841 0.000) 3.841 2.950 ( -0.000 10.318 0.000) 10.318 3.081 ( -0.000 3.080 0.000) 3.080 3.304 ( 0.000 -1.236 0.000) 1.236 3.407 ( -0.000 3.977 0.000) 3.977 3.723 ( -0.000 16.470 0.000) 16.470 3.827 ( -0.000 26.941 0.000) 26.941 4.078 ( -0.000 3.707 0.000) 3.707 4.080 ( -0.000 7.266 0.000) 7.266 4.124 ( 0.000 -9.739 0.000) 9.739 4.471 ( 0.000 -10.023 0.000) 10.023 4.596 ( -0.000 7.498 0.000) 7.498 4.742 ( 0.000 -12.737 0.000) 12.737 4.772 ( -0.000 5.913 0.000) 5.913 4.861 ( 0.000 -12.283 0.000) 12.283 4.917 ( 0.000 -7.526 0.000) 7.526 4.975 ( -0.000 1.216 0.000) 1.216 5.159 ( -0.000 0.109 0.000) 0.109 5.176 ( 0.000 -0.181 0.000) 0.181 5.204 ( -0.000 10.285 0.000) 10.285 5.366 ( -0.000 4.367 0.000) 4.367 5.422 ( 0.000 -0.719 0.000) 0.719 5.486 ( 0.000 -2.896 0.000) 2.896 5.540 ( 0.000 -5.462 0.000) 5.462 5.762 ( -0.000 3.921 0.000) 3.921 6.073 ( -0.000 2.854 0.000) 2.854 6.080 ( -0.000 0.962 0.000) 0.962 6.144 ( -0.000 4.842 0.000) 4.842 6.308 ( -0.000 17.999 0.000) 17.999 6.308 ( 0.000 -5.320 0.000) 5.320 6.515 ( 0.000 -2.349 0.000) 2.349 6.570 ( -0.000 10.169 0.000) 10.169 6.655 ( 0.000 -0.550 0.000) 0.550 6.697 ( -0.000 3.677 0.000) 3.677 6.904 ( -0.000 2.256 0.000) 2.256 6.927 ( 0.000 -0.109 0.000) 0.109 6.928 ( 0.000 -10.927 0.000) 10.927 6.968 ( 0.000 -12.632 0.000) 12.632 7.060 ( -0.000 2.945 0.000) 2.945 7.099 ( 0.000 -0.540 0.000) 0.540 7.124 ( 0.000 -1.129 0.000) 1.129 7.345 ( -0.000 0.319 0.000) 0.319 7.433 ( 0.000 -3.393 0.000) 3.393 7.846 ( 0.000 -0.083 0.000) 0.083 8.038 ( 0.000 -0.221 0.000) 0.221 8.152 ( 0.000 -2.666 0.000) 2.666 8.157 ( 0.000 -1.025 0.000) 1.025 8.207 ( -0.000 6.067 0.000) 6.067 8.362 ( -0.000 4.036 0.000) 4.036 8.942 ( 0.000 -0.655 0.000) 0.655 9.026 ( 0.000 -2.231 0.000) 2.231 9.162 ( -0.000 3.110 0.000) 3.110 9.302 ( 0.000 -3.307 0.000) 3.307 9.398 ( 0.000 -6.039 0.000) 6.039 9.779 ( 0.000 -0.797 0.000) 0.797 10.025 ( -0.000 1.665 0.000) 1.665 10.750 ( -0.000 1.351 0.000) 1.351 10.972 ( -0.000 1.207 0.000) 1.207 11.007 ( -0.000 1.281 0.000) 1.281 12.418 ( -0.000 1.921 0.000) 1.921 12.511 ( 0.000 -4.258 0.000) 4.258 12.865 ( 0.000 -1.030 0.000) 1.030 12.901 ( -0.000 0.251 0.000) 0.251 12.918 ( 0.000 -0.058 0.000) 0.058 12.963 ( 0.000 -2.413 0.000) 2.413 13.012 ( 0.000 -0.066 0.000) 0.066 13.019 ( 0.000 -0.151 0.000) 0.151 13.105 ( 0.000 -0.053 0.000) 0.053 13.108 ( 0.000 -2.534 0.000) 2.534 13.452 ( 0.000 -0.387 0.000) 0.387 13.773 ( 0.000 -1.328 0.000) 1.328 14.103 ( -0.000 3.860 0.000) 3.860 14.106 ( -0.000 2.961 0.000) 2.961 14.374 ( 0.000 -3.147 0.000) 3.147 14.406 ( 0.000 -2.643 0.000) 2.643 15.339 ( 0.000 -0.396 0.000) 0.396 15.342 ( 0.000 -0.421 0.000) 0.421 15.955 ( -0.000 0.263 0.000) 0.263 15.955 ( -0.000 0.277 0.000) 0.277 16.289 ( 0.000 -0.602 0.000) 0.602 16.382 ( 0.000 -1.650 0.000) 1.650 17.225 ( -0.000 7.445 0.000) 7.445 17.412 ( -0.000 3.699 0.000) 3.699 17.416 ( -0.000 0.516 0.000) 0.516 17.634 ( -0.000 2.171 0.000) 2.171 18.596 ( 0.000 -1.692 0.000) 1.692 18.855 ( -0.000 3.277 0.000) 3.277 18.869 ( -0.000 3.142 0.000) 3.142 19.088 ( 0.000 -2.001 0.000) 2.001 20.132 ( -0.000 0.699 0.000) 0.699 20.143 ( -0.000 0.722 0.000) 0.722 20.997 ( 0.000 -0.251 0.000) 0.251 21.442 ( -0.000 0.529 0.000) 0.529 21.462 ( -0.000 0.320 0.000) 0.320 21.488 ( -0.000 0.559 0.000) 0.559 21.502 ( -0.000 0.280 0.000) 0.280 21.518 ( -0.000 0.635 0.000) 0.635 21.558 ( -0.000 1.591 0.000) 1.591 21.649 ( 0.000 -0.387 0.000) 0.387 21.861 ( -0.000 3.689 0.000) 3.689 21.973 ( -0.000 2.816 0.000) 2.816 23.233 ( -0.000 12.849 0.000) 12.849 23.366 ( -0.000 3.340 0.000) 3.340 23.472 ( 0.000 -5.652 0.000) 5.652 23.659 ( 0.000 -4.002 0.000) 4.002 24.244 ( 0.000 -2.526 0.000) 2.526 24.403 ( 0.000 -3.367 0.000) 3.367 25.388 ( 0.000 -1.545 0.000) 1.545 25.443 ( 0.000 -1.399 0.000) 1.399 ======================= Grid point 83 (26/50) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 0.000 26.158) 26.158 0.651 ( 0.000 0.000 31.485) 31.485 1.001 ( 0.000 0.000 -20.068) 20.068 1.193 ( 0.000 0.000 2.104) 2.104 1.200 ( 0.000 0.000 33.895) 33.895 1.769 ( 0.000 0.000 11.380) 11.380 2.013 ( 0.000 0.000 -11.780) 11.780 2.208 ( 0.000 0.000 -41.097) 41.097 2.280 ( 0.000 0.000 1.904) 1.904 2.280 ( 0.000 0.000 1.933) 1.933 2.730 ( 0.000 0.000 16.748) 16.748 3.153 ( 0.000 0.000 -24.250) 24.250 3.288 ( 0.000 0.000 13.483) 13.483 3.502 ( 0.000 0.000 4.084) 4.084 3.549 ( 0.000 0.000 -6.781) 6.781 3.629 ( 0.000 0.000 -12.073) 12.073 4.000 ( 0.000 0.000 14.496) 14.496 4.185 ( 0.000 0.000 3.073) 3.073 4.206 ( 0.000 0.000 -6.754) 6.754 4.354 ( 0.000 0.000 -10.558) 10.558 4.737 ( 0.000 0.000 6.041) 6.041 4.810 ( 0.000 0.000 5.806) 5.806 4.846 ( 0.000 0.000 7.318) 7.318 4.857 ( 0.000 0.000 -5.072) 5.072 5.421 ( 0.000 0.000 10.500) 10.500 5.492 ( 0.000 0.000 0.803) 0.803 5.508 ( 0.000 0.000 -0.734) 0.734 5.597 ( 0.000 0.000 -3.072) 3.072 5.822 ( 0.000 0.000 3.953) 3.953 5.915 ( 0.000 0.000 -4.628) 4.628 5.919 ( 0.000 0.000 3.893) 3.893 5.936 ( 0.000 0.000 -1.654) 1.654 6.047 ( 0.000 0.000 3.038) 3.038 6.264 ( 0.000 0.000 -12.384) 12.384 6.384 ( 0.000 0.000 13.203) 13.203 6.640 ( 0.000 0.000 -11.484) 11.484 6.667 ( 0.000 0.000 2.422) 2.422 6.723 ( 0.000 0.000 -2.702) 2.702 6.815 ( 0.000 0.000 4.549) 4.549 6.922 ( 0.000 0.000 -5.696) 5.696 7.235 ( 0.000 0.000 5.782) 5.782 7.317 ( 0.000 0.000 -0.389) 0.389 7.329 ( 0.000 0.000 -1.444) 1.444 7.355 ( 0.000 0.000 -6.024) 6.024 7.558 ( 0.000 0.000 1.135) 1.135 7.583 ( 0.000 0.000 -0.983) 0.983 7.588 ( 0.000 0.000 0.664) 0.664 7.597 ( 0.000 0.000 -0.256) 0.256 7.724 ( 0.000 0.000 2.377) 2.377 7.763 ( 0.000 0.000 -1.325) 1.325 8.004 ( 0.000 0.000 7.105) 7.105 8.141 ( 0.000 0.000 -5.812) 5.812 8.450 ( 0.000 0.000 0.326) 0.326 8.457 ( 0.000 0.000 -0.342) 0.342 8.635 ( 0.000 0.000 1.001) 1.001 8.658 ( 0.000 0.000 -1.071) 1.071 8.984 ( 0.000 0.000 3.500) 3.500 9.061 ( 0.000 0.000 -3.622) 3.622 9.858 ( 0.000 0.000 3.679) 3.679 9.935 ( 0.000 0.000 -3.389) 3.389 9.949 ( 0.000 0.000 7.673) 7.673 10.104 ( 0.000 0.000 -6.666) 6.666 10.729 ( 0.000 0.000 0.999) 0.999 10.750 ( 0.000 0.000 -0.889) 0.889 12.425 ( 0.000 0.000 1.269) 1.269 12.453 ( 0.000 0.000 -1.307) 1.307 12.705 ( 0.000 0.000 0.469) 0.469 12.715 ( 0.000 0.000 -0.423) 0.423 12.922 ( 0.000 0.000 1.582) 1.582 12.962 ( 0.000 0.000 -2.284) 2.284 13.099 ( 0.000 0.000 1.897) 1.897 13.130 ( 0.000 0.000 -1.191) 1.191 13.269 ( 0.000 0.000 0.903) 0.903 13.290 ( 0.000 0.000 -0.954) 0.954 13.735 ( 0.000 0.000 1.393) 1.393 13.765 ( 0.000 0.000 -1.426) 1.426 14.122 ( 0.000 0.000 1.147) 1.147 14.146 ( 0.000 0.000 -1.076) 1.076 14.867 ( 0.000 0.000 0.697) 0.697 14.882 ( 0.000 0.000 -0.682) 0.682 15.430 ( 0.000 0.000 0.187) 0.187 15.434 ( 0.000 0.000 -0.187) 0.187 15.605 ( 0.000 0.000 0.461) 0.461 15.615 ( 0.000 0.000 -0.469) 0.469 15.875 ( 0.000 0.000 0.033) 0.033 15.875 ( 0.000 0.000 -0.033) 0.033 16.396 ( 0.000 0.000 0.434) 0.434 16.406 ( 0.000 0.000 -0.427) 0.427 17.289 ( 0.000 0.000 0.501) 0.501 17.299 ( 0.000 0.000 -0.492) 0.492 18.305 ( 0.000 0.000 0.255) 0.255 18.310 ( 0.000 0.000 -0.254) 0.254 19.667 ( 0.000 0.000 0.438) 0.438 19.676 ( 0.000 0.000 -0.439) 0.439 20.487 ( 0.000 0.000 0.278) 0.278 20.493 ( 0.000 0.000 -0.281) 0.281 20.865 ( 0.000 0.000 0.954) 0.954 20.888 ( 0.000 0.000 -1.189) 1.189 21.033 ( 0.000 0.000 1.082) 1.082 21.053 ( 0.000 0.000 -0.845) 0.845 21.354 ( 0.000 0.000 0.590) 0.590 21.370 ( 0.000 0.000 -0.986) 0.986 21.411 ( 0.000 0.000 0.894) 0.894 21.425 ( 0.000 0.000 -0.498) 0.498 21.837 ( 0.000 0.000 0.171) 0.171 21.841 ( 0.000 0.000 -0.179) 0.179 21.970 ( 0.000 0.000 0.377) 0.377 21.978 ( 0.000 0.000 -0.366) 0.366 24.257 ( 0.000 0.000 2.389) 2.389 24.320 ( 0.000 0.000 -3.647) 3.647 24.637 ( 0.000 0.000 4.968) 4.968 24.730 ( 0.000 0.000 -3.844) 3.844 25.717 ( 0.000 0.000 1.479) 1.479 25.747 ( 0.000 0.000 -1.344) 1.344 ======================= Grid point 84 (27/50) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 14.831 -14.353 24.695) 32.184 1.359 ( 33.657 -16.103 24.874) 44.842 1.417 ( 11.697 -15.730 -21.258) 28.916 1.571 ( 44.491 -17.124 24.988) 53.825 1.679 ( 56.478 -5.308 -12.817) 58.157 1.951 ( 15.866 -2.268 10.088) 18.938 2.157 ( 11.203 0.484 -12.111) 16.505 2.234 ( 8.173 -2.020 -22.573) 24.092 2.479 ( 15.883 -9.359 4.126) 18.892 2.518 ( 20.658 -10.491 -0.248) 23.171 2.924 ( 20.183 -0.709 12.950) 23.990 3.275 ( 7.618 1.593 -12.850) 15.023 3.327 ( 9.447 0.652 -8.111) 12.468 3.417 ( 3.988 5.734 -4.243) 8.172 3.662 ( 3.310 -4.290 0.651) 5.458 3.741 ( 3.023 -14.962 -4.935) 16.043 4.122 ( 7.581 -4.067 12.393) 15.087 4.158 ( -2.270 0.145 1.149) 2.549 4.297 ( 0.315 1.627 -8.131) 8.298 4.318 ( 3.335 -3.287 -7.221) 8.606 4.757 ( -1.964 -2.010 8.744) 9.185 4.818 ( 4.557 -1.490 4.651) 6.679 4.838 ( -0.225 -4.580 5.485) 7.149 4.926 ( 6.084 -1.738 -5.238) 8.214 5.404 ( 0.381 0.869 9.770) 9.816 5.573 ( 0.244 -2.319 -5.213) 5.711 5.627 ( 11.106 2.631 2.579) 11.701 5.678 ( 6.347 5.056 -0.410) 8.125 5.738 ( -8.879 5.240 2.977) 10.731 5.752 ( -1.475 0.152 -0.644) 1.616 5.989 ( 2.340 2.504 -1.457) 3.724 6.008 ( 1.266 1.936 -2.179) 3.177 6.070 ( 2.448 -1.224 3.732) 4.628 6.214 ( 3.308 4.173 -7.202) 8.957 6.405 ( -2.897 -3.696 2.473) 5.307 6.456 ( -4.042 -3.143 -1.142) 5.246 6.691 ( 2.922 0.628 2.510) 3.903 6.750 ( 1.681 -0.824 -2.891) 3.445 6.934 ( 11.992 3.885 6.614) 14.235 7.034 ( 0.515 5.352 -1.336) 5.540 7.076 ( -11.549 4.894 5.245) 13.596 7.146 ( -14.569 1.435 -2.637) 14.875 7.202 ( -1.380 -1.852 0.698) 2.413 7.287 ( -3.736 1.182 -4.338) 5.846 7.442 ( 6.745 0.665 -1.445) 6.930 7.473 ( 10.071 0.426 -3.801) 10.773 7.695 ( 2.188 6.312 4.061) 7.817 7.719 ( 3.664 4.876 1.156) 6.208 7.760 ( 1.136 4.159 0.959) 4.416 7.822 ( 5.930 8.630 -3.716) 11.111 8.136 ( 14.064 12.396 2.888) 18.968 8.201 ( 8.666 12.093 -3.072) 15.191 8.569 ( -0.550 1.161 0.561) 1.401 8.597 ( -0.519 0.973 -2.161) 2.426 8.805 ( 7.373 -28.295 7.408) 30.164 8.931 ( -4.379 -2.705 2.636) 5.783 9.020 ( -2.689 -6.329 -6.172) 9.240 9.065 ( 2.369 -21.173 -11.966) 24.435 9.816 ( -2.868 1.104 6.167) 6.890 9.910 ( -0.560 -1.246 3.056) 3.348 10.025 ( 4.279 6.626 -5.510) 9.622 10.158 ( 4.035 -5.458 -17.654) 18.914 10.719 ( -2.220 -1.234 1.167) 2.795 10.745 ( -1.552 -1.280 -1.283) 2.386 12.373 ( -7.526 -1.744 1.583) 7.886 12.385 ( -8.378 -3.477 -0.010) 9.071 12.577 ( -15.478 -0.891 0.143) 15.504 12.591 ( -14.116 -1.452 -1.099) 14.233 12.854 ( -9.416 0.997 5.552) 10.977 12.921 ( -7.789 1.261 -2.206) 8.193 13.031 ( -2.909 0.195 1.545) 3.299 13.063 ( -2.782 -0.861 -1.552) 3.300 13.357 ( 7.241 1.725 4.142) 8.519 13.384 ( 8.213 -1.512 0.165) 8.353 13.546 ( 3.300 4.447 13.490) 14.583 13.786 ( 0.577 0.384 -9.247) 9.273 14.091 ( 1.549 3.478 2.757) 4.701 14.143 ( 3.324 2.820 -2.376) 4.964 14.877 ( -2.943 -2.542 1.033) 4.024 14.901 ( -4.422 -2.652 -1.374) 5.336 15.399 ( -6.517 -4.190 5.640) 9.583 15.450 ( 0.534 -0.655 -0.750) 1.130 15.479 ( 2.086 2.013 2.466) 3.805 15.577 ( -8.531 -4.186 -5.318) 10.889 15.881 ( -1.579 -2.630 5.947) 6.692 16.078 ( -0.102 -3.454 -14.436) 14.844 16.592 ( 13.154 -7.603 2.143) 15.343 16.670 ( 17.616 -9.558 -7.455) 21.383 17.207 ( -2.969 4.115 3.892) 6.395 17.250 ( -2.182 3.497 -1.179) 4.287 18.342 ( 2.760 -2.116 0.217) 3.485 18.347 ( 2.730 -2.033 -0.216) 3.411 19.632 ( -2.304 16.091 8.599) 18.389 19.709 ( 5.415 6.829 -1.786) 8.896 19.951 ( -12.447 -1.371 13.733) 18.585 20.164 ( -20.831 7.374 -6.640) 23.074 20.673 ( -4.250 -7.365 1.354) 8.610 20.703 ( -10.312 -10.490 -1.428) 14.779 20.967 ( -9.450 -3.191 2.272) 10.229 21.034 ( -9.402 -5.147 -4.419) 11.594 21.315 ( -7.172 -0.040 4.807) 8.634 21.382 ( -2.204 -0.019 -2.046) 3.007 21.628 ( 8.705 1.285 0.348) 8.806 21.634 ( 9.240 2.000 -0.241) 9.457 21.800 ( -1.382 1.582 0.393) 2.137 21.813 ( -0.921 0.247 -0.800) 1.245 22.370 ( 34.323 -5.903 10.990) 36.519 22.746 ( 34.549 -9.261 -29.189) 46.167 24.258 ( 0.934 12.695 8.495) 15.304 24.291 ( 6.352 4.597 1.392) 7.963 24.571 ( -2.011 -0.199 1.226) 2.364 24.660 ( -6.471 0.151 -5.597) 8.557 25.625 ( -5.866 3.661 3.773) 7.877 25.654 ( -4.880 2.141 0.045) 5.329 ======================= Grid point 85 (28/50) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 19.794 -14.285 13.215) 27.758 1.766 ( 11.985 -7.814 -21.046) 25.449 2.075 ( 17.938 -34.153 20.327) 43.605 2.215 ( 16.904 -0.841 6.090) 17.987 2.309 ( 11.679 -1.014 -3.472) 12.226 2.380 ( 17.021 -13.805 -4.144) 22.304 2.785 ( 49.949 -10.206 2.446) 51.039 2.815 ( 42.771 -8.378 0.184) 43.584 2.996 ( 32.669 -8.880 6.107) 34.401 3.096 ( 26.060 -10.142 -3.924) 28.238 3.273 ( 8.936 6.979 -0.681) 11.359 3.281 ( 17.507 -1.392 2.037) 17.680 3.537 ( 20.547 2.345 -8.237) 22.260 3.654 ( 17.867 -3.413 -17.478) 25.226 3.799 ( 4.099 -4.584 3.954) 7.311 3.979 ( 5.066 -6.398 -8.913) 12.085 4.122 ( -1.229 -3.651 1.585) 4.165 4.183 ( 1.281 -1.910 -3.492) 4.182 4.379 ( 10.079 -6.968 9.121) 15.275 4.522 ( 5.919 -9.304 -4.679) 11.978 4.795 ( 0.316 -6.900 9.922) 12.090 4.904 ( 1.626 -5.658 1.751) 6.142 4.975 ( 6.165 -3.719 4.718) 8.608 5.065 ( 6.151 -1.947 -4.914) 8.111 5.418 ( 1.563 1.166 8.431) 8.654 5.486 ( -4.018 11.064 9.264) 14.979 5.516 ( -6.505 3.348 -0.906) 7.372 5.673 ( 0.472 -4.099 -3.483) 5.400 5.758 ( 5.868 4.636 -0.152) 7.480 5.812 ( 6.227 3.800 -4.026) 8.332 5.884 ( -0.750 7.997 1.304) 8.138 5.981 ( 0.617 2.091 -5.697) 6.100 6.173 ( 4.991 -1.932 3.517) 6.404 6.286 ( 5.506 0.339 -7.280) 9.134 6.435 ( 1.571 -0.958 1.005) 2.097 6.452 ( -3.449 -0.506 -0.370) 3.505 6.691 ( -0.631 4.345 1.055) 4.516 6.734 ( -4.424 2.512 -2.909) 5.861 6.870 ( -5.057 -1.715 2.168) 5.763 6.902 ( -5.062 -4.809 -1.354) 7.112 7.050 ( 2.708 5.517 4.429) 7.575 7.116 ( 7.671 2.622 4.545) 9.294 7.167 ( -2.316 3.138 0.084) 3.901 7.301 ( 2.902 -3.151 -6.777) 8.017 7.541 ( 4.312 1.516 3.451) 5.728 7.604 ( 5.318 -1.031 -2.173) 5.837 7.642 ( 1.529 9.738 3.101) 10.334 7.679 ( -1.284 4.907 1.063) 5.182 7.708 ( -2.736 3.000 -0.046) 4.060 7.792 ( 2.211 -0.988 -4.850) 5.421 8.165 ( 7.717 10.691 0.981) 13.222 8.185 ( 6.081 9.911 -0.905) 11.663 8.528 ( -0.684 2.714 -0.033) 2.799 8.546 ( -0.952 2.795 -1.280) 3.218 8.809 ( -8.067 0.453 5.555) 9.805 8.937 ( -5.482 1.131 -6.504) 8.581 9.188 ( -0.822 -12.625 2.533) 12.902 9.235 ( -3.269 -8.819 -1.316) 9.496 9.793 ( 1.362 1.123 9.103) 9.272 9.927 ( -0.121 -5.129 10.790) 11.947 9.952 ( -1.075 7.220 -5.025) 8.862 10.277 ( 1.801 -5.197 -20.246) 20.979 10.682 ( -4.320 -1.581 1.839) 4.954 10.726 ( -2.943 -1.619 -2.571) 4.230 12.207 ( -17.125 -1.884 1.132) 17.266 12.232 ( -15.329 -2.867 -0.997) 15.627 12.305 ( -15.489 -1.807 2.687) 15.824 12.369 ( -14.656 -3.720 -3.794) 15.589 12.637 ( -10.441 2.294 6.841) 12.691 12.732 ( -8.071 3.083 -3.062) 9.166 13.009 ( -0.551 -1.355 4.370) 4.608 13.092 ( 0.194 -3.821 -3.391) 5.112 13.496 ( 9.207 -0.909 5.288) 10.656 13.557 ( 8.002 -3.465 -1.076) 8.786 13.657 ( 6.915 -2.879 4.956) 8.981 13.823 ( 3.912 -0.224 -9.993) 10.734 14.107 ( 3.761 2.416 4.190) 6.127 14.170 ( 4.379 4.170 -2.216) 6.441 14.808 ( -3.809 2.846 0.472) 4.778 14.819 ( -4.047 2.768 -0.505) 4.929 15.348 ( -7.800 -5.539 3.176) 10.080 15.409 ( -6.963 -2.072 -2.502) 7.683 15.484 ( 1.528 4.067 1.762) 4.688 15.525 ( 0.029 2.664 -2.250) 3.487 15.934 ( -0.648 -10.359 6.588) 12.293 16.094 ( -5.305 -11.004 -8.332) 14.787 16.872 ( 8.053 -2.729 3.871) 9.343 16.970 ( 6.880 -1.938 -5.726) 9.159 17.158 ( 2.014 0.914 3.457) 4.104 17.225 ( 4.212 -2.471 -3.313) 5.901 18.441 ( 4.443 -3.710 0.138) 5.790 18.444 ( 4.451 -3.601 -0.134) 5.727 19.344 ( -5.426 12.867 8.703) 16.454 19.500 ( -9.875 13.048 -6.112) 17.467 20.054 ( 8.235 -5.464 1.630) 10.016 20.083 ( 6.483 -4.806 -1.175) 8.155 20.707 ( -4.946 -8.528 0.216) 9.861 20.711 ( -4.467 -8.597 -0.150) 9.689 20.855 ( -6.954 -3.180 2.345) 7.998 20.927 ( -6.832 -1.785 -5.061) 8.688 21.204 ( -5.422 0.954 7.062) 8.954 21.311 ( -5.112 1.495 -3.598) 6.428 21.682 ( 0.832 1.463 -0.158) 1.691 21.689 ( -0.258 1.420 -0.977) 1.743 21.772 ( 0.204 -0.427 2.591) 2.634 21.816 ( 0.314 -1.609 -1.734) 2.387 22.932 ( 24.857 -1.815 10.013) 26.860 23.222 ( 18.601 -0.826 -18.750) 26.424 24.105 ( -3.211 6.075 15.018) 16.516 24.309 ( 2.827 5.743 -5.268) 8.290 24.545 ( -1.552 -0.312 1.255) 2.020 24.620 ( 3.384 2.430 -5.394) 6.816 25.497 ( -5.774 1.738 2.803) 6.649 25.536 ( -5.793 1.502 -0.971) 6.063 ======================= Grid point 86 (29/50) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 18.881 -16.849 0.820) 25.319 2.051 ( 12.951 -6.426 -10.840) 18.070 2.426 ( 10.069 -0.229 1.824) 10.235 2.466 ( 8.540 0.797 -1.842) 8.772 2.831 ( 16.887 -29.142 13.444) 36.266 2.836 ( 12.821 -17.400 10.036) 23.830 3.022 ( 2.158 8.307 6.233) 10.607 3.173 ( 4.212 10.195 -5.249) 12.216 3.480 ( 11.019 -4.419 -5.275) 12.991 3.588 ( 18.961 -9.533 -9.820) 23.385 3.730 ( 6.457 -2.872 2.954) 7.660 3.761 ( 13.909 -1.380 3.374) 14.379 3.851 ( 17.160 2.186 -3.042) 17.564 3.877 ( 14.453 -3.596 -7.216) 16.550 4.064 ( 29.037 -9.254 -2.643) 30.590 4.160 ( 26.757 -8.927 -8.344) 29.415 4.351 ( 9.205 -6.776 7.357) 13.593 4.440 ( 15.363 -8.910 -3.311) 18.066 4.631 ( 10.078 -4.810 4.311) 11.971 4.711 ( 3.001 -7.522 -3.000) 8.637 4.897 ( 1.730 -5.065 6.811) 8.662 4.944 ( 1.264 3.366 2.578) 4.424 5.122 ( 3.313 -7.039 2.151) 8.071 5.150 ( 2.497 -3.236 -2.017) 4.558 5.277 ( 0.191 9.235 6.432) 11.256 5.404 ( -1.000 3.715 -5.733) 6.905 5.527 ( 6.912 -0.584 10.274) 12.397 5.716 ( -1.665 7.908 -3.785) 8.924 5.754 ( 1.637 -3.152 -2.697) 4.460 5.776 ( 3.869 0.832 -5.029) 6.400 5.922 ( 5.804 2.175 1.872) 6.475 5.992 ( 3.900 3.384 -4.425) 6.800 6.241 ( 1.170 0.087 2.903) 3.131 6.276 ( -7.305 1.524 1.671) 7.647 6.384 ( 0.814 3.174 -0.445) 3.307 6.425 ( -0.851 4.247 -2.525) 5.014 6.626 ( -0.669 2.326 0.559) 2.484 6.645 ( -0.835 0.514 0.296) 1.024 6.864 ( -0.093 1.029 2.083) 2.325 6.931 ( -1.585 -1.148 -2.637) 3.284 7.030 ( 0.984 0.686 1.588) 1.990 7.073 ( -0.945 3.253 -1.994) 3.931 7.171 ( -2.603 -1.226 8.407) 8.886 7.330 ( -6.033 0.493 -7.107) 9.335 7.462 ( -3.245 9.383 0.820) 9.962 7.499 ( -3.996 6.173 -2.468) 7.757 7.604 ( 2.441 -2.118 4.671) 5.680 7.698 ( 2.443 -3.730 -4.293) 6.190 7.770 ( 5.272 -2.915 5.648) 8.258 7.878 ( 3.719 -1.185 -4.665) 6.083 8.144 ( 3.195 7.492 1.726) 8.326 8.162 ( 4.487 7.704 -0.169) 8.917 8.486 ( -0.101 2.963 -0.520) 3.010 8.507 ( -0.804 1.503 -1.835) 2.504 8.682 ( -5.257 0.447 5.965) 7.963 8.824 ( -5.695 1.120 -8.156) 10.011 9.173 ( -7.073 -1.744 4.985) 8.827 9.247 ( -3.194 -2.917 -1.880) 4.716 9.743 ( -1.675 5.035 4.425) 6.909 9.854 ( -0.809 4.869 -5.323) 7.259 10.086 ( 5.937 -8.508 13.040) 16.663 10.359 ( 0.574 -4.922 -12.490) 13.437 10.614 ( -5.544 -0.943 3.132) 6.437 10.685 ( -3.644 -0.864 -4.048) 5.515 11.935 ( -14.931 -0.253 1.356) 14.995 11.968 ( -15.094 -0.517 -1.716) 15.200 12.094 ( -14.026 -2.176 2.587) 14.428 12.149 ( -14.998 -1.854 -2.695) 15.350 12.510 ( -2.643 1.100 5.798) 6.466 12.627 ( -2.304 0.379 -5.507) 5.982 13.028 ( -0.010 -1.978 6.092) 6.405 13.139 ( -0.219 -3.608 -4.479) 5.756 13.655 ( 7.093 -1.905 4.316) 8.519 13.723 ( 6.019 -3.963 -1.800) 7.428 13.806 ( 5.328 -4.200 2.376) 7.188 13.899 ( 3.511 -0.918 -6.594) 7.527 14.128 ( 2.046 2.784 2.962) 4.551 14.168 ( 1.907 5.101 -1.214) 5.579 14.715 ( -2.070 3.421 0.690) 4.058 14.729 ( -1.788 3.024 -0.651) 3.573 15.273 ( -6.635 -2.738 1.687) 7.374 15.312 ( -6.446 -1.416 -1.986) 6.892 15.438 ( -0.725 3.191 2.083) 3.879 15.479 ( -0.829 3.251 -1.765) 3.791 16.091 ( 1.522 -11.861 4.501) 12.777 16.190 ( -1.492 -12.500 -4.697) 13.436 16.896 ( 0.200 4.862 3.045) 5.740 16.963 ( -0.676 5.673 -3.254) 6.574 17.297 ( 6.608 -5.566 4.449) 9.718 17.397 ( 6.336 -5.526 -4.928) 9.745 18.577 ( 5.138 -5.064 0.200) 7.217 18.581 ( 5.491 -5.010 -0.208) 7.436 19.124 ( -4.617 9.927 3.967) 11.645 19.204 ( -8.588 9.508 -3.468) 13.274 20.261 ( 8.900 -3.403 0.786) 9.560 20.277 ( 8.911 -2.417 -0.689) 9.259 20.684 ( -6.034 -4.126 1.778) 7.522 20.736 ( -3.666 -5.474 -3.190) 7.320 20.848 ( -0.024 -4.321 1.587) 4.603 20.889 ( -0.317 -2.097 -2.879) 3.576 21.112 ( -4.270 0.522 5.588) 7.052 21.186 ( -7.080 1.432 -2.055) 7.510 21.607 ( -5.666 1.275 2.317) 6.253 21.665 ( -1.129 0.475 -2.992) 3.233 21.805 ( 1.832 -0.656 1.992) 2.785 21.844 ( 0.885 -0.730 -1.717) 2.066 23.249 ( 12.608 0.381 6.533) 14.205 23.440 ( 7.777 0.671 -12.585) 14.810 24.034 ( 0.686 1.940 14.594) 14.738 24.280 ( 0.835 2.458 -9.913) 10.247 24.551 ( 1.495 0.481 4.532) 4.796 24.645 ( 3.205 2.998 -4.473) 6.266 25.389 ( -4.964 0.767 2.674) 5.690 25.435 ( -4.473 0.617 -1.616) 4.796 ======================= Grid point 87 (30/50) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 8.558 -8.232 -2.058) 12.052 2.393 ( 10.692 -11.429 -8.723) 17.917 2.542 ( 3.769 0.116 0.550) 3.810 2.558 ( 3.256 0.614 -1.118) 3.496 2.871 ( -1.214 5.319 7.441) 9.227 3.003 ( -3.563 12.589 -5.788) 14.306 3.140 ( 5.686 -4.779 11.413) 13.617 3.347 ( -0.408 2.026 -9.792) 10.008 3.517 ( 6.944 -18.385 17.913) 26.591 3.845 ( 5.714 -6.208 -6.369) 10.571 3.873 ( -1.640 1.793 6.131) 6.595 3.972 ( 6.327 -2.093 4.051) 7.799 4.003 ( 1.152 -0.314 -13.478) 13.531 4.047 ( 6.845 -4.370 -3.338) 8.780 4.412 ( 2.472 -1.088 5.287) 5.937 4.526 ( 3.847 1.390 -3.676) 5.500 4.669 ( 10.410 -3.696 0.720) 11.070 4.719 ( -1.796 1.286 1.452) 2.644 4.763 ( 13.431 -1.267 -2.369) 13.697 4.787 ( 4.981 -2.789 -0.017) 5.709 5.003 ( 3.594 -2.030 4.834) 6.356 5.051 ( 7.887 -1.846 1.364) 8.214 5.202 ( 5.503 0.260 -3.125) 6.334 5.242 ( 1.262 -3.135 0.693) 3.450 5.333 ( 5.075 -5.256 -1.641) 7.488 5.339 ( -1.333 3.404 -6.023) 7.046 5.567 ( -3.432 4.118 3.726) 6.528 5.656 ( 1.841 0.607 -1.698) 2.577 5.819 ( 4.189 -1.018 -1.772) 4.661 5.880 ( 4.422 -0.276 -4.781) 6.519 5.998 ( 5.795 -0.979 2.537) 6.401 6.040 ( 6.211 -0.096 -1.211) 6.328 6.165 ( -4.961 -2.449 6.893) 8.838 6.244 ( 0.772 -0.194 0.834) 1.153 6.290 ( -4.374 6.054 0.313) 7.475 6.341 ( -2.920 6.028 -3.575) 7.593 6.620 ( 0.936 0.722 4.587) 4.737 6.651 ( 1.644 0.684 7.340) 7.553 6.787 ( -5.606 1.867 -1.716) 6.153 6.857 ( -1.323 3.606 -4.291) 5.759 6.971 ( -5.179 1.375 2.263) 5.817 7.022 ( -4.440 0.031 -0.733) 4.500 7.183 ( -3.484 -3.300 -1.983) 5.192 7.191 ( -0.287 -1.849 -2.795) 3.363 7.369 ( 0.678 3.543 0.758) 3.687 7.397 ( -0.579 4.182 -1.133) 4.371 7.712 ( 2.273 -4.687 3.503) 6.277 7.788 ( 1.205 -3.999 -3.544) 5.477 7.854 ( 2.292 0.053 2.036) 3.066 7.903 ( 0.293 2.649 -2.743) 3.825 8.094 ( -0.582 2.622 5.064) 5.733 8.161 ( 1.849 1.672 -1.242) 2.785 8.464 ( 1.052 1.742 -1.201) 2.363 8.482 ( 0.037 1.161 -2.532) 2.786 8.634 ( -0.538 0.189 4.068) 4.108 8.735 ( -3.564 0.030 -6.735) 7.620 9.084 ( -3.171 0.121 8.217) 8.809 9.223 ( -1.672 -0.589 -5.309) 5.597 9.673 ( -0.573 2.227 6.742) 7.123 9.807 ( -0.244 1.464 -5.713) 5.902 10.275 ( 6.532 -4.302 6.497) 10.168 10.392 ( -2.752 -0.993 -3.889) 4.866 10.542 ( -2.631 -0.460 2.711) 3.806 10.634 ( -2.340 0.135 -5.844) 6.297 11.755 ( -5.812 0.050 1.406) 5.980 11.790 ( -5.775 -0.055 -1.810) 6.052 11.929 ( -6.076 -0.478 2.134) 6.458 11.971 ( -6.341 -0.343 -1.780) 6.595 12.484 ( -0.347 0.124 5.516) 5.528 12.611 ( -0.372 -0.332 -6.629) 6.648 13.048 ( 0.030 -0.904 6.615) 6.677 13.168 ( -0.165 -1.470 -4.910) 5.128 13.760 ( 2.742 -0.889 4.135) 5.041 13.842 ( 2.824 -2.398 -3.200) 4.895 13.928 ( 2.967 -3.319 0.401) 4.470 13.947 ( 1.067 -0.371 -1.589) 1.949 14.110 ( -0.191 1.727 0.356) 1.774 14.114 ( -0.552 4.093 -0.118) 4.131 14.664 ( -0.476 1.351 1.244) 1.897 14.688 ( -0.222 1.117 -1.041) 1.542 15.214 ( -2.574 -0.797 1.312) 2.997 15.245 ( -2.564 -0.467 -1.566) 3.041 15.399 ( -0.533 1.064 1.861) 2.208 15.436 ( -0.607 1.144 -1.642) 2.091 16.232 ( 1.044 -5.671 3.470) 6.730 16.305 ( 0.161 -5.950 -3.342) 6.826 16.834 ( -0.429 3.159 2.420) 4.003 16.886 ( -0.655 3.417 -2.414) 4.235 17.427 ( 2.464 -2.299 4.136) 5.335 17.521 ( 2.304 -2.141 -4.484) 5.477 18.732 ( 4.754 -5.847 0.704) 7.569 18.747 ( 5.862 -5.897 -0.758) 8.350 18.938 ( -4.444 7.433 1.635) 8.813 18.971 ( -6.717 7.268 -1.477) 10.006 20.401 ( 3.321 -0.750 0.632) 3.463 20.408 ( 3.880 -1.672 -0.056) 4.225 20.642 ( -2.346 -0.951 2.593) 3.624 20.730 ( -1.260 -1.201 -6.348) 6.582 20.927 ( 2.378 -1.875 0.923) 3.166 20.934 ( 3.437 -0.572 -0.050) 3.484 21.051 ( -2.830 -0.121 1.538) 3.224 21.063 ( -5.810 -0.472 0.069) 5.829 21.505 ( -3.425 1.117 6.928) 7.809 21.644 ( -0.681 0.151 -5.905) 5.946 21.835 ( 0.754 -0.470 1.120) 1.430 21.859 ( 0.302 -0.064 -1.075) 1.119 23.375 ( 3.672 0.335 4.100) 5.515 23.498 ( 1.111 0.233 -8.133) 8.212 24.050 ( 1.686 0.498 12.190) 12.316 24.279 ( 0.829 0.642 -10.284) 10.337 24.567 ( 0.705 0.207 4.738) 4.794 24.653 ( 1.061 1.281 -3.648) 4.009 25.323 ( -2.005 0.171 2.949) 3.570 25.377 ( -1.715 0.153 -2.093) 2.711 ======================= Grid point 93 (31/50) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 25.150 0.000 19.104) 31.583 1.476 ( 15.462 0.000 19.930) 25.224 1.636 ( 24.244 0.000 1.219) 24.275 2.205 ( 14.710 0.000 3.503) 15.122 2.271 ( 11.891 0.000 -24.780) 27.485 2.329 ( 13.916 0.000 -3.194) 14.277 2.677 ( 61.008 0.000 -0.978) 61.016 2.683 ( 36.748 0.000 -1.587) 36.783 2.890 ( 49.436 0.000 2.339) 49.491 2.931 ( 35.299 0.000 -1.622) 35.336 3.375 ( 28.949 0.000 2.835) 29.088 3.387 ( 7.268 0.000 12.188) 14.190 3.578 ( 15.511 0.000 -12.941) 20.201 3.600 ( 9.346 0.000 3.296) 9.910 3.676 ( 7.787 0.000 -5.900) 9.770 3.754 ( 8.081 0.000 -16.004) 17.928 4.123 ( -1.055 -0.000 3.630) 3.780 4.267 ( 10.589 0.000 3.743) 11.231 4.307 ( 1.453 0.000 -4.429) 4.662 4.403 ( 8.813 0.000 -3.738) 9.573 4.688 ( -3.509 -0.000 8.923) 9.588 4.763 ( -1.519 -0.000 5.475) 5.682 4.953 ( 8.951 0.000 3.282) 9.534 5.043 ( 7.754 0.000 -5.716) 9.633 5.440 ( 3.043 0.000 7.326) 7.933 5.540 ( -3.212 -0.000 -1.834) 3.698 5.608 ( -3.487 -0.000 2.845) 4.501 5.635 ( -6.879 -0.000 1.997) 7.163 5.844 ( 7.702 0.000 1.153) 7.787 5.919 ( 6.436 0.000 -5.078) 8.198 5.997 ( 0.235 0.000 5.828) 5.833 6.053 ( 0.980 0.000 -1.223) 1.567 6.078 ( 0.386 0.000 6.201) 6.213 6.290 ( 3.296 0.000 -9.923) 10.456 6.388 ( 0.066 0.000 0.890) 0.892 6.439 ( 7.091 0.000 -4.127) 8.204 6.751 ( 2.529 0.000 0.556) 2.589 6.772 ( -3.533 -0.000 -1.678) 3.911 6.815 ( -12.751 -0.000 0.674) 12.769 6.829 ( -11.246 -0.000 -0.123) 11.246 7.110 ( -1.105 -0.000 5.579) 5.687 7.152 ( 6.962 0.000 7.306) 10.092 7.231 ( -2.363 -0.000 -5.903) 6.359 7.266 ( 6.613 0.000 -4.118) 7.790 7.546 ( 6.871 0.000 2.759) 7.405 7.615 ( 5.101 0.000 -2.537) 5.697 7.657 ( -6.928 -0.000 5.248) 8.691 7.763 ( -10.743 -0.000 -3.907) 11.431 7.813 ( 1.232 0.000 1.102) 1.653 7.856 ( 6.464 0.000 -4.293) 7.760 8.426 ( -3.394 -0.000 0.644) 3.455 8.439 ( -2.954 -0.000 -0.578) 3.010 8.559 ( -1.107 -0.000 0.850) 1.396 8.593 ( 0.759 0.000 -2.500) 2.612 8.827 ( 18.990 0.000 7.370) 20.370 8.839 ( -5.274 -0.000 6.106) 8.069 8.978 ( 8.690 0.000 -6.206) 10.679 8.979 ( -3.204 -0.000 -6.947) 7.650 9.777 ( -0.281 -0.000 12.817) 12.820 9.889 ( -1.125 -0.000 3.346) 3.530 10.036 ( -4.692 -0.000 -3.036) 5.589 10.236 ( 3.953 0.000 -25.780) 26.081 10.661 ( -3.733 -0.000 1.795) 4.142 10.702 ( -2.455 -0.000 -1.962) 3.142 12.180 ( -13.778 -0.000 0.107) 13.779 12.182 ( -12.584 -0.000 -0.011) 12.584 12.281 ( -18.111 -0.000 0.844) 18.131 12.310 ( -15.842 -0.000 -2.350) 16.015 12.675 ( -10.748 -0.000 9.411) 14.286 12.778 ( -9.366 -0.000 -2.137) 9.606 13.009 ( -1.356 -0.000 0.018) 1.356 13.019 ( -0.414 -0.000 -0.839) 0.936 13.483 ( 7.212 0.000 4.028) 8.261 13.501 ( 7.395 0.000 0.447) 7.408 13.630 ( 5.057 0.000 6.941) 8.588 13.814 ( 2.667 0.000 -8.958) 9.346 14.147 ( 2.841 0.000 4.644) 5.444 14.229 ( 4.393 0.000 -3.345) 5.522 14.820 ( -2.331 -0.000 0.509) 2.386 14.830 ( -2.762 -0.000 -0.425) 2.795 15.275 ( -4.885 -0.000 4.217) 6.453 15.364 ( -5.778 -0.000 -4.202) 7.145 15.582 ( 6.553 0.000 0.528) 6.574 15.598 ( 5.613 0.000 -1.100) 5.720 15.774 ( -6.813 -0.000 6.939) 9.725 15.927 ( -10.849 -0.000 -7.629) 13.263 16.810 ( 15.434 0.000 3.183) 15.759 16.914 ( 14.485 0.000 -7.578) 16.348 17.190 ( -0.396 -0.000 2.906) 2.933 17.229 ( -2.191 -0.000 -1.229) 2.512 18.396 ( 4.879 0.000 0.277) 4.887 18.403 ( 4.974 0.000 -0.363) 4.988 19.565 ( -14.499 -0.000 11.058) 18.235 19.746 ( -22.311 -0.000 -6.416) 23.215 19.940 ( 13.243 0.000 0.828) 13.268 19.956 ( 14.169 0.000 -0.674) 14.185 20.590 ( -1.679 -0.000 0.084) 1.681 20.592 ( -0.507 -0.000 -0.103) 0.517 20.813 ( -6.436 -0.000 2.874) 7.049 20.901 ( -4.829 -0.000 -6.103) 7.782 21.220 ( -4.733 -0.000 7.583) 8.939 21.335 ( -4.175 -0.000 -3.880) 5.700 21.717 ( -0.329 -0.000 -0.077) 0.337 21.718 ( -3.291 -0.000 -0.265) 3.301 21.762 ( 2.483 0.000 0.805) 2.610 21.776 ( -0.387 -0.000 -0.593) 0.708 22.917 ( 29.694 0.000 9.650) 31.222 23.213 ( 22.740 0.000 -20.120) 30.363 24.194 ( -10.982 -0.000 14.828) 18.452 24.394 ( -1.580 -0.000 -4.304) 4.585 24.541 ( -1.779 -0.000 1.277) 2.190 24.651 ( 5.817 0.000 -8.129) 9.996 25.527 ( -7.252 -0.000 3.133) 7.900 25.556 ( -7.458 -0.000 -0.158) 7.460 ======================= Grid point 94 (32/50) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 22.787 -5.195 12.149) 26.341 1.863 ( 16.477 -12.832 1.779) 20.960 2.148 ( 25.520 -11.799 6.220) 28.795 2.446 ( 10.178 -0.524 1.301) 10.274 2.463 ( 12.626 -2.240 -6.776) 14.503 2.528 ( 12.253 -4.447 -4.336) 13.737 3.153 ( 20.123 -0.221 7.292) 21.405 3.338 ( 18.312 0.466 -6.407) 19.406 3.493 ( 19.359 3.566 1.084) 19.714 3.573 ( 9.693 11.931 0.502) 15.380 3.708 ( 20.468 2.044 -2.704) 20.746 3.776 ( 22.297 1.644 -0.341) 22.360 3.792 ( 21.476 -0.737 -5.854) 22.271 3.885 ( 24.779 -3.278 -12.419) 27.911 3.947 ( 29.387 -6.420 2.421) 30.178 4.030 ( 18.619 -11.291 -7.489) 23.026 4.179 ( 11.494 3.192 6.202) 13.445 4.319 ( 11.346 2.302 -6.690) 13.371 4.543 ( 13.265 -2.390 6.661) 15.034 4.584 ( 12.343 -3.004 -0.098) 12.704 4.691 ( -0.765 -7.391 8.745) 11.475 4.820 ( 1.559 -8.451 1.685) 8.757 5.065 ( 3.894 0.617 1.860) 4.360 5.131 ( 1.683 0.514 -5.823) 6.083 5.442 ( -4.424 0.997 1.488) 4.773 5.472 ( -0.805 2.971 0.167) 3.083 5.556 ( 3.642 2.096 9.851) 10.710 5.654 ( 3.758 -3.572 -0.315) 5.194 5.834 ( -2.046 5.411 2.159) 6.174 5.923 ( -2.705 4.596 -4.372) 6.896 5.989 ( 3.421 2.072 3.418) 5.261 6.065 ( 3.922 2.452 -2.866) 5.441 6.159 ( 0.412 -4.681 6.478) 8.002 6.313 ( -2.708 -0.059 -7.028) 7.532 6.422 ( 0.661 0.562 1.772) 1.973 6.490 ( -2.149 0.677 -4.689) 5.202 6.591 ( -4.925 -0.217 3.550) 6.075 6.693 ( -1.485 -3.493 -6.153) 7.229 6.813 ( 2.677 -0.651 1.405) 3.092 6.850 ( 3.001 -0.424 -2.059) 3.664 7.093 ( -0.811 0.766 3.335) 3.517 7.121 ( -6.331 1.035 4.649) 7.922 7.222 ( -0.989 2.245 1.985) 3.156 7.347 ( 0.837 1.082 -6.522) 6.664 7.513 ( -10.530 0.694 0.329) 10.558 7.550 ( -7.375 -1.500 -3.279) 8.209 7.655 ( -0.540 -0.216 0.950) 1.114 7.667 ( 0.461 -1.268 0.184) 1.361 7.797 ( 5.007 5.766 7.429) 10.654 7.943 ( 6.953 5.192 -6.435) 10.804 8.305 ( -7.138 2.850 0.934) 7.743 8.319 ( -4.866 2.043 -0.242) 5.283 8.518 ( -0.991 2.305 1.207) 2.784 8.553 ( -1.057 3.735 -1.989) 4.362 8.749 ( -1.171 3.598 5.336) 6.542 8.886 ( -4.320 2.250 -7.685) 9.099 9.083 ( 2.317 -4.394 2.962) 5.783 9.131 ( 2.128 -5.881 -1.642) 6.466 9.834 ( -1.501 2.268 5.397) 6.044 9.889 ( 5.150 -4.658 9.889) 12.084 9.941 ( -3.583 0.168 1.738) 3.986 10.277 ( 2.304 -0.862 -18.643) 18.805 10.594 ( -4.561 -0.465 3.093) 5.531 10.664 ( -2.566 -0.652 -3.552) 4.430 11.928 ( -14.405 -0.071 0.950) 14.436 11.953 ( -14.296 -0.412 -1.462) 14.376 12.035 ( -12.081 -1.957 2.496) 12.490 12.093 ( -12.256 -2.021 -3.437) 12.888 12.539 ( -4.498 0.912 6.868) 8.260 12.641 ( -5.619 0.569 -3.218) 6.500 12.992 ( -0.172 -0.153 2.151) 2.163 13.040 ( -0.460 -3.495 -2.209) 4.160 13.603 ( 5.809 -1.492 3.456) 6.922 13.631 ( 5.900 -2.512 0.126) 6.414 13.730 ( 5.310 -1.705 3.559) 6.616 13.868 ( 2.590 -1.230 -8.846) 9.299 14.184 ( 2.194 1.456 5.711) 6.289 14.275 ( 2.637 2.640 -3.376) 5.032 14.767 ( -3.556 0.800 0.278) 3.655 14.773 ( -3.624 0.599 -0.277) 3.684 15.214 ( -3.668 -1.260 2.806) 4.787 15.278 ( -4.945 -0.667 -3.202) 5.929 15.573 ( -1.122 6.877 2.727) 7.483 15.624 ( 0.309 7.739 -2.076) 8.018 15.806 ( 2.958 -9.983 2.929) 10.817 15.873 ( -1.532 -11.750 -3.262) 12.291 17.010 ( 6.943 3.438 3.039) 8.322 17.077 ( 5.331 1.247 -3.152) 6.317 17.203 ( 3.112 -0.334 2.935) 4.290 17.275 ( 6.976 -3.825 -3.939) 8.877 18.496 ( 5.653 -1.539 0.405) 5.872 18.505 ( 6.079 -1.339 -0.410) 6.238 19.338 ( -8.308 5.769 3.862) 10.827 19.412 ( -12.728 5.675 -2.991) 14.253 20.181 ( 11.504 -2.433 1.414) 11.843 20.214 ( 12.739 -2.149 -1.695) 13.029 20.589 ( -0.612 -2.602 1.042) 2.869 20.614 ( 0.753 -3.072 -1.319) 3.428 20.774 ( 0.886 -1.508 3.287) 3.724 20.861 ( -0.057 -0.414 -5.610) 5.626 21.137 ( -4.511 1.001 6.485) 7.963 21.231 ( -6.941 1.389 -2.959) 7.672 21.622 ( -6.052 0.150 1.873) 6.337 21.674 ( -2.622 0.210 -3.103) 4.068 21.800 ( 2.154 0.075 1.776) 2.793 21.827 ( 2.779 -0.592 -0.917) 2.985 23.294 ( 16.566 2.065 6.134) 17.786 23.476 ( 9.616 1.369 -12.167) 15.569 24.062 ( -2.994 0.279 14.337) 14.649 24.302 ( -4.898 -0.195 -9.668) 10.840 24.564 ( 1.398 0.613 6.187) 6.373 24.702 ( 1.397 1.375 -7.104) 7.370 25.406 ( -6.368 0.573 2.369) 6.818 25.435 ( -6.510 -0.397 -0.552) 6.546 ======================= Grid point 95 (33/50) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 18.198 -9.492 2.587) 20.687 2.212 ( 13.367 -3.938 -8.831) 16.497 2.524 ( 3.750 -2.333 2.463) 5.057 2.563 ( 2.569 -0.284 -1.630) 3.055 2.840 ( 22.096 -20.709 14.179) 33.439 2.939 ( 17.550 -10.988 7.144) 21.904 3.215 ( 2.533 16.654 7.423) 18.409 3.405 ( 4.461 14.959 -9.173) 18.105 3.560 ( -4.472 5.953 -3.646) 8.290 3.719 ( 3.266 -0.910 -14.533) 14.923 3.835 ( 13.974 0.716 4.157) 14.597 3.951 ( 9.025 -2.961 -9.101) 13.155 3.994 ( 14.275 3.742 1.352) 14.819 4.074 ( 5.007 5.094 -5.164) 8.814 4.364 ( 8.111 -2.224 10.542) 13.485 4.550 ( 11.509 -1.454 -7.506) 13.817 4.658 ( 24.383 -1.289 2.226) 24.518 4.668 ( 19.957 -3.923 2.024) 20.439 4.725 ( 13.930 -0.849 -0.544) 13.966 4.772 ( 5.883 1.292 -1.325) 6.167 4.892 ( 11.816 -8.077 4.726) 15.073 4.985 ( 7.349 -6.455 -0.179) 9.783 5.090 ( -0.570 -2.347 1.813) 3.020 5.137 ( 0.601 -4.713 -1.879) 5.109 5.398 ( 0.760 5.774 1.161) 5.939 5.406 ( -0.986 0.718 -0.793) 1.455 5.625 ( 2.305 1.842 8.322) 8.830 5.717 ( -3.434 0.617 -3.035) 4.624 5.777 ( 2.354 -0.323 1.301) 2.708 5.856 ( 4.406 -0.267 -4.294) 6.158 6.005 ( -1.605 0.447 4.553) 4.849 6.081 ( 1.014 1.980 -2.446) 3.306 6.128 ( -5.835 -0.243 3.989) 7.072 6.224 ( -5.800 0.635 -5.469) 7.997 6.370 ( -2.916 -2.171 3.815) 5.270 6.462 ( -2.843 3.714 -4.815) 6.713 6.589 ( 0.483 -0.458 6.708) 6.741 6.716 ( 1.861 0.852 -4.879) 5.291 6.791 ( -11.879 2.192 4.572) 12.916 6.902 ( 0.491 0.154 -5.052) 5.078 6.998 ( -4.738 -3.553 1.028) 6.011 7.019 ( -6.525 0.946 -1.150) 6.693 7.121 ( -4.591 2.979 3.706) 6.609 7.196 ( -5.686 1.095 -3.475) 6.753 7.456 ( -3.884 1.222 0.238) 4.079 7.489 ( -2.878 0.952 -2.248) 3.774 7.598 ( 0.297 -1.818 3.688) 4.122 7.668 ( -0.425 -3.724 -3.159) 4.902 7.890 ( 7.667 2.332 4.370) 9.127 7.977 ( 3.964 3.705 -3.757) 6.599 8.154 ( -7.707 0.932 4.405) 8.926 8.231 ( -4.361 0.970 -2.747) 5.244 8.479 ( -1.403 1.140 -0.055) 1.809 8.493 ( -1.242 2.750 -1.225) 3.257 8.712 ( 1.779 4.199 2.445) 5.175 8.794 ( -1.660 2.699 -5.566) 6.404 9.102 ( -0.025 0.954 5.505) 5.587 9.191 ( 0.178 -1.979 -3.016) 3.611 9.734 ( -4.818 2.373 4.622) 7.085 9.831 ( -5.100 -0.206 -4.235) 6.633 10.153 ( 12.099 -4.826 9.343) 16.030 10.351 ( 3.558 -1.512 -8.852) 9.659 10.527 ( -3.334 -0.486 4.347) 5.499 10.632 ( -1.822 -0.257 -5.461) 5.762 11.749 ( -6.285 -0.351 1.155) 6.400 11.778 ( -6.225 -0.645 -1.536) 6.444 11.912 ( -4.209 -1.014 2.197) 4.855 11.959 ( -4.803 -0.770 -2.212) 5.344 12.489 ( -1.114 0.331 4.803) 4.942 12.586 ( -1.849 -1.262 -4.309) 4.856 13.004 ( 0.104 -1.692 3.995) 4.340 13.083 ( -0.309 -4.361 -3.329) 5.495 13.701 ( 2.081 -2.969 3.833) 5.276 13.751 ( 3.579 -3.661 -0.758) 5.176 13.842 ( 4.424 -3.071 1.281) 5.535 13.920 ( 1.007 -1.997 -6.439) 6.817 14.171 ( -0.811 2.802 4.780) 5.600 14.244 ( -0.627 4.974 -2.599) 5.647 14.692 ( -3.759 0.826 0.660) 3.905 14.706 ( -3.450 0.260 -0.604) 3.512 15.184 ( -1.284 -0.960 1.778) 2.394 15.224 ( -2.044 -0.598 -2.018) 2.934 15.482 ( -0.604 4.628 2.053) 5.099 15.523 ( -1.120 4.995 -1.782) 5.420 16.008 ( 5.359 -9.766 2.268) 11.369 16.056 ( 4.199 -11.156 -2.165) 12.115 16.995 ( 1.970 7.596 2.791) 8.329 17.058 ( 1.582 7.606 -3.092) 8.362 17.345 ( 6.117 -4.072 4.665) 8.704 17.447 ( 6.255 -3.543 -4.848) 8.671 18.617 ( 5.339 -3.005 0.919) 6.195 18.637 ( 6.673 -2.755 -0.935) 7.280 19.135 ( -6.495 7.203 1.294) 9.785 19.161 ( -8.420 6.913 -1.089) 10.948 20.360 ( 6.704 -1.858 1.264) 7.071 20.392 ( 6.160 -0.259 -1.632) 6.378 20.622 ( 1.822 -0.646 2.199) 2.928 20.682 ( 2.459 -2.432 -3.745) 5.098 20.861 ( 4.893 -2.315 2.533) 5.977 20.912 ( 4.257 -1.152 -2.852) 5.252 21.058 ( -2.360 1.117 3.112) 4.063 21.097 ( -4.893 1.914 -0.960) 5.341 21.523 ( -4.903 0.371 5.141) 7.114 21.639 ( -1.638 -0.408 -5.669) 5.915 21.833 ( 1.807 0.174 2.113) 2.786 21.867 ( 1.880 0.463 -1.267) 2.314 23.440 ( 6.416 4.310 3.336) 8.419 23.539 ( 2.590 2.338 -6.425) 7.311 24.061 ( 1.077 0.119 10.495) 10.550 24.262 ( -2.351 -2.039 -9.123) 9.639 24.552 ( -2.386 -0.526 6.292) 6.750 24.678 ( -2.294 0.609 -5.924) 6.382 25.317 ( -3.563 -0.366 2.671) 4.469 25.360 ( -3.559 -1.338 -1.420) 4.058 ======================= Grid point 96 (34/50) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 6.975 -2.519 -1.514) 7.569 2.454 ( 7.216 -5.661 -6.234) 11.090 2.543 ( -3.103 -0.280 0.004) 3.116 2.559 ( -1.453 -1.143 -2.123) 2.815 2.974 ( -2.202 16.265 6.300) 17.581 3.119 ( -7.752 19.448 -7.293) 22.170 3.222 ( 6.881 0.946 11.049) 13.051 3.405 ( 1.355 8.183 -5.249) 9.816 3.463 ( 14.746 -20.037 19.083) 31.354 3.847 ( 3.316 -6.220 -11.880) 13.814 3.934 ( 2.759 6.399 5.972) 9.177 4.021 ( -2.703 5.653 2.821) 6.872 4.078 ( 5.239 1.317 -8.517) 10.086 4.175 ( 6.076 4.962 -3.395) 8.548 4.468 ( 2.856 2.517 1.424) 4.064 4.532 ( -6.488 4.533 -4.541) 9.124 4.682 ( -0.234 -0.745 -0.815) 1.128 4.724 ( -2.822 2.083 -3.671) 5.078 4.871 ( -0.898 4.435 3.473) 5.704 4.933 ( -0.806 6.880 -2.343) 7.312 5.071 ( 4.327 3.370 6.305) 8.357 5.126 ( 0.266 5.023 2.706) 5.712 5.223 ( 3.845 -7.346 4.144) 9.269 5.291 ( 5.049 -6.531 -2.974) 8.774 5.308 ( 0.601 0.628 -1.127) 1.423 5.337 ( -5.913 5.382 -4.694) 9.272 5.527 ( -7.051 3.025 2.701) 8.134 5.638 ( -3.719 -2.578 -7.259) 8.554 5.865 ( -3.814 4.258 3.045) 6.477 5.927 ( -3.968 0.246 -0.437) 4.000 5.970 ( -0.809 -6.871 5.000) 8.537 6.045 ( -6.466 2.027 2.558) 7.243 6.082 ( 0.983 -2.269 -0.827) 2.607 6.152 ( -4.049 -5.771 -8.275) 10.871 6.266 ( -7.416 2.680 1.638) 8.054 6.315 ( -3.565 0.992 -1.930) 4.173 6.559 ( -5.458 -5.198 12.076) 14.235 6.596 ( -3.034 0.010 7.621) 8.203 6.760 ( 2.820 -0.885 -4.961) 5.775 6.783 ( -5.990 -0.123 -5.691) 8.263 6.987 ( 1.966 1.773 1.616) 3.102 7.049 ( 5.225 -0.866 -3.353) 6.269 7.099 ( -0.630 -4.236 2.535) 4.977 7.177 ( 1.724 -2.229 -4.600) 5.394 7.377 ( -3.025 1.421 1.152) 3.535 7.399 ( -3.694 2.561 -0.687) 4.547 7.690 ( 2.521 -4.437 2.298) 5.597 7.746 ( 1.598 -5.067 -3.068) 6.136 7.932 ( 1.055 4.672 2.167) 5.257 7.971 ( 0.714 4.245 -1.395) 4.525 8.046 ( -4.375 -1.172 5.202) 6.898 8.152 ( -3.586 -0.170 -4.345) 5.637 8.418 ( -5.062 -0.021 -0.303) 5.072 8.425 ( -4.837 -0.218 -0.465) 4.864 8.696 ( 2.839 3.113 3.419) 5.426 8.800 ( 5.898 3.550 -6.357) 9.370 9.107 ( 3.426 1.774 6.599) 7.644 9.221 ( 2.330 -0.590 -4.667) 5.249 9.639 ( -4.666 -0.473 6.307) 7.860 9.770 ( -3.676 -1.759 -5.893) 7.165 10.355 ( -2.099 2.375 4.727) 5.692 10.385 ( 9.574 -1.286 1.464) 9.770 10.542 ( 3.486 -0.413 0.581) 3.558 10.626 ( 1.805 -0.402 -6.434) 6.694 11.746 ( 5.295 -0.587 1.340) 5.494 11.778 ( 5.308 -0.812 -1.706) 5.634 11.940 ( 7.190 0.229 2.001) 7.467 11.979 ( 7.109 0.184 -1.655) 7.301 12.481 ( -0.018 -0.138 4.819) 4.821 12.591 ( -0.314 -1.824 -5.627) 5.923 13.030 ( 0.127 -1.892 5.439) 5.760 13.133 ( 0.032 -3.836 -4.235) 5.714 13.731 ( -3.079 -2.799 4.121) 5.856 13.818 ( -1.551 -3.144 -3.753) 5.136 13.943 ( 2.855 -2.431 -0.130) 3.752 13.952 ( 0.498 -1.577 -1.557) 2.272 14.090 ( -3.921 3.118 3.537) 6.132 14.148 ( -2.816 4.582 -2.246) 5.828 14.632 ( -3.203 -1.042 1.184) 3.570 14.656 ( -3.178 -1.376 -0.995) 3.603 15.204 ( 2.260 -1.026 1.241) 2.775 15.232 ( 1.808 -0.981 -1.415) 2.497 15.444 ( 2.325 3.783 1.613) 4.724 15.477 ( 1.972 3.580 -1.448) 4.336 16.197 ( 4.175 -6.709 2.517) 8.293 16.250 ( 4.012 -7.949 -2.382) 9.217 16.921 ( 1.714 8.483 2.915) 9.132 16.984 ( 2.378 8.875 -2.919) 9.640 17.448 ( 2.148 -0.699 4.318) 4.873 17.545 ( 2.216 -0.252 -4.580) 5.094 18.743 ( 3.879 -4.330 2.108) 6.184 18.791 ( 6.126 -3.702 -2.293) 7.517 18.945 ( -5.215 7.059 0.475) 8.789 18.953 ( -5.739 6.753 -0.314) 8.868 20.427 ( -0.890 1.296 0.633) 1.695 20.437 ( -0.045 0.562 -0.201) 0.598 20.672 ( 5.338 1.489 2.145) 5.943 20.744 ( 3.823 0.079 -5.169) 6.430 20.913 ( -0.477 -1.307 2.157) 2.567 20.951 ( -0.685 -0.410 -2.015) 2.167 21.079 ( 6.033 2.055 2.004) 6.681 21.102 ( 6.777 1.745 -0.567) 7.021 21.477 ( 0.133 -0.908 7.598) 7.653 21.630 ( -0.386 -0.908 -6.644) 6.717 21.851 ( 0.939 0.767 1.512) 1.938 21.879 ( 0.976 1.403 -1.112) 2.039 23.430 ( -0.644 4.479 3.756) 5.881 23.539 ( 1.275 3.316 -6.986) 7.837 24.047 ( -2.804 0.195 10.157) 10.539 24.242 ( -3.940 -2.470 -8.984) 10.116 24.514 ( -4.442 -3.309 5.920) 8.108 24.624 ( -4.272 -1.269 -4.795) 6.546 25.303 ( 0.598 -1.320 2.644) 3.015 25.351 ( 0.032 -1.867 -1.834) 2.617 ======================= Grid point 97 (35/50) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -9.206 10.479 -0.227) 13.951 2.383 ( -11.884 12.250 -6.647) 18.316 2.438 ( -7.700 5.365 -1.783) 9.552 2.448 ( -9.190 3.451 -1.877) 9.995 2.868 ( 0.584 2.554 6.798) 7.285 2.952 ( 3.771 -5.025 -2.215) 6.662 3.177 ( -1.678 11.099 8.518) 14.091 3.359 ( -1.135 4.810 -9.448) 10.663 3.597 ( -10.884 10.698 9.707) 18.087 3.713 ( -17.277 1.021 0.128) 17.307 3.885 ( -11.917 7.775 7.643) 16.152 3.942 ( -3.194 8.172 -2.324) 9.077 4.011 ( -3.991 11.681 -3.881) 12.940 4.055 ( -4.112 6.130 -5.122) 8.985 4.304 ( -10.345 -1.625 8.315) 13.372 4.436 ( -13.568 15.433 1.369) 20.595 4.465 ( -17.437 8.089 -5.477) 19.987 4.587 ( -6.278 0.795 -8.687) 10.747 4.750 ( -4.819 4.389 5.651) 8.626 4.809 ( -12.786 7.350 8.276) 16.911 4.878 ( 2.218 -2.212 -4.764) 5.702 4.990 ( -4.028 6.091 -6.364) 9.686 5.143 ( -3.230 3.007 4.682) 6.434 5.259 ( -2.830 2.279 -0.339) 3.649 5.293 ( -2.200 3.060 -0.787) 3.850 5.334 ( -1.236 2.667 -7.984) 8.508 5.556 ( 3.063 -5.395 4.753) 7.815 5.592 ( -6.859 2.862 5.445) 9.213 5.719 ( -4.090 -4.917 -5.502) 8.436 5.784 ( -6.081 -0.660 -8.836) 10.746 5.908 ( -5.006 -0.490 2.782) 5.748 5.947 ( -3.006 1.250 -1.114) 3.441 6.159 ( -0.540 -7.070 3.167) 7.766 6.255 ( 1.474 -2.592 0.784) 3.083 6.267 ( 2.831 -5.034 -0.163) 5.778 6.310 ( 1.615 -1.200 1.391) 2.446 6.574 ( -0.704 -0.996 5.029) 5.175 6.595 ( -0.979 -6.184 6.354) 8.921 6.749 ( -1.453 -3.833 -1.966) 4.546 6.804 ( -1.100 -4.677 -5.123) 7.024 7.051 ( 0.916 -0.232 3.006) 3.151 7.106 ( 3.923 0.977 1.717) 4.393 7.207 ( 1.271 -5.039 -2.578) 5.801 7.258 ( 2.856 -3.002 -3.375) 5.344 7.293 ( -3.233 -1.817 1.928) 4.180 7.357 ( 1.854 -0.590 -3.425) 3.939 7.705 ( -4.279 2.827 3.731) 6.342 7.782 ( -2.523 1.269 -3.325) 4.362 7.870 ( -1.034 3.804 1.962) 4.403 7.905 ( -1.564 0.416 -1.698) 2.346 8.006 ( -4.168 -2.752 4.415) 6.666 8.088 ( -3.920 2.266 -3.259) 5.579 8.365 ( -3.305 -5.228 0.360) 6.195 8.390 ( -2.877 -5.710 -1.233) 6.512 8.736 ( 6.368 3.295 4.658) 8.550 8.862 ( 6.207 3.282 -7.394) 10.196 9.190 ( 7.779 0.219 5.709) 9.652 9.284 ( 4.337 0.331 -3.216) 5.409 9.608 ( -2.588 -5.143 5.630) 8.052 9.748 ( -2.983 -3.719 -7.436) 8.833 10.258 ( -3.111 5.155 11.267) 12.774 10.469 ( 2.356 3.645 -8.595) 9.629 10.632 ( 7.233 0.455 2.969) 7.832 10.701 ( 5.496 0.386 -3.922) 6.763 11.931 ( 15.218 -0.576 1.508) 15.304 11.966 ( 15.422 -0.616 -1.809) 15.540 12.134 ( 15.703 1.079 2.345) 15.914 12.179 ( 16.470 0.741 -1.937) 16.600 12.491 ( 1.229 -0.488 5.085) 5.254 12.611 ( 0.444 -1.294 -6.360) 6.505 13.049 ( 0.035 -0.693 6.675) 6.711 13.170 ( 0.168 -1.603 -4.913) 5.171 13.664 ( -7.903 -1.371 4.289) 9.096 13.766 ( -7.389 -1.087 -5.450) 9.246 13.924 ( -4.351 4.793 1.663) 6.684 13.945 ( -1.544 3.080 -0.591) 3.496 14.035 ( -1.959 -3.597 2.043) 4.577 14.079 ( -2.563 -1.877 -2.030) 3.770 14.619 ( -1.599 -3.738 1.066) 4.203 14.641 ( -1.966 -3.633 -0.911) 4.230 15.278 ( 4.137 -1.710 0.940) 4.574 15.300 ( 3.654 -1.858 -1.115) 4.248 15.465 ( 5.986 4.229 1.651) 7.513 15.498 ( 5.852 3.642 -1.476) 7.049 16.284 ( 1.486 1.377 3.623) 4.151 16.362 ( 2.458 -0.713 -3.638) 4.448 16.868 ( 2.254 4.730 3.383) 6.237 16.939 ( 3.534 5.785 -3.267) 7.525 17.424 ( -2.611 4.094 4.244) 6.449 17.521 ( -2.301 4.046 -4.703) 6.617 18.734 ( -4.240 6.745 0.450) 7.980 18.743 ( -4.613 7.499 -0.440) 8.815 18.907 ( 2.155 -6.604 4.053) 8.042 18.995 ( 6.228 -6.832 -4.105) 10.115 20.333 ( -6.954 2.357 0.491) 7.359 20.340 ( -7.592 2.780 -0.065) 8.085 20.774 ( 9.947 3.220 1.268) 10.532 20.828 ( 7.758 2.149 -4.339) 9.145 20.945 ( 3.926 1.935 0.599) 4.418 20.957 ( 3.668 2.715 -0.791) 4.632 21.130 ( 3.734 2.401 5.434) 7.017 21.196 ( 6.916 2.247 -1.590) 7.443 21.555 ( 5.028 -2.731 3.933) 6.943 21.646 ( 0.461 -1.165 -4.272) 4.452 21.838 ( -0.735 1.869 1.477) 2.493 21.870 ( 0.264 1.561 -1.533) 2.203 23.304 ( -7.991 4.860 5.820) 11.016 23.472 ( -5.165 3.475 -10.975) 12.618 23.986 ( -4.375 -1.585 12.378) 13.224 24.196 ( -5.860 -3.924 -8.467) 11.019 24.494 ( -3.568 -4.668 4.082) 7.155 24.574 ( -4.353 -2.555 -3.503) 6.144 25.360 ( 3.629 -1.692 2.152) 4.546 25.401 ( 2.802 -2.097 -1.648) 3.868 ======================= Grid point 98 (36/50) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -15.360 23.962 0.869) 28.476 1.974 ( -10.337 13.736 -7.447) 18.735 2.211 ( -14.835 0.679 1.543) 14.930 2.266 ( -13.784 -1.376 -2.539) 14.083 2.805 ( -33.245 15.264 4.244) 36.827 2.858 ( -24.575 15.789 -0.520) 29.214 2.916 ( -3.599 5.117 5.380) 8.251 3.022 ( -2.837 -1.494 -4.108) 5.211 3.205 ( -23.053 7.896 9.595) 26.189 3.391 ( -23.367 14.760 8.503) 28.917 3.463 ( -10.404 15.433 -4.714) 19.199 3.519 ( -20.622 14.006 2.479) 25.052 3.604 ( -24.102 16.495 3.363) 29.399 3.768 ( -11.944 7.322 -9.786) 17.089 3.892 ( -9.845 4.509 -9.192) 14.204 4.042 ( -6.433 17.494 -17.939) 25.870 4.326 ( 0.176 5.123 8.018) 9.516 4.462 ( -0.115 11.720 -3.707) 12.293 4.580 ( -4.745 8.248 13.571) 16.574 4.810 ( -2.427 3.823 -6.865) 8.224 4.824 ( 1.968 -2.246 9.281) 9.749 4.958 ( -0.392 3.089 0.804) 3.216 5.084 ( -4.696 -1.775 8.336) 9.731 5.153 ( -3.871 5.301 0.508) 6.584 5.240 ( 1.118 0.583 -0.915) 1.558 5.351 ( 1.409 -7.707 -10.188) 12.853 5.460 ( -1.923 1.775 9.462) 9.817 5.635 ( -0.916 -4.277 -3.179) 5.408 5.679 ( -3.954 -1.902 -1.698) 4.705 5.757 ( -1.458 0.873 -6.523) 6.740 5.861 ( -1.172 1.769 1.040) 2.363 5.926 ( 0.265 -1.807 -3.930) 4.333 6.170 ( -4.479 -1.874 2.147) 5.309 6.266 ( -4.585 -1.631 -6.424) 8.059 6.383 ( 3.028 -5.005 4.046) 7.113 6.402 ( 5.337 -3.669 2.158) 6.826 6.599 ( 2.058 -2.022 3.867) 4.825 6.668 ( 2.167 -4.492 -0.313) 4.997 6.782 ( -2.897 -5.403 1.847) 6.403 6.860 ( -2.915 -9.072 -2.663) 9.893 7.021 ( -1.705 1.012 1.855) 2.715 7.050 ( -4.134 2.172 -1.579) 4.930 7.185 ( -3.269 2.135 7.676) 8.612 7.340 ( -0.362 -3.401 -5.172) 6.201 7.380 ( 1.594 -8.318 1.658) 8.631 7.476 ( 3.430 -5.832 -5.958) 9.015 7.549 ( -7.317 1.451 4.249) 8.585 7.647 ( -8.212 1.563 -4.757) 9.618 7.772 ( -3.003 5.551 5.607) 8.442 7.873 ( -2.844 2.741 -4.585) 6.052 8.007 ( -1.731 -1.230 1.762) 2.760 8.021 ( -0.344 -3.442 0.082) 3.460 8.410 ( -1.359 -6.422 0.555) 6.588 8.438 ( -1.232 -6.199 -1.433) 6.481 8.825 ( 7.649 1.718 4.398) 8.989 8.934 ( 5.740 1.152 -5.859) 8.283 9.314 ( 5.016 0.564 2.605) 5.680 9.358 ( 6.927 1.260 -0.068) 7.041 9.678 ( 0.352 -7.306 1.748) 7.521 9.765 ( -2.081 -6.317 -5.455) 8.602 10.127 ( -2.449 8.233 15.253) 17.505 10.429 ( 0.434 5.794 -13.466) 14.666 10.730 ( 5.877 2.118 1.869) 6.520 10.772 ( 4.424 2.008 -2.308) 5.379 12.237 ( 19.802 0.189 1.947) 19.899 12.278 ( 20.308 0.548 -2.006) 20.414 12.357 ( 10.255 2.165 4.723) 11.496 12.453 ( 15.450 2.518 -4.327) 16.241 12.588 ( 11.355 -1.603 3.269) 11.924 12.662 ( 5.213 -2.223 -4.098) 6.994 13.047 ( -0.017 0.928 6.961) 7.023 13.168 ( -0.794 1.443 -4.646) 4.929 13.508 ( -11.571 -0.310 4.948) 12.588 13.616 ( -10.583 0.339 -5.067) 11.738 13.762 ( -7.307 4.914 3.642) 9.529 13.849 ( -4.579 2.757 -5.173) 7.439 14.036 ( -3.364 -3.349 2.383) 5.311 14.069 ( -3.446 -3.253 -1.002) 4.843 14.676 ( 0.739 -6.545 0.655) 6.620 14.690 ( 0.523 -6.409 -0.612) 6.459 15.364 ( 2.205 -2.665 0.618) 3.514 15.378 ( 1.699 -2.712 -0.765) 3.290 15.541 ( 10.732 6.274 2.206) 12.625 15.585 ( 10.719 4.757 -1.949) 11.887 16.211 ( -1.236 9.841 6.067) 11.627 16.352 ( 1.658 7.089 -7.083) 10.157 16.878 ( 1.570 0.169 3.925) 4.231 16.958 ( 2.616 0.769 -3.662) 4.565 17.268 ( -6.352 7.840 4.571) 11.077 17.374 ( -6.040 7.704 -5.389) 11.175 18.577 ( -3.695 7.006 0.189) 7.923 18.582 ( -3.485 7.232 -0.310) 8.033 19.045 ( 1.291 -10.549 7.641) 13.089 19.203 ( 5.727 -10.393 -7.117) 13.837 20.164 ( -7.405 3.663 0.681) 8.289 20.173 ( -7.035 2.990 -0.248) 7.648 20.911 ( 12.477 5.519 0.850) 13.670 20.938 ( 10.335 7.251 -1.284) 12.690 20.980 ( 4.750 5.360 -0.519) 7.180 20.985 ( 8.230 6.229 -0.951) 10.365 21.189 ( 5.858 -0.015 6.519) 8.764 21.288 ( 6.010 0.099 -3.201) 6.810 21.647 ( -0.405 -1.693 -0.074) 1.742 21.661 ( 0.418 -0.988 -1.335) 1.713 21.790 ( -1.578 1.568 3.159) 3.864 21.849 ( -0.571 1.369 -2.431) 2.848 23.029 ( -16.795 6.174 8.687) 19.891 23.270 ( -13.393 3.453 -15.093) 20.472 23.957 ( -4.328 -5.224 13.015) 14.677 24.149 ( -7.408 -6.693 -6.098) 11.699 24.520 ( 0.290 -4.221 0.580) 4.271 24.548 ( -1.824 -1.995 -1.858) 3.280 25.453 ( 4.368 -1.974 1.871) 5.146 25.487 ( 3.902 -2.402 -1.331) 4.771 ======================= Grid point 99 (37/50) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -11.038 22.659 12.464) 28.118 1.640 ( -35.503 9.332 0.029) 36.709 1.739 ( -21.348 11.837 -11.290) 26.895 1.890 ( -38.385 7.522 -9.638) 40.285 2.031 ( -23.361 8.634 4.649) 25.336 2.190 ( -12.057 3.547 -7.625) 14.700 2.579 ( -8.952 46.887 15.077) 50.058 2.628 ( -6.279 26.480 10.044) 29.009 2.873 ( -12.709 14.667 7.813) 20.921 2.940 ( -16.608 20.261 -1.254) 26.228 3.030 ( -17.472 11.798 10.415) 23.515 3.105 ( -2.930 -5.967 0.179) 6.650 3.260 ( -4.767 -3.743 -9.633) 11.381 3.436 ( -12.405 8.095 -22.672) 27.082 3.837 ( -0.621 6.724 -7.214) 9.881 3.943 ( 0.537 -5.821 -12.981) 14.237 4.244 ( 2.073 10.208 4.335) 11.282 4.304 ( 1.068 14.142 4.026) 14.743 4.368 ( -4.998 11.242 8.959) 15.220 4.584 ( -4.442 14.203 -8.188) 16.985 4.854 ( -0.398 3.957 10.924) 11.625 4.874 ( -3.622 3.080 5.514) 7.281 4.997 ( -2.853 5.128 0.122) 5.870 5.011 ( -4.015 5.308 -1.544) 6.832 5.378 ( -0.177 -5.963 11.842) 13.260 5.425 ( 4.907 -9.280 6.172) 12.177 5.534 ( 0.527 -3.808 -0.879) 3.943 5.596 ( -5.844 -0.383 -1.875) 6.150 5.693 ( 1.469 -4.698 -3.963) 6.320 5.750 ( 0.950 0.097 -11.815) 11.853 5.836 ( 2.192 -0.135 6.629) 6.984 5.981 ( 2.268 -2.431 -6.156) 6.997 6.072 ( -6.971 0.742 -0.026) 7.011 6.167 ( -6.739 -0.414 -7.312) 9.952 6.466 ( 3.633 -0.131 3.417) 4.989 6.517 ( 4.427 -0.299 -1.596) 4.716 6.666 ( -0.457 -1.548 3.274) 3.650 6.739 ( -1.748 -1.117 -3.446) 4.022 6.781 ( -3.997 -7.703 7.049) 11.180 6.890 ( -5.956 -6.542 -3.221) 9.415 6.970 ( -3.471 -2.676 5.932) 7.376 7.051 ( 3.625 -5.160 -2.620) 6.829 7.153 ( 1.134 -2.102 5.754) 6.230 7.296 ( -2.247 0.675 -7.094) 7.472 7.442 ( -4.041 -1.085 3.267) 5.309 7.476 ( -3.887 1.241 1.157) 4.241 7.546 ( -1.670 -5.974 -1.605) 6.407 7.575 ( -1.611 -6.726 -3.208) 7.624 7.676 ( -4.100 0.187 3.735) 5.549 7.763 ( -4.142 4.104 -4.655) 7.461 8.000 ( -1.339 -1.481 4.512) 4.934 8.080 ( 1.566 -2.527 -3.142) 4.326 8.469 ( -0.547 -6.047 0.516) 6.094 8.492 ( -0.565 -5.253 -1.130) 5.403 8.929 ( 5.238 0.029 3.626) 6.371 9.014 ( 3.814 -0.323 -4.289) 5.748 9.359 ( 2.858 5.148 1.871) 6.178 9.404 ( 3.689 7.910 -1.212) 8.812 9.747 ( -0.240 -4.722 4.185) 6.315 9.837 ( -1.262 -7.798 -3.453) 8.622 9.998 ( -0.582 6.888 13.080) 14.794 10.341 ( -0.769 8.043 -18.759) 20.425 10.773 ( 2.947 2.893 1.095) 4.273 10.797 ( 2.160 2.776 -1.293) 3.748 12.412 ( 2.975 1.035 6.492) 7.215 12.507 ( 9.775 4.696 -1.878) 11.006 12.615 ( 15.981 1.466 -2.518) 16.245 12.626 ( 16.878 0.985 -2.353) 17.070 12.847 ( 13.683 0.424 2.771) 13.967 12.873 ( 13.003 -2.035 -0.226) 13.163 13.037 ( 1.279 0.783 3.678) 3.972 13.106 ( -3.265 2.297 -2.795) 4.873 13.307 ( -12.553 -1.552 7.090) 14.500 13.420 ( -11.589 0.432 -3.834) 12.214 13.568 ( -8.592 3.989 6.760) 11.638 13.751 ( -4.068 -0.056 -10.412) 11.179 14.015 ( -2.935 -2.573 2.787) 4.796 14.051 ( -3.107 -3.608 -1.094) 4.885 14.794 ( 2.028 -8.020 0.594) 8.294 14.808 ( 2.143 -8.243 -0.617) 8.539 15.408 ( -0.304 -2.105 0.326) 2.152 15.415 ( -0.694 -2.071 -0.329) 2.209 15.651 ( 13.382 10.368 4.835) 17.605 15.733 ( 14.157 5.458 -2.930) 15.453 16.027 ( -5.243 9.870 7.597) 13.514 16.255 ( -1.699 9.339 -13.957) 16.879 16.835 ( -4.090 8.009 4.288) 9.963 16.925 ( -4.465 7.062 -4.946) 9.710 17.117 ( -1.815 0.148 4.080) 4.468 17.196 ( -2.871 3.098 -3.983) 5.806 18.445 ( -2.218 6.038 0.268) 6.438 18.452 ( -1.917 6.273 -0.433) 6.574 19.215 ( 0.770 -14.649 11.675) 18.748 19.427 ( 2.472 -13.228 -8.630) 15.987 20.029 ( -2.535 3.557 2.956) 5.274 20.078 ( -0.112 0.305 -1.740) 1.770 20.927 ( 3.960 11.553 2.002) 12.376 20.971 ( 8.819 10.503 -2.301) 13.906 21.074 ( 14.179 4.667 3.153) 15.257 21.142 ( 14.479 3.301 -3.829) 15.336 21.318 ( 8.915 0.234 4.390) 9.940 21.385 ( 4.945 0.176 -2.212) 5.420 21.587 ( -8.417 -1.027 0.723) 8.511 21.608 ( -7.968 0.107 -1.153) 8.052 21.768 ( -1.879 -0.753 2.167) 2.965 21.818 ( -1.807 0.559 -2.480) 3.119 22.601 ( -20.418 10.953 12.966) 26.551 22.958 ( -15.630 6.943 -22.325) 28.123 23.959 ( -6.070 -9.525 13.554) 17.643 24.119 ( -6.635 -8.183 -3.533) 11.112 24.564 ( 1.303 -1.407 0.814) 2.083 24.606 ( 3.507 -3.525 -2.912) 5.762 25.545 ( 3.064 -2.625 2.370) 4.679 25.583 ( 3.115 -3.105 -1.177) 4.553 ======================= Grid point 100 (38/50) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.000 20.088 17.731) 26.794 0.996 ( -0.000 18.040 24.917) 30.762 1.213 ( -0.000 15.665 -17.897) 23.785 1.542 ( -0.000 12.641 -27.893) 30.624 1.833 ( -0.000 2.948 10.853) 11.247 1.890 ( -0.000 48.501 26.831) 55.428 2.066 ( -0.000 2.101 -10.884) 11.085 2.274 ( -0.000 17.876 -4.301) 18.386 2.511 ( -0.000 17.795 2.578) 17.980 2.538 ( -0.000 19.568 0.162) 19.569 2.779 ( -0.000 4.574 18.150) 18.718 3.182 ( 0.000 -8.810 -0.810) 8.847 3.226 ( -0.000 6.102 -25.021) 25.754 3.311 ( 0.000 -7.248 -15.483) 17.095 3.741 ( -0.000 9.376 5.117) 10.682 3.901 ( -0.000 12.507 -7.528) 14.597 4.138 ( -0.000 10.638 15.675) 18.944 4.191 ( -0.000 2.166 0.847) 2.326 4.271 ( 0.000 -2.333 -6.270) 6.690 4.369 ( -0.000 12.166 -7.923) 14.519 4.785 ( -0.000 3.698 6.122) 7.152 4.814 ( -0.000 2.689 9.681) 10.048 4.905 ( -0.000 3.640 -4.804) 6.027 4.912 ( -0.000 5.989 2.916) 6.661 5.395 ( 0.000 -1.220 13.151) 13.207 5.509 ( -0.000 0.745 -0.059) 0.747 5.513 ( -0.000 1.110 -0.340) 1.161 5.619 ( 0.000 -2.817 -4.400) 5.224 5.746 ( 0.000 -6.899 4.929) 8.479 5.852 ( -0.000 2.433 4.879) 5.452 5.875 ( 0.000 -8.972 -6.712) 11.205 5.967 ( -0.000 4.066 -5.829) 7.107 6.027 ( 0.000 -5.205 2.090) 5.609 6.147 ( 0.000 -3.547 -7.933) 8.689 6.511 ( -0.000 2.127 3.042) 3.712 6.552 ( -0.000 4.244 -0.896) 4.337 6.620 ( 0.000 -3.253 4.102) 5.235 6.704 ( 0.000 -1.421 -3.729) 3.991 6.784 ( 0.000 -1.862 4.154) 4.553 6.884 ( 0.000 -2.952 -5.085) 5.880 7.054 ( 0.000 -12.247 12.266) 17.333 7.228 ( 0.000 -9.494 -1.181) 9.567 7.243 ( 0.000 -9.698 -1.141) 9.765 7.305 ( 0.000 -2.467 -3.579) 4.347 7.340 ( -0.000 7.089 3.282) 7.812 7.398 ( -0.000 2.341 -2.114) 3.154 7.598 ( -0.000 1.336 1.840) 2.274 7.642 ( 0.000 -6.765 -0.444) 6.779 7.652 ( 0.000 -6.996 -1.071) 7.078 7.652 ( -0.000 4.103 -3.443) 5.356 7.996 ( 0.000 -0.417 6.752) 6.765 8.119 ( 0.000 -1.595 -5.040) 5.286 8.534 ( 0.000 -4.561 0.239) 4.568 8.554 ( 0.000 -5.300 -1.127) 5.419 8.979 ( 0.000 -0.380 3.335) 3.356 9.054 ( 0.000 -0.512 -3.636) 3.672 9.128 ( -0.000 28.632 8.234) 29.792 9.359 ( -0.000 13.308 -12.989) 18.596 9.807 ( 0.000 -4.044 3.727) 5.500 9.883 ( 0.000 -4.050 -3.345) 5.253 9.946 ( -0.000 1.940 8.735) 8.948 10.221 ( -0.000 8.792 -19.058) 20.988 10.762 ( -0.000 2.503 0.921) 2.667 10.781 ( -0.000 2.407 -0.840) 2.549 12.438 ( 0.000 -0.348 5.743) 5.753 12.513 ( -0.000 4.993 -2.299) 5.496 12.760 ( -0.000 3.768 0.248) 3.776 12.788 ( -0.000 5.401 -2.665) 6.022 12.924 ( -0.000 0.182 1.571) 1.581 12.964 ( -0.000 0.179 -2.317) 2.324 13.093 ( 0.000 -0.442 1.937) 1.987 13.125 ( 0.000 -0.431 -1.187) 1.263 13.209 ( 0.000 -5.934 7.732) 9.747 13.280 ( 0.000 -0.510 -1.682) 1.758 13.445 ( 0.000 -0.590 14.597) 14.609 13.745 ( 0.000 -4.066 -13.109) 13.725 14.025 ( 0.000 -3.616 2.790) 4.567 14.069 ( 0.000 -3.830 -1.799) 4.231 14.905 ( 0.000 -4.697 0.984) 4.799 14.931 ( 0.000 -6.302 -1.522) 6.483 15.418 ( 0.000 -0.943 0.169) 0.958 15.421 ( 0.000 -0.973 -0.169) 0.987 15.630 ( -0.000 15.301 14.596) 21.146 15.887 ( -0.000 0.951 0.032) 0.951 15.888 ( -0.000 0.948 -0.032) 0.949 16.036 ( -0.000 14.712 -26.483) 30.295 16.626 ( -0.000 13.815 2.744) 14.085 16.692 ( -0.000 16.686 -4.998) 17.418 17.159 ( 0.000 -6.299 4.355) 7.658 17.212 ( 0.000 -4.737 -1.685) 5.028 18.360 ( -0.000 4.403 0.283) 4.412 18.367 ( -0.000 4.621 -0.449) 4.643 19.432 ( 0.000 -18.371 11.531) 21.690 19.579 ( 0.000 -8.902 -4.723) 10.078 20.011 ( 0.000 -3.292 10.681) 11.177 20.172 ( 0.000 -11.382 -5.030) 12.444 20.833 ( -0.000 9.389 5.310) 10.787 20.963 ( -0.000 5.902 -7.107) 9.238 21.286 ( -0.000 6.120 4.921) 7.853 21.364 ( -0.000 0.819 0.580) 1.003 21.380 ( -0.000 0.794 -0.966) 1.250 21.384 ( -0.000 4.074 -4.817) 6.309 21.421 ( -0.000 0.754 0.874) 1.154 21.434 ( -0.000 0.729 -0.488) 0.878 21.728 ( 0.000 -1.057 3.260) 3.427 21.791 ( 0.000 -0.550 -3.184) 3.231 22.202 ( -0.000 16.610 14.942) 22.342 22.628 ( -0.000 18.765 -29.594) 35.042 24.031 ( 0.000 -13.104 14.263) 19.368 24.154 ( 0.000 -7.273 -1.454) 7.417 24.602 ( 0.000 -1.238 3.273) 3.499 24.691 ( 0.000 -3.647 -4.653) 5.912 25.616 ( 0.000 -4.345 3.592) 5.638 25.655 ( 0.000 -3.714 -0.668) 3.774 ======================= Grid point 103 (39/50) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 21.125 0.000 9.603) 23.205 2.063 ( 18.019 0.000 8.541) 19.941 2.489 ( 14.619 0.000 -4.182) 15.206 2.534 ( 2.221 0.000 -2.389) 3.262 2.665 ( 15.182 0.000 1.314) 15.238 2.724 ( 17.404 0.000 -3.217) 17.699 3.458 ( 13.309 0.000 1.243) 13.367 3.556 ( 7.056 0.000 6.826) 9.817 3.642 ( -3.711 -0.000 -9.594) 10.286 3.810 ( 13.871 0.000 7.015) 15.544 3.872 ( 0.588 0.000 -18.149) 18.158 3.973 ( 9.885 0.000 -6.767) 11.980 4.118 ( 21.071 0.000 0.118) 21.071 4.125 ( 19.980 0.000 -1.631) 20.047 4.395 ( 8.383 0.000 -0.943) 8.436 4.408 ( 5.259 0.000 1.285) 5.414 4.502 ( 5.373 0.000 8.041) 9.671 4.597 ( 24.543 0.000 -1.090) 24.567 4.731 ( 12.279 0.000 7.515) 14.396 4.756 ( 34.290 0.000 3.528) 34.471 4.859 ( 13.343 0.000 -0.946) 13.376 4.862 ( 14.413 0.000 -4.606) 15.131 5.080 ( -2.445 -0.000 0.516) 2.499 5.110 ( -4.926 -0.000 -5.125) 7.109 5.377 ( -2.805 -0.000 2.559) 3.797 5.470 ( -0.978 -0.000 -4.862) 4.960 5.659 ( 5.509 0.000 6.209) 8.301 5.693 ( 2.765 0.000 1.989) 3.406 5.826 ( -9.814 -0.000 0.228) 9.817 5.830 ( -5.138 -0.000 -0.275) 5.145 6.000 ( -0.075 -0.000 8.766) 8.766 6.110 ( -0.729 -0.000 -1.960) 2.091 6.136 ( -3.305 -0.000 1.563) 3.656 6.244 ( -4.104 -0.000 -7.596) 8.634 6.312 ( -7.074 -0.000 9.271) 11.662 6.484 ( 0.356 0.000 -4.109) 4.124 6.625 ( 2.096 0.000 -1.239) 2.435 6.668 ( -2.214 -0.000 -4.065) 4.629 6.860 ( 1.759 0.000 2.223) 2.835 6.892 ( -2.137 -0.000 2.038) 2.953 6.967 ( -6.113 -0.000 1.715) 6.349 7.040 ( -11.616 -0.000 -3.421) 12.109 7.181 ( -9.626 -0.000 0.825) 9.661 7.199 ( -1.988 -0.000 -1.206) 2.325 7.457 ( 1.097 0.000 -2.918) 3.117 7.458 ( -3.993 -0.000 -3.115) 5.064 7.611 ( -5.205 -0.000 1.750) 5.491 7.619 ( -3.691 -0.000 0.907) 3.801 7.954 ( 7.981 0.000 5.447) 9.663 8.057 ( -0.611 -0.000 -3.556) 3.608 8.156 ( -5.269 -0.000 0.905) 5.346 8.177 ( -8.109 -0.000 -0.579) 8.130 8.520 ( -1.427 -0.000 1.381) 1.985 8.560 ( -1.636 -0.000 -2.438) 2.937 8.798 ( 2.751 0.000 -0.107) 2.753 8.806 ( -5.427 -0.000 -0.685) 5.470 9.130 ( 1.935 0.000 0.526) 2.005 9.139 ( 3.659 0.000 -0.493) 3.692 9.782 ( -4.791 -0.000 0.773) 4.853 9.798 ( -8.407 -0.000 -0.702) 8.436 10.085 ( 14.996 0.000 11.481) 18.886 10.337 ( 5.550 0.000 -11.754) 12.999 10.522 ( -3.413 -0.000 4.768) 5.864 10.627 ( -1.385 -0.000 -4.825) 5.019 11.745 ( -6.451 -0.000 0.959) 6.522 11.769 ( -6.387 -0.000 -1.343) 6.527 11.893 ( -2.990 -0.000 2.259) 3.747 11.944 ( -3.662 -0.000 -2.593) 4.487 12.495 ( -1.598 -0.000 4.301) 4.588 12.568 ( -3.143 -0.000 -2.547) 4.046 12.998 ( 0.238 0.000 0.081) 0.251 13.003 ( -0.456 -0.000 -0.328) 0.562 13.657 ( 1.769 0.000 3.771) 4.165 13.701 ( 4.029 0.000 -0.412) 4.050 13.800 ( 4.560 0.000 1.402) 4.771 13.886 ( 0.691 0.000 -6.996) 7.030 14.211 ( -0.185 -0.000 6.219) 6.221 14.313 ( -0.258 -0.000 -3.856) 3.865 14.702 ( -4.788 -0.000 0.250) 4.795 14.707 ( -4.674 -0.000 -0.184) 4.677 15.174 ( -0.664 -0.000 2.005) 2.112 15.219 ( -1.812 -0.000 -2.241) 2.881 15.565 ( -3.020 -0.000 2.703) 4.053 15.619 ( -4.890 -0.000 -2.400) 5.448 15.857 ( 8.809 0.000 0.947) 8.860 15.877 ( 9.144 0.000 -0.876) 9.186 17.130 ( 2.393 0.000 1.425) 2.785 17.162 ( 3.942 0.000 -1.555) 4.238 17.270 ( 6.371 0.000 5.020) 8.111 17.383 ( 8.274 0.000 -5.402) 9.882 18.582 ( 5.430 0.000 1.095) 5.539 18.606 ( 6.769 0.000 -1.115) 6.860 19.235 ( -7.694 -0.000 1.121) 7.776 19.257 ( -9.506 -0.000 -0.903) 9.549 20.333 ( 7.936 0.000 1.957) 8.174 20.387 ( 7.957 0.000 -3.225) 8.585 20.614 ( 4.480 0.000 1.652) 4.775 20.644 ( 4.376 0.000 -1.302) 4.566 20.831 ( 5.531 0.000 2.745) 6.174 20.897 ( 3.779 0.000 -3.793) 5.354 21.079 ( -2.149 -0.000 3.390) 4.013 21.125 ( -5.319 -0.000 -1.321) 5.481 21.527 ( -4.954 -0.000 4.341) 6.587 21.633 ( -2.058 -0.000 -5.664) 6.026 21.836 ( 2.120 0.000 2.562) 3.325 21.873 ( 2.738 0.000 -1.219) 2.997 23.521 ( 9.094 0.000 1.413) 9.203 23.568 ( 1.683 0.000 -3.138) 3.561 24.058 ( 1.197 0.000 8.152) 8.239 24.222 ( -3.994 -0.000 -7.456) 8.458 24.549 ( -3.802 -0.000 6.282) 7.343 24.686 ( -3.900 -0.000 -6.660) 7.718 25.316 ( -4.324 -0.000 1.521) 4.583 25.333 ( -4.523 -0.000 -0.137) 4.525 ======================= Grid point 104 (40/50) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 15.323 -0.770 4.970) 16.127 2.399 ( 14.262 -3.586 -1.152) 14.751 2.507 ( -3.613 0.215 1.000) 3.756 2.540 ( -4.423 -0.824 -1.366) 4.702 3.021 ( 18.034 -6.563 8.704) 21.072 3.113 ( 18.019 -8.861 3.904) 20.456 3.479 ( 0.731 12.235 1.154) 12.311 3.520 ( -3.272 9.532 -6.426) 11.953 3.669 ( 7.227 5.314 -5.868) 10.719 3.781 ( -0.036 8.001 -12.829) 15.119 4.042 ( 7.401 -3.492 0.495) 8.198 4.075 ( 6.152 5.546 4.224) 9.297 4.185 ( -1.299 8.657 4.164) 9.694 4.337 ( 8.834 11.714 -6.265) 15.953 4.538 ( 9.538 -0.439 5.679) 11.110 4.597 ( 10.726 -8.511 1.025) 13.731 4.671 ( 0.333 -2.228 1.187) 2.546 4.775 ( -3.291 0.022 -9.061) 9.640 4.843 ( 2.001 -10.175 2.695) 10.714 4.918 ( -6.837 -2.352 -2.334) 7.598 5.020 ( -2.779 -1.325 2.538) 3.990 5.070 ( 4.531 0.240 -2.952) 5.413 5.179 ( 15.025 3.001 5.544) 16.294 5.244 ( 18.864 3.946 -1.613) 19.340 5.353 ( -3.172 -2.179 2.068) 4.369 5.447 ( -2.251 1.627 -5.573) 6.227 5.610 ( -12.329 1.478 0.005) 12.418 5.626 ( -6.898 5.036 -0.035) 8.541 5.737 ( -0.877 -5.331 4.778) 7.212 5.830 ( -1.408 -9.379 -2.789) 9.886 5.983 ( -2.665 1.940 7.001) 7.738 6.034 ( -5.936 0.858 1.740) 6.245 6.055 ( -5.045 -0.656 -0.118) 5.089 6.166 ( -4.310 1.993 -3.686) 6.011 6.246 ( -6.742 -3.694 6.883) 10.318 6.365 ( -10.322 2.973 -4.912) 11.811 6.487 ( -11.573 -1.790 6.357) 13.325 6.638 ( 0.233 2.732 -0.951) 2.902 6.780 ( -1.029 3.278 -0.996) 3.577 6.839 ( -4.146 1.506 -1.953) 4.824 6.924 ( 2.103 -3.429 1.972) 4.480 7.014 ( 2.692 0.321 -5.390) 6.034 7.113 ( -1.002 1.068 2.039) 2.510 7.161 ( -1.859 0.494 -2.523) 3.172 7.380 ( -5.197 -1.009 1.638) 5.541 7.430 ( -4.558 0.259 -2.932) 5.426 7.595 ( 3.214 -2.340 1.026) 4.105 7.616 ( 1.829 -4.065 -0.814) 4.532 7.984 ( -2.054 0.333 3.532) 4.099 8.028 ( -0.134 0.993 1.303) 1.644 8.058 ( -4.545 1.326 1.039) 4.847 8.132 ( -4.931 -1.235 -3.779) 6.334 8.471 ( -2.733 3.073 0.868) 4.203 8.504 ( -2.443 3.459 -2.424) 4.880 8.744 ( 0.306 0.833 4.692) 4.776 8.855 ( 4.752 0.776 -5.811) 7.546 9.149 ( 2.143 1.119 3.062) 3.902 9.202 ( 2.929 -0.763 -2.008) 3.632 9.641 ( -8.524 0.495 2.982) 9.044 9.716 ( -5.336 -2.111 -4.083) 7.043 10.353 ( 14.826 -0.883 5.051) 15.687 10.399 ( -0.185 1.050 4.160) 4.295 10.534 ( 6.446 -0.099 -1.599) 6.642 10.618 ( 0.457 -0.248 -6.271) 6.292 11.734 ( 5.193 -0.253 1.086) 5.312 11.761 ( 5.273 -0.433 -1.393) 5.471 11.936 ( 7.743 -0.333 1.934) 7.988 11.977 ( 7.418 -0.240 -1.853) 7.650 12.480 ( -0.318 0.085 3.174) 3.191 12.543 ( -0.928 -1.442 -2.710) 3.207 12.993 ( 0.107 -0.398 1.800) 1.847 13.032 ( 0.109 -3.304 -1.746) 3.739 13.662 ( -2.813 -1.943 4.207) 5.421 13.747 ( -0.670 -1.879 -3.264) 3.825 13.881 ( 3.582 -1.662 -0.168) 3.952 13.897 ( -0.316 -1.707 -2.494) 3.038 14.174 ( -2.454 2.302 5.134) 6.139 14.263 ( -3.194 3.213 -3.470) 5.706 14.615 ( -5.354 -0.339 0.574) 5.395 14.626 ( -5.150 -0.836 -0.447) 5.236 15.186 ( 1.897 -0.312 1.309) 2.326 15.216 ( 1.164 -0.289 -1.429) 1.865 15.535 ( 2.001 2.647 1.533) 3.655 15.566 ( 1.158 2.690 -1.339) 3.220 16.033 ( 7.705 -4.631 1.390) 9.097 16.062 ( 7.920 -5.213 -1.347) 9.577 17.127 ( 2.746 6.321 2.362) 7.285 17.180 ( 2.903 5.140 -2.628) 6.462 17.399 ( 5.305 -2.555 5.454) 8.026 17.516 ( 5.516 -1.479 -5.371) 7.840 18.671 ( 3.992 -1.407 2.476) 4.904 18.727 ( 6.644 -1.228 -2.724) 7.284 19.092 ( -6.358 3.638 0.275) 7.331 19.097 ( -6.896 3.555 -0.149) 7.760 20.436 ( 2.944 -0.196 0.682) 3.028 20.458 ( 0.464 0.699 -1.332) 1.573 20.708 ( 7.570 1.118 1.362) 7.773 20.741 ( 6.542 -0.261 -1.868) 6.808 20.880 ( 0.218 -0.958 2.682) 2.857 20.935 ( 0.424 -0.516 -2.669) 2.751 21.122 ( 7.511 1.050 0.890) 7.636 21.134 ( 7.156 0.728 -0.382) 7.203 21.465 ( -1.995 -0.128 6.617) 6.913 21.609 ( -1.093 -0.567 -6.979) 7.087 21.868 ( 1.933 0.454 2.708) 3.359 21.910 ( 2.125 0.833 -1.457) 2.708 23.557 ( 1.182 4.357 2.666) 5.243 23.626 ( 4.527 2.528 -3.835) 6.449 24.047 ( -3.503 -0.244 5.248) 6.315 24.161 ( -5.976 -3.077 -5.622) 8.763 24.453 ( -7.576 -1.206 7.007) 10.390 24.594 ( -6.853 -0.829 -6.346) 9.377 25.275 ( -0.425 -0.475 1.571) 1.695 25.300 ( -0.886 -1.797 -0.701) 2.123 ======================= Grid point 105 (41/50) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -11.246 0.076 0.449) 11.256 2.382 ( -9.191 -1.851 -0.971) 9.426 2.548 ( 7.390 2.095 1.013) 7.748 2.630 ( 8.833 0.079 -5.771) 10.551 3.162 ( -1.068 15.705 2.907) 16.007 3.200 ( -7.580 15.868 4.001) 18.035 3.405 ( 5.774 8.522 4.020) 11.051 3.508 ( 11.645 -7.974 11.891) 18.455 3.583 ( 1.880 12.777 -6.003) 14.242 3.798 ( -5.790 0.313 -8.266) 10.097 3.922 ( -12.544 4.488 9.999) 16.658 4.073 ( -1.383 -0.240 -6.654) 6.800 4.151 ( -3.105 3.475 -1.826) 5.005 4.266 ( -6.239 6.489 -8.706) 12.523 4.385 ( -13.472 5.206 5.541) 15.469 4.515 ( -8.494 5.964 -7.435) 12.767 4.609 ( -14.890 4.664 1.424) 15.668 4.685 ( -7.310 -1.212 -4.525) 8.682 4.856 ( -1.414 2.934 4.036) 5.186 4.927 ( -1.098 2.895 -2.498) 3.978 5.073 ( -6.130 0.730 6.101) 8.679 5.157 ( -1.937 3.517 1.976) 4.475 5.265 ( -4.232 2.333 -2.413) 5.401 5.290 ( 1.509 -2.073 1.274) 2.863 5.313 ( 3.462 -2.571 -2.825) 5.155 5.362 ( 5.278 2.800 -1.184) 6.091 5.405 ( -8.241 -0.051 -0.242) 8.244 5.503 ( -3.125 -2.231 -4.534) 5.942 5.729 ( -9.796 3.029 6.810) 12.309 5.766 ( -6.369 -5.482 9.578) 12.742 5.844 ( -7.573 1.404 -3.909) 8.637 5.970 ( -6.633 -3.315 -6.367) 9.774 6.075 ( 3.265 -5.043 0.102) 6.009 6.100 ( 1.683 1.040 -2.150) 2.922 6.263 ( 6.202 0.856 2.421) 6.713 6.319 ( 4.024 1.377 -2.090) 4.739 6.429 ( -1.856 -4.716 10.704) 11.843 6.588 ( -1.267 1.940 -0.346) 2.343 6.726 ( -2.794 3.538 1.597) 4.783 6.788 ( -0.220 1.200 -4.229) 4.401 7.001 ( -1.094 -2.213 0.489) 2.517 7.029 ( 2.063 -5.670 -0.349) 6.044 7.106 ( 0.500 -0.720 1.777) 1.981 7.192 ( 1.096 -2.412 -5.132) 5.775 7.332 ( -1.477 -0.243 0.605) 1.614 7.343 ( -4.828 -0.184 -0.454) 4.853 7.705 ( 4.054 -1.946 1.338) 4.691 7.739 ( 4.630 -3.795 -2.017) 6.317 7.896 ( -10.297 0.749 2.466) 10.615 7.943 ( -9.016 1.077 -1.604) 9.221 7.993 ( -0.232 -0.613 4.613) 4.659 8.084 ( -1.227 -3.654 -3.618) 5.286 8.361 ( -3.407 4.610 0.689) 5.774 8.389 ( -3.522 6.308 -1.782) 7.441 8.793 ( 5.397 0.857 5.287) 7.604 8.931 ( 5.297 1.623 -7.836) 9.597 9.195 ( 4.743 0.073 4.826) 6.767 9.271 ( 4.119 -1.164 -2.979) 5.215 9.510 ( -8.023 -2.614 5.883) 10.286 9.662 ( -4.947 -3.126 -8.729) 10.509 10.349 ( -1.843 2.450 11.664) 12.061 10.542 ( 5.539 2.335 -6.080) 8.550 10.640 ( 8.490 0.392 1.636) 8.655 10.704 ( 8.052 -0.204 -3.813) 8.912 11.916 ( 15.233 -0.498 1.317) 15.298 11.947 ( 15.498 -0.716 -1.622) 15.599 12.146 ( 16.022 -0.075 2.020) 16.149 12.187 ( 16.509 -0.142 -1.757) 16.603 12.483 ( 0.715 -0.226 3.581) 3.658 12.563 ( 0.355 -2.196 -3.934) 4.520 13.010 ( 0.158 -1.690 3.725) 4.094 13.083 ( 0.329 -4.270 -3.152) 5.317 13.606 ( -7.413 -2.667 4.119) 8.890 13.709 ( -7.150 -2.611 -5.871) 9.613 13.911 ( -2.390 -2.900 2.983) 4.798 13.952 ( 1.293 -2.560 -1.318) 3.156 14.080 ( -2.853 4.805 2.712) 6.211 14.139 ( -4.906 5.067 -2.740) 7.566 14.546 ( -4.293 -2.103 0.939) 4.871 14.565 ( -4.362 -2.437 -0.774) 5.056 15.241 ( 3.296 -1.064 0.869) 3.570 15.260 ( 2.747 -1.132 -0.929) 3.113 15.571 ( 6.918 3.684 1.079) 7.912 15.593 ( 6.429 3.384 -0.981) 7.331 16.205 ( 5.201 -4.949 1.928) 7.434 16.247 ( 5.469 -5.742 -1.902) 8.155 17.076 ( 2.840 9.288 3.481) 10.318 17.150 ( 3.759 8.382 -3.446) 9.811 17.477 ( 1.522 0.062 4.818) 5.053 17.582 ( 1.508 0.882 -4.912) 5.213 18.747 ( 1.687 -2.954 4.466) 5.614 18.849 ( 4.325 -1.739 -5.018) 6.849 18.940 ( -4.698 5.655 0.270) 7.357 18.945 ( -3.709 4.719 -0.193) 6.005 20.386 ( -6.267 1.706 0.386) 6.506 20.393 ( -6.600 1.427 -0.280) 6.758 20.845 ( 11.581 2.532 0.625) 11.871 20.872 ( 9.711 1.677 -2.028) 10.061 20.953 ( 7.175 -0.775 1.443) 7.360 20.980 ( 5.435 -0.348 -1.382) 5.619 21.214 ( 5.160 3.311 3.353) 6.988 21.258 ( 7.922 2.045 -1.178) 8.266 21.492 ( 3.928 -1.972 4.987) 6.648 21.612 ( 0.101 -1.317 -6.042) 6.185 21.883 ( 0.965 1.539 2.156) 2.819 21.920 ( 1.126 2.118 -1.431) 2.793 23.470 ( -3.665 7.735 4.770) 9.799 23.600 ( -2.140 6.161 -7.984) 10.309 23.955 ( -7.542 -1.280 7.305) 10.578 24.090 ( -8.504 -4.821 -6.472) 11.724 24.364 ( -6.157 -4.684 7.680) 10.901 24.503 ( -6.006 -2.937 -5.770) 8.831 25.313 ( 2.780 -1.790 1.450) 3.611 25.339 ( 2.055 -2.609 -1.029) 3.477 ======================= Grid point 106 (42/50) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -15.676 -0.383 3.692) 16.109 2.212 ( -12.759 -1.208 -3.274) 13.228 2.473 ( -4.643 18.074 -1.656) 18.734 2.542 ( -5.286 21.000 -7.020) 22.764 2.959 ( -0.688 10.376 3.819) 11.078 2.998 ( -0.502 4.476 -0.470) 4.528 3.182 ( -34.737 9.661 3.619) 36.237 3.277 ( -27.581 11.818 -4.808) 30.389 3.360 ( -6.968 11.744 8.010) 15.831 3.516 ( -0.048 5.193 -4.667) 6.982 3.652 ( -29.670 7.242 8.899) 31.812 3.846 ( -24.290 7.756 -6.293) 26.264 4.012 ( 1.150 -5.363 4.800) 7.289 4.043 ( -12.020 13.449 2.845) 18.261 4.267 ( 0.435 5.395 2.611) 6.009 4.351 ( -3.528 0.564 0.334) 3.588 4.391 ( -5.963 9.695 -4.938) 12.407 4.530 ( 4.033 -2.150 -12.148) 12.979 4.728 ( -3.028 11.944 7.262) 14.303 4.826 ( -1.991 12.936 0.148) 13.089 4.934 ( 2.416 -1.174 2.690) 3.802 5.055 ( -1.390 5.605 -3.546) 6.777 5.120 ( -4.873 6.281 2.520) 8.340 5.246 ( -3.426 3.802 -3.344) 6.113 5.281 ( -5.879 2.243 -2.822) 6.896 5.346 ( -0.277 1.535 -7.542) 7.701 5.548 ( -3.181 5.691 10.171) 12.082 5.571 ( 7.624 -6.948 4.298) 11.175 5.655 ( 4.441 -6.631 -3.599) 8.754 5.716 ( -3.559 2.780 -4.093) 6.094 5.762 ( -3.275 -8.311 3.903) 9.749 5.917 ( -2.908 -1.110 -8.255) 8.822 6.106 ( 0.044 0.652 3.255) 3.320 6.198 ( 1.931 -3.948 -5.750) 7.237 6.302 ( 2.108 1.317 9.525) 9.844 6.383 ( 5.940 1.817 0.541) 6.236 6.509 ( 1.334 -5.356 5.423) 7.738 6.582 ( 1.804 -0.284 2.221) 2.876 6.665 ( -2.654 -3.156 1.463) 4.375 6.761 ( -1.536 0.538 -7.438) 7.614 7.007 ( -2.763 -2.329 1.918) 4.091 7.071 ( -5.508 -1.773 -4.483) 7.320 7.167 ( 0.363 -3.620 3.016) 4.726 7.207 ( -0.375 -5.552 1.105) 5.673 7.261 ( -1.399 0.163 3.127) 3.430 7.395 ( 3.071 -2.674 -6.528) 7.694 7.599 ( -13.071 1.859 3.985) 13.791 7.684 ( -12.892 1.432 -4.037) 13.585 7.846 ( 0.717 -2.122 1.147) 2.517 7.871 ( 2.380 -0.202 -1.493) 2.817 8.011 ( 2.498 2.425 5.922) 6.869 8.118 ( 0.878 2.158 -4.258) 4.854 8.273 ( -2.127 -0.146 0.967) 2.341 8.300 ( -1.979 -2.161 -1.344) 3.223 8.873 ( 5.714 1.636 4.246) 7.304 8.982 ( 3.919 2.220 -5.958) 7.469 9.294 ( 3.218 -1.484 3.525) 4.998 9.345 ( 3.440 -1.591 1.484) 4.070 9.487 ( -0.816 -7.485 2.181) 7.838 9.632 ( -4.124 -4.703 -10.614) 12.321 10.282 ( -1.299 4.356 15.241) 15.905 10.547 ( 1.362 3.784 -10.484) 11.229 10.780 ( 7.978 1.812 1.897) 8.398 10.820 ( 6.506 1.783 -1.984) 7.031 12.227 ( 19.785 -0.674 1.947) 19.892 12.270 ( 20.924 -0.831 -2.142) 21.050 12.396 ( 9.500 0.815 4.060) 10.363 12.481 ( 14.644 -0.435 -3.710) 15.113 12.557 ( 11.682 -0.781 2.488) 11.969 12.618 ( 5.789 -1.394 -3.552) 6.933 13.034 ( 0.124 -1.663 5.585) 5.829 13.138 ( -0.118 -3.532 -4.191) 5.482 13.475 ( -11.757 -2.147 4.033) 12.613 13.579 ( -11.895 -2.529 -6.141) 13.623 13.838 ( -8.855 -0.183 5.913) 10.649 13.940 ( -5.927 1.532 -4.057) 7.344 14.012 ( -0.426 0.808 0.251) 0.948 14.016 ( -1.276 3.312 -0.182) 3.554 14.533 ( -2.125 -4.664 0.807) 5.188 14.549 ( -2.425 -4.616 -0.699) 5.261 15.311 ( 2.716 -1.606 0.536) 3.201 15.323 ( 2.216 -1.717 -0.559) 2.859 15.672 ( 10.728 4.188 0.939) 11.554 15.692 ( 10.208 3.600 -0.882) 10.860 16.309 ( 1.766 -1.498 2.924) 3.730 16.373 ( 2.474 -3.553 -3.058) 5.301 17.003 ( 2.541 9.362 4.833) 10.838 17.105 ( 3.856 9.134 -4.712) 10.977 17.439 ( -2.405 4.946 4.475) 7.090 17.538 ( -2.403 4.956 -4.813) 7.315 18.750 ( -2.738 4.714 1.602) 5.682 18.770 ( -3.236 7.212 -0.693) 7.935 18.854 ( -0.584 -3.123 5.968) 6.761 19.003 ( 3.850 -5.616 -7.578) 10.188 20.239 ( -7.370 2.414 0.129) 7.757 20.240 ( -7.373 2.324 0.088) 7.731 20.997 ( 7.865 1.637 0.801) 8.073 21.022 ( 13.129 3.203 -1.529) 13.600 21.108 ( 11.848 2.284 1.463) 12.155 21.130 ( 12.347 2.850 -0.751) 12.694 21.235 ( 4.383 4.172 5.438) 8.136 21.332 ( 4.974 3.096 -3.482) 6.815 21.597 ( 3.361 -2.131 1.118) 4.134 21.634 ( 0.193 -1.208 -2.446) 2.735 21.852 ( -1.320 3.105 2.281) 4.073 21.897 ( -0.320 2.614 -1.935) 3.268 23.232 ( -11.142 9.945 6.208) 16.174 23.401 ( -10.632 7.011 -10.374) 16.426 23.853 ( -8.000 -3.452 8.637) 12.268 23.994 ( -10.133 -5.809 -5.544) 12.929 24.379 ( -0.710 -6.334 5.097) 8.161 24.479 ( -1.864 -3.839 -4.284) 6.047 25.396 ( 3.520 -2.536 1.211) 4.504 25.420 ( 3.176 -2.899 -1.026) 4.421 ======================= Grid point 107 (43/50) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -21.865 3.259 6.329) 22.994 1.949 ( -18.773 3.298 -2.285) 19.197 2.027 ( -8.318 27.821 2.680) 29.161 2.167 ( -4.772 23.264 -10.438) 25.941 2.339 ( -29.939 12.774 -0.644) 32.557 2.424 ( -32.155 15.931 -7.505) 36.661 2.957 ( 1.134 2.146 6.693) 7.120 3.044 ( -1.813 4.149 -0.865) 4.610 3.085 ( -19.557 5.401 12.149) 23.648 3.210 ( -0.365 9.517 14.255) 17.144 3.316 ( -21.917 8.141 -7.606) 24.586 3.532 ( 0.691 5.698 -16.703) 17.661 3.592 ( -8.650 23.654 6.318) 25.966 3.808 ( -5.669 21.270 -14.512) 26.366 3.980 ( -2.871 27.421 8.330) 28.802 4.213 ( -0.820 16.020 -8.602) 18.202 4.428 ( 4.454 0.235 8.721) 9.795 4.624 ( 3.194 7.538 -6.140) 10.234 4.651 ( -0.743 10.141 13.629) 17.004 4.721 ( 2.748 -8.879 9.422) 13.234 4.921 ( -2.811 10.156 -7.144) 12.731 4.968 ( -1.182 0.177 -2.363) 2.648 4.996 ( -3.598 0.261 6.154) 7.133 5.136 ( -5.422 4.811 -3.394) 8.004 5.208 ( -0.724 -6.271 -1.113) 6.410 5.321 ( 0.289 2.240 -11.288) 11.512 5.498 ( 2.918 1.985 7.209) 8.026 5.635 ( -1.087 3.243 4.849) 5.934 5.654 ( 0.970 4.668 -6.657) 8.188 5.727 ( 0.075 -3.383 -0.686) 3.453 5.876 ( 2.041 -3.844 -3.361) 5.499 5.917 ( 0.686 -4.046 -5.595) 6.939 6.064 ( -4.501 0.303 4.696) 6.511 6.205 ( -2.375 2.735 -8.708) 9.431 6.362 ( 2.970 -5.402 13.573) 14.908 6.475 ( 5.732 -0.398 1.722) 5.998 6.586 ( 0.384 -4.499 3.531) 5.732 6.647 ( 3.255 -2.239 4.545) 6.022 6.703 ( -2.006 -6.165 -3.308) 7.278 6.731 ( -0.886 -0.577 -6.567) 6.652 6.943 ( -6.551 0.389 1.641) 6.765 6.974 ( -4.095 -0.673 -1.757) 4.507 7.155 ( -1.976 -0.249 6.008) 6.329 7.279 ( -1.932 -4.215 -5.364) 7.091 7.316 ( 0.660 -5.936 4.252) 7.332 7.410 ( -6.619 -2.522 3.857) 8.065 7.419 ( -5.106 -2.947 -4.748) 7.570 7.519 ( -3.549 -1.606 -5.209) 6.505 7.815 ( -0.918 7.228 3.813) 8.223 7.876 ( 0.424 3.253 -2.039) 3.862 8.039 ( 2.237 0.869 0.683) 2.495 8.057 ( 1.178 5.440 -0.964) 5.649 8.309 ( -0.739 -6.374 1.339) 6.555 8.343 ( -0.684 -6.448 -1.642) 6.689 8.940 ( 3.978 0.869 3.259) 5.215 9.020 ( 2.855 0.886 -4.134) 5.101 9.315 ( -1.428 -3.984 7.281) 8.421 9.469 ( 5.747 -2.112 -4.120) 7.380 9.596 ( 0.120 -6.986 -2.191) 7.323 9.653 ( -0.958 -6.975 -5.109) 8.699 10.193 ( -0.990 6.928 17.319) 18.680 10.506 ( 0.445 5.237 -13.109) 14.124 10.850 ( 4.027 3.144 1.031) 5.212 10.872 ( 3.296 3.101 -1.080) 4.652 12.424 ( 1.562 0.144 6.595) 6.779 12.567 ( 5.519 -0.372 -5.737) 7.970 12.610 ( 17.678 -0.675 -0.113) 17.692 12.652 ( 19.783 0.375 -2.665) 19.966 12.837 ( 16.166 -0.652 1.569) 16.255 12.857 ( 15.864 -0.032 0.090) 15.864 13.049 ( 0.129 -0.362 5.112) 5.127 13.139 ( -3.869 -0.414 -3.399) 5.166 13.270 ( -14.919 -1.657 4.659) 15.717 13.386 ( -14.233 -2.791 -6.391) 15.850 13.659 ( -9.756 2.306 6.755) 12.088 13.796 ( -6.262 2.331 -6.742) 9.493 13.975 ( -1.330 0.530 2.050) 2.500 14.001 ( -1.140 -0.215 -0.747) 1.380 14.589 ( -0.255 -7.450 0.545) 7.474 14.601 ( -0.397 -7.420 -0.508) 7.448 15.363 ( 1.136 -1.544 0.255) 1.934 15.369 ( 0.764 -1.625 -0.258) 1.814 15.814 ( 11.383 3.780 0.878) 12.027 15.831 ( 10.285 2.802 -0.718) 10.684 16.277 ( -2.516 6.527 5.584) 8.950 16.406 ( -0.458 1.323 -6.499) 6.648 16.943 ( 1.428 5.553 5.336) 7.832 17.054 ( 1.906 7.175 -5.294) 9.118 17.289 ( -3.722 9.532 4.619) 11.227 17.391 ( -3.972 9.043 -5.197) 11.161 18.623 ( -1.837 7.752 0.489) 7.981 18.635 ( -1.627 7.904 -0.729) 8.103 18.926 ( -0.562 -8.737 10.083) 13.353 19.144 ( 2.015 -9.094 -10.364) 13.935 20.108 ( -3.948 2.730 0.690) 4.849 20.117 ( -3.528 2.138 -0.259) 4.134 21.084 ( 3.580 1.593 6.091) 7.242 21.189 ( 10.144 4.223 -3.685) 11.589 21.248 ( 13.148 7.316 -0.019) 15.047 21.253 ( 10.806 8.416 -0.556) 13.708 21.330 ( 9.979 0.841 2.851) 10.412 21.391 ( 5.961 0.400 -2.886) 6.635 21.587 ( -5.278 0.793 1.298) 5.493 21.628 ( -4.181 0.963 -2.920) 5.190 21.776 ( -2.940 1.984 3.931) 5.294 21.845 ( -2.363 1.966 -2.747) 4.123 22.886 ( -12.392 12.174 8.970) 19.551 23.123 ( -10.548 7.139 -14.089) 18.993 23.778 ( -6.935 -5.621 9.716) 13.195 23.921 ( -7.495 -7.509 -4.646) 11.582 24.467 ( 1.450 -5.785 2.517) 6.473 24.523 ( 1.095 -3.660 -2.662) 4.656 25.481 ( 2.357 -2.809 1.267) 3.880 25.506 ( 2.354 -3.100 -1.079) 4.039 ======================= Grid point 108 (44/50) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.000 18.715 12.103) 22.287 1.594 ( -0.000 29.680 8.268) 30.810 1.632 ( -0.000 13.785 -14.444) 19.966 1.855 ( -0.000 19.987 -16.072) 25.647 1.918 ( -0.000 6.831 8.697) 11.059 2.120 ( -0.000 3.233 -9.079) 9.637 2.819 ( -0.000 5.099 12.963) 13.930 2.875 ( -0.000 17.716 8.700) 19.737 2.991 ( -0.000 13.513 -3.904) 14.066 3.012 ( 0.000 -2.715 -1.743) 3.226 3.066 ( -0.000 27.485 12.017) 29.997 3.193 ( -0.000 26.486 8.486) 27.812 3.268 ( -0.000 17.990 -1.642) 18.065 3.505 ( -0.000 17.948 -21.546) 28.042 3.851 ( 0.000 -4.195 -6.991) 8.153 3.983 ( -0.000 15.327 -17.399) 23.187 4.399 ( -0.000 8.830 6.852) 11.177 4.469 ( -0.000 14.656 16.524) 22.087 4.511 ( -0.000 13.514 -3.279) 13.906 4.726 ( -0.000 14.728 -9.626) 17.594 4.871 ( 0.000 -3.006 13.678) 14.005 4.896 ( -0.000 4.643 6.549) 8.028 5.012 ( 0.000 -2.544 5.177) 5.768 5.019 ( -0.000 5.213 -4.212) 6.702 5.278 ( 0.000 -6.366 1.472) 6.534 5.375 ( 0.000 -7.620 -1.160) 7.708 5.518 ( -0.000 0.773 2.499) 2.616 5.591 ( -0.000 5.242 -4.279) 6.766 5.607 ( 0.000 -4.597 -0.317) 4.608 5.784 ( 0.000 -2.074 -11.453) 11.640 5.905 ( 0.000 -1.081 2.598) 2.814 5.944 ( -0.000 4.979 6.862) 8.478 6.037 ( 0.000 -6.349 -7.553) 9.867 6.103 ( -0.000 6.432 -8.591) 10.732 6.506 ( 0.000 -8.458 8.775) 12.188 6.546 ( 0.000 -1.937 6.932) 7.198 6.610 ( -0.000 2.096 -2.109) 2.974 6.655 ( 0.000 -2.867 -1.951) 3.468 6.733 ( 0.000 -2.112 -0.233) 2.125 6.791 ( 0.000 -4.243 -3.923) 5.779 6.871 ( 0.000 -2.439 7.828) 8.199 6.979 ( 0.000 -6.047 -3.555) 7.015 7.146 ( 0.000 -1.237 6.209) 6.331 7.263 ( 0.000 -0.877 -4.687) 4.768 7.394 ( 0.000 -1.844 5.106) 5.429 7.413 ( 0.000 -9.512 0.288) 9.516 7.463 ( 0.000 -7.930 -4.340) 9.040 7.498 ( -0.000 2.071 -5.095) 5.500 7.699 ( -0.000 8.085 5.448) 9.749 7.807 ( -0.000 6.814 -5.416) 8.704 8.008 ( -0.000 2.300 4.266) 4.846 8.079 ( 0.000 -1.258 -2.686) 2.966 8.382 ( 0.000 -6.668 1.302) 6.794 8.416 ( 0.000 -6.158 -1.569) 6.355 8.972 ( 0.000 -0.008 2.987) 2.987 9.043 ( 0.000 -0.163 -3.613) 3.617 9.364 ( 0.000 -4.683 6.232) 7.796 9.520 ( -0.000 3.353 -8.997) 9.602 9.670 ( 0.000 -6.805 3.807) 7.798 9.745 ( 0.000 -6.881 -3.218) 7.596 10.086 ( -0.000 8.339 16.796) 18.752 10.433 ( -0.000 7.116 -16.322) 17.806 10.841 ( -0.000 3.569 0.790) 3.655 10.857 ( -0.000 3.499 -0.754) 3.579 12.433 ( 0.000 -0.055 7.556) 7.556 12.590 ( -0.000 0.618 -7.697) 7.722 12.865 ( -0.000 3.869 2.278) 4.490 12.923 ( -0.000 4.230 -2.801) 5.074 12.930 ( -0.000 0.223 1.515) 1.531 12.969 ( -0.000 0.164 -2.356) 2.362 13.079 ( 0.000 -0.595 2.008) 2.094 13.091 ( 0.000 -3.817 8.709) 9.509 13.111 ( 0.000 -0.608 -1.162) 1.312 13.241 ( 0.000 -2.953 -6.313) 6.970 13.517 ( -0.000 3.641 9.127) 9.827 13.716 ( -0.000 1.212 -10.104) 10.176 13.964 ( 0.000 -1.312 2.566) 2.882 13.995 ( 0.000 -1.341 -0.817) 1.570 14.696 ( 0.000 -9.380 0.522) 9.395 14.707 ( 0.000 -9.517 -0.504) 9.530 15.389 ( 0.000 -1.307 0.127) 1.313 15.391 ( 0.000 -1.349 -0.127) 1.355 15.916 ( -0.000 1.202 0.026) 1.202 15.916 ( -0.000 1.193 -0.026) 1.193 16.079 ( -0.000 16.413 10.303) 19.379 16.332 ( -0.000 8.087 -13.521) 15.755 16.897 ( -0.000 5.071 4.673) 6.896 16.984 ( -0.000 6.657 -4.039) 7.786 17.138 ( -0.000 7.396 4.385) 8.598 17.234 ( -0.000 8.439 -5.125) 9.873 18.512 ( -0.000 7.488 0.475) 7.503 18.524 ( -0.000 7.642 -0.804) 7.685 19.050 ( 0.000 -12.112 11.971) 17.030 19.291 ( 0.000 -11.702 -10.845) 15.955 20.043 ( -0.000 2.637 1.975) 3.294 20.075 ( -0.000 0.457 -1.099) 1.190 21.065 ( -0.000 5.857 5.508) 8.040 21.166 ( -0.000 9.743 -3.965) 10.519 21.391 ( -0.000 1.295 0.545) 1.405 21.393 ( -0.000 4.735 2.877) 5.541 21.406 ( -0.000 1.229 -0.888) 1.516 21.445 ( -0.000 1.163 0.794) 1.408 21.458 ( -0.000 1.093 -0.451) 1.182 21.462 ( -0.000 4.444 -3.577) 5.705 21.725 ( -0.000 0.519 3.417) 3.456 21.797 ( -0.000 0.836 -3.406) 3.507 22.592 ( -0.000 14.677 12.702) 19.410 22.925 ( -0.000 8.477 -19.866) 21.599 23.791 ( 0.000 -7.194 12.252) 14.208 23.953 ( 0.000 -8.309 -4.451) 9.426 24.545 ( 0.000 -4.146 1.532) 4.420 24.586 ( 0.000 -4.163 -2.198) 4.707 25.537 ( 0.000 -2.815 1.677) 3.277 25.567 ( 0.000 -3.362 -1.183) 3.564 ======================= Grid point 113 (45/50) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -7.988 -0.000 1.222) 8.080 2.371 ( -12.827 -0.000 -0.442) 12.834 2.596 ( 11.377 0.000 2.873) 11.734 2.614 ( 13.974 0.000 2.293) 14.161 3.220 ( 8.987 0.000 7.358) 11.614 3.311 ( 8.428 0.000 11.505) 14.262 3.469 ( 0.249 0.000 -11.576) 11.578 3.704 ( -0.273 -0.000 3.940) 3.949 3.717 ( 2.099 0.000 -18.592) 18.710 3.845 ( -1.026 -0.000 -10.444) 10.494 4.098 ( -11.756 -0.000 -1.062) 11.804 4.111 ( 0.267 0.000 -0.478) 0.548 4.249 ( -3.001 -0.000 14.930) 15.228 4.349 ( -6.293 -0.000 4.313) 7.630 4.467 ( -12.745 -0.000 2.626) 13.013 4.547 ( -18.815 -0.000 1.458) 18.872 4.576 ( -25.421 -0.000 0.142) 25.421 4.649 ( -7.044 -0.000 -8.885) 11.339 4.866 ( 13.793 0.000 -4.361) 14.466 4.875 ( 14.497 0.000 -1.836) 14.613 5.029 ( 0.149 0.000 1.956) 1.961 5.089 ( -4.665 -0.000 -3.941) 6.107 5.225 ( -6.699 -0.000 3.920) 7.762 5.307 ( -3.549 -0.000 4.299) 5.575 5.344 ( -9.238 -0.000 -7.333) 11.795 5.368 ( -7.697 -0.000 -1.898) 7.928 5.536 ( 3.306 0.000 0.813) 3.405 5.588 ( 0.668 0.000 -4.889) 4.935 5.677 ( -2.027 -0.000 4.428) 4.870 5.704 ( -2.957 -0.000 4.353) 5.262 5.827 ( -9.372 -0.000 3.175) 9.895 5.912 ( -4.577 -0.000 -3.132) 5.546 6.029 ( 1.799 0.000 5.830) 6.101 6.175 ( 3.613 0.000 -5.953) 6.964 6.180 ( 3.616 0.000 10.268) 10.886 6.326 ( 1.929 0.000 -8.699) 8.910 6.427 ( 2.330 0.000 10.503) 10.759 6.657 ( -1.341 -0.000 -7.071) 7.197 6.789 ( -2.987 -0.000 2.981) 4.220 6.817 ( 0.846 0.000 1.429) 1.660 6.938 ( 2.461 0.000 3.651) 4.403 7.046 ( -2.439 -0.000 -3.793) 4.509 7.062 ( -4.144 -0.000 1.287) 4.339 7.131 ( -1.261 -0.000 -6.436) 6.558 7.311 ( -0.682 -0.000 1.483) 1.632 7.341 ( -5.668 -0.000 -1.800) 5.948 7.668 ( 7.461 0.000 0.447) 7.474 7.672 ( 6.862 0.000 0.100) 6.862 7.916 ( -13.455 -0.000 2.948) 13.774 7.945 ( -3.516 -0.000 2.311) 4.207 7.992 ( -9.374 -0.000 -1.302) 9.463 8.023 ( -0.312 -0.000 -1.910) 1.935 8.460 ( -2.303 -0.000 0.554) 2.369 8.495 ( -1.828 -0.000 -3.125) 3.620 8.793 ( 5.025 0.000 6.795) 8.451 8.944 ( 5.451 0.000 -8.015) 9.693 9.194 ( 2.878 0.000 3.655) 4.652 9.249 ( 2.966 0.000 -1.901) 3.523 9.479 ( -10.134 -0.000 4.842) 11.232 9.617 ( -5.115 -0.000 -8.739) 10.126 10.381 ( -1.553 -0.000 12.321) 12.418 10.573 ( 8.134 0.000 -3.880) 9.012 10.650 ( 6.611 0.000 -1.221) 6.723 10.697 ( 10.496 0.000 -3.103) 10.945 11.909 ( 15.222 0.000 1.164) 15.267 11.938 ( 15.516 0.000 -1.472) 15.586 12.141 ( 15.875 0.000 1.914) 15.990 12.182 ( 16.265 0.000 -1.901) 16.376 12.481 ( 0.453 0.000 2.516) 2.557 12.530 ( 0.814 0.000 -2.103) 2.255 12.992 ( -0.169 -0.000 1.086) 1.099 13.016 ( 0.766 0.000 -1.140) 1.373 13.567 ( -6.986 -0.000 4.129) 8.115 13.671 ( -6.844 -0.000 -5.962) 9.077 13.871 ( -2.155 -0.000 2.994) 3.689 13.914 ( 1.212 0.000 -1.501) 1.929 14.148 ( -2.234 -0.000 3.240) 3.935 14.216 ( -4.573 -0.000 -3.105) 5.527 14.519 ( -5.424 -0.000 0.617) 5.459 14.530 ( -5.216 -0.000 -0.418) 5.233 15.228 ( 3.095 0.000 0.838) 3.207 15.246 ( 2.515 0.000 -0.880) 2.665 15.622 ( 6.399 0.000 0.911) 6.464 15.640 ( 5.793 0.000 -0.804) 5.849 16.132 ( 6.846 0.000 1.514) 7.012 16.164 ( 7.235 0.000 -1.493) 7.387 17.217 ( 2.798 0.000 2.094) 3.495 17.266 ( 3.367 0.000 -2.545) 4.221 17.459 ( 3.426 0.000 6.085) 6.983 17.584 ( 3.250 0.000 -5.568) 6.447 18.710 ( 1.627 0.000 4.692) 4.966 18.820 ( 5.117 0.000 -5.580) 7.571 19.018 ( -5.111 -0.000 0.106) 5.112 19.018 ( -4.960 -0.000 0.125) 4.962 20.408 ( -6.244 -0.000 -0.068) 6.245 20.410 ( -5.946 -0.000 -0.171) 5.949 20.888 ( 11.860 0.000 0.761) 11.884 20.900 ( 12.291 0.000 -0.361) 12.296 20.931 ( 7.340 0.000 1.548) 7.502 20.968 ( 4.748 0.000 -1.954) 5.135 21.258 ( 6.348 0.000 1.813) 6.601 21.283 ( 8.572 0.000 -0.740) 8.604 21.468 ( 2.999 0.000 5.127) 5.940 21.594 ( -0.131 -0.000 -6.601) 6.602 21.904 ( 1.703 0.000 2.913) 3.375 21.950 ( 1.757 0.000 -1.657) 2.415 23.600 ( -0.215 -0.000 4.279) 4.284 23.703 ( 0.587 0.000 -5.353) 5.385 23.926 ( -10.263 -0.000 2.678) 10.606 23.999 ( -10.026 -0.000 -4.654) 11.054 24.304 ( -7.687 -0.000 8.909) 11.767 24.460 ( -7.292 -0.000 -6.262) 9.612 25.294 ( 2.637 0.000 0.248) 2.649 25.295 ( 1.784 0.000 0.145) 1.790 ======================= Grid point 114 (46/50) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -16.172 -0.322 2.849) 16.424 2.182 ( -12.290 -0.770 -2.644) 12.595 2.734 ( 7.785 5.270 2.613) 9.757 2.800 ( 7.946 3.336 -2.717) 9.036 3.239 ( -8.285 3.907 4.526) 10.217 3.257 ( -6.526 9.216 8.656) 14.229 3.331 ( -27.597 2.780 1.788) 27.794 3.520 ( -19.021 5.317 -7.692) 21.196 3.685 ( -3.772 8.012 1.003) 8.912 3.738 ( -6.379 4.513 6.325) 10.053 3.802 ( -9.172 5.317 -6.945) 12.674 3.898 ( -19.772 12.546 2.543) 23.554 3.965 ( -30.877 1.232 -4.933) 31.293 4.025 ( 1.939 -3.055 -13.804) 14.270 4.283 ( -4.227 -1.207 10.925) 11.776 4.382 ( 1.531 0.350 3.622) 3.948 4.494 ( -3.183 -2.060 -2.995) 4.832 4.585 ( 0.666 2.384 -6.739) 7.179 4.915 ( -1.438 1.624 0.125) 2.172 4.959 ( -2.640 -1.901 -2.933) 4.380 5.037 ( -1.690 0.996 4.600) 5.001 5.118 ( -3.443 -8.252 0.606) 8.962 5.136 ( -2.162 -1.875 -2.036) 3.513 5.210 ( -5.333 -1.430 -6.947) 8.874 5.276 ( -1.111 -0.066 3.602) 3.770 5.319 ( -2.690 -3.387 -0.480) 4.352 5.495 ( -0.464 5.110 1.257) 5.283 5.564 ( 2.650 7.378 -4.421) 9.000 5.654 ( 0.743 -0.517 8.805) 8.851 5.719 ( 0.652 4.801 10.624) 11.676 5.792 ( 2.451 -6.211 -5.188) 8.456 5.905 ( 2.646 4.167 -5.076) 7.080 6.097 ( 4.400 -1.794 2.910) 5.572 6.183 ( 4.613 3.943 -2.824) 6.694 6.356 ( 4.762 -7.104 1.968) 8.776 6.401 ( 5.339 2.843 -0.088) 6.049 6.464 ( 6.324 3.186 3.891) 8.080 6.591 ( -1.922 2.408 -5.333) 6.159 6.719 ( -4.728 3.328 6.424) 8.643 6.789 ( -1.503 2.084 -1.003) 2.759 6.957 ( -2.003 -0.260 -0.765) 2.160 6.994 ( -0.114 -1.755 -3.661) 4.062 7.050 ( -2.199 -6.374 3.113) 7.427 7.121 ( -3.413 -2.780 -3.048) 5.354 7.255 ( -4.118 -0.069 4.035) 5.766 7.343 ( 2.293 -1.420 -3.708) 4.585 7.634 ( -17.137 0.944 4.017) 17.627 7.715 ( -15.525 0.882 -3.599) 15.961 7.802 ( 5.229 -1.159 1.245) 5.498 7.824 ( 7.293 -2.277 -0.879) 7.690 7.992 ( 2.895 -1.980 3.335) 4.840 8.055 ( 2.336 -2.130 -2.320) 3.922 8.377 ( -3.571 4.790 0.989) 6.056 8.418 ( -3.273 5.166 -3.107) 6.860 8.891 ( 5.613 -0.069 5.808) 8.077 9.025 ( 4.311 1.111 -7.014) 8.307 9.256 ( 3.478 -1.328 3.459) 5.082 9.308 ( 0.783 -1.201 -0.153) 1.442 9.333 ( -6.255 -3.816 5.747) 9.312 9.545 ( -4.797 -1.954 -13.717) 14.662 10.353 ( -0.652 1.518 15.857) 15.943 10.615 ( 1.517 1.600 -9.806) 10.051 10.813 ( 9.474 0.763 1.925) 9.698 10.853 ( 8.101 0.755 -1.818) 8.337 12.214 ( 19.831 -0.251 1.537) 19.892 12.252 ( 20.619 -0.463 -2.000) 20.721 12.399 ( 10.299 -0.280 2.186) 10.532 12.443 ( 8.130 -1.595 -2.041) 8.533 12.549 ( 13.455 -0.062 2.322) 13.655 12.598 ( 9.324 -0.294 -2.246) 9.595 12.996 ( 0.184 -0.887 2.500) 2.659 13.047 ( 0.711 -2.589 -2.243) 3.499 13.425 ( -11.125 -1.360 3.763) 11.823 13.524 ( -11.740 -1.423 -5.933) 13.231 13.803 ( -7.213 -1.265 6.050) 9.499 13.903 ( -4.436 -1.527 -3.693) 5.971 14.105 ( -0.530 3.175 0.861) 3.332 14.127 ( -2.608 3.496 -1.271) 4.543 14.450 ( -3.850 -1.963 0.799) 4.395 14.465 ( -3.796 -2.076 -0.618) 4.371 15.284 ( 2.962 -0.554 0.460) 3.049 15.294 ( 2.495 -0.590 -0.467) 2.606 15.745 ( 9.196 1.594 0.518) 9.347 15.756 ( 8.713 1.418 -0.478) 8.840 16.243 ( 4.302 -2.166 1.861) 5.164 16.283 ( 4.611 -2.473 -1.850) 5.550 17.221 ( 2.492 6.148 3.223) 7.375 17.293 ( 3.196 4.547 -3.510) 6.574 17.496 ( 0.539 0.175 5.463) 5.492 17.609 ( 0.118 1.045 -5.031) 5.140 18.726 ( -0.619 -1.546 6.920) 7.118 18.878 ( 0.036 0.393 -6.113) 6.126 18.928 ( -3.209 3.095 0.381) 4.475 18.947 ( -0.434 1.250 -2.415) 2.753 20.280 ( -7.668 0.820 0.065) 7.712 20.281 ( -7.373 0.899 -0.047) 7.428 21.024 ( 5.934 0.633 3.765) 7.056 21.084 ( 11.395 1.419 -1.957) 11.648 21.130 ( 14.698 0.585 0.962) 14.741 21.151 ( 14.114 -0.338 -0.927) 14.149 21.325 ( 4.352 2.154 3.161) 5.794 21.393 ( 5.130 1.331 -2.802) 5.995 21.556 ( 5.321 -0.957 1.529) 5.618 21.607 ( 0.982 -0.753 -3.486) 3.699 21.916 ( 0.486 1.532 2.616) 3.070 21.961 ( 0.613 1.814 -1.708) 2.566 23.485 ( -7.352 9.191 4.052) 12.448 23.584 ( -9.427 6.254 -5.345) 12.512 23.760 ( -11.056 -4.360 4.282) 12.632 23.858 ( -10.955 -4.949 -5.713) 13.309 24.250 ( -0.586 -3.093 7.826) 8.436 24.386 ( -3.010 -2.716 -5.273) 6.651 25.344 ( 2.897 -1.295 0.797) 3.272 25.359 ( 3.383 -1.595 -0.646) 3.795 ======================= Grid point 115 (47/50) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -15.084 -0.338 5.588) 16.089 1.968 ( -13.993 -0.058 -4.173) 14.602 2.591 ( -23.824 12.582 1.726) 26.998 2.667 ( -12.207 12.516 -4.731) 18.112 2.733 ( -11.563 18.592 -0.293) 21.896 2.804 ( -13.742 10.960 -6.023) 18.580 3.115 ( 0.180 7.608 6.212) 9.824 3.167 ( -23.393 4.464 13.073) 27.167 3.229 ( -2.303 13.248 -4.458) 14.166 3.411 ( -23.662 1.454 -10.310) 25.851 3.567 ( -0.544 16.384 5.324) 17.236 3.652 ( 1.625 12.545 1.311) 12.717 3.992 ( 6.389 -13.044 6.890) 16.076 4.081 ( -4.268 13.769 6.909) 15.985 4.243 ( 2.581 -11.693 -5.839) 13.322 4.317 ( -5.644 11.268 -11.110) 16.801 4.491 ( 4.642 -1.541 -0.410) 4.908 4.619 ( 4.010 1.907 -9.764) 10.726 4.864 ( -0.480 9.294 4.969) 10.550 4.913 ( -2.855 6.395 6.701) 9.693 4.947 ( -0.019 1.184 1.311) 1.767 5.039 ( -4.981 1.575 2.272) 5.697 5.133 ( -3.564 4.730 -5.665) 8.196 5.173 ( -2.937 -2.657 -6.030) 7.214 5.243 ( -1.834 2.293 1.894) 3.494 5.355 ( -1.206 -5.698 -5.768) 8.197 5.462 ( -2.522 -8.663 6.784) 11.289 5.591 ( 2.738 -4.198 -3.975) 6.397 5.640 ( 1.582 6.522 10.813) 12.727 5.702 ( 2.167 0.910 6.642) 7.046 5.857 ( 2.174 8.561 -7.849) 11.817 5.881 ( 2.176 2.144 -8.743) 9.261 6.145 ( 0.817 2.934 4.333) 5.296 6.242 ( 4.363 0.983 -3.756) 5.841 6.393 ( 3.393 5.400 9.644) 11.563 6.465 ( 2.627 -2.497 0.169) 3.629 6.564 ( 5.061 4.010 3.412) 7.303 6.595 ( -2.517 -1.186 3.725) 4.649 6.628 ( 4.825 -0.689 -2.797) 5.620 6.730 ( -3.012 0.617 -6.112) 6.842 6.944 ( -1.792 -1.086 0.104) 2.098 6.991 ( -2.538 0.930 -4.299) 5.079 7.091 ( -2.849 -5.311 -0.163) 6.029 7.108 ( -2.162 -5.777 -1.740) 6.409 7.232 ( -0.141 -2.264 9.493) 9.760 7.357 ( -10.162 -1.310 2.323) 10.506 7.398 ( -4.658 -1.116 -2.821) 5.559 7.464 ( -9.855 -1.755 -3.787) 10.702 7.873 ( 2.363 0.110 3.295) 4.056 7.944 ( 4.598 0.390 -3.436) 5.754 8.086 ( 4.782 0.076 3.229) 5.771 8.139 ( 3.220 -2.807 -1.640) 4.576 8.254 ( -4.073 2.371 0.373) 4.727 8.283 ( -3.429 6.287 -2.574) 7.610 8.963 ( 3.385 0.758 4.213) 5.457 9.057 ( 2.237 2.035 -4.432) 5.366 9.224 ( -5.073 -2.890 8.973) 10.705 9.368 ( 3.362 -5.085 3.071) 6.826 9.428 ( 2.618 -6.271 -3.972) 7.872 9.511 ( -3.435 -3.910 -14.643) 15.540 10.317 ( -0.287 3.286 17.686) 17.991 10.607 ( 0.785 2.950 -10.845) 11.266 10.917 ( 4.885 2.092 1.050) 5.417 10.940 ( 4.208 2.126 -1.028) 4.825 12.427 ( 1.914 0.191 3.752) 4.216 12.513 ( 2.264 -3.022 -4.258) 5.691 12.597 ( 19.532 -0.676 1.846) 19.630 12.639 ( 20.340 -1.000 -1.916) 20.455 12.829 ( 14.869 -0.185 0.667) 14.885 12.848 ( 15.643 -0.653 -0.734) 15.674 13.022 ( 1.220 -1.400 3.572) 4.026 13.088 ( -0.738 -2.645 -2.737) 3.877 13.224 ( -15.003 -1.791 3.455) 15.500 13.315 ( -15.588 -2.379 -5.414) 16.672 13.667 ( -9.699 -0.945 7.316) 12.186 13.804 ( -8.013 -1.273 -5.847) 10.001 14.052 ( -0.032 4.558 0.521) 4.588 14.059 ( -0.073 4.152 -0.221) 4.158 14.444 ( -1.521 -4.363 0.690) 4.671 14.458 ( -1.637 -4.215 -0.591) 4.560 15.333 ( 1.649 -0.878 0.186) 1.878 15.337 ( 1.353 -0.919 -0.185) 1.646 15.876 ( 8.058 1.550 0.253) 8.210 15.881 ( 7.556 1.342 -0.234) 7.678 16.314 ( 1.176 -1.424 2.454) 3.071 16.368 ( 1.585 -2.644 -2.550) 4.000 17.156 ( 1.361 9.347 4.874) 10.629 17.261 ( 1.876 7.555 -5.001) 9.252 17.463 ( -1.289 3.957 4.635) 6.229 17.560 ( -1.727 4.287 -4.527) 6.469 18.732 ( -1.339 -1.786 7.041) 7.387 18.806 ( -1.771 5.351 -0.996) 5.724 18.843 ( -1.326 3.740 2.414) 4.645 18.987 ( 1.255 -3.609 -9.947) 10.656 20.160 ( -4.418 1.467 0.244) 4.662 20.164 ( -4.267 1.472 -0.159) 4.517 21.098 ( 3.138 0.101 8.577) 9.133 21.252 ( 9.982 1.553 -5.514) 11.509 21.351 ( 11.406 1.025 1.088) 11.503 21.375 ( 11.706 0.677 -0.944) 11.764 21.382 ( 7.172 3.322 1.411) 8.029 21.429 ( 2.539 2.526 -3.666) 5.125 21.610 ( -0.408 0.750 1.204) 1.476 21.634 ( 0.835 -0.354 -1.270) 1.561 21.868 ( -2.151 4.278 2.889) 5.592 21.921 ( -1.362 3.673 -2.151) 4.469 23.195 ( -9.001 12.413 4.842) 16.079 23.317 ( -9.370 8.154 -6.898) 14.208 23.658 ( -7.707 -4.770 5.198) 10.449 23.754 ( -8.351 -6.033 -4.217) 11.132 24.322 ( 1.774 -5.135 4.845) 7.279 24.415 ( 0.241 -4.581 -3.850) 5.988 25.411 ( 1.985 -2.512 1.118) 3.392 25.434 ( 2.269 -2.473 -1.052) 3.517 ======================= Grid point 116 (48/50) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.000 5.672 7.269) 9.220 1.788 ( -0.000 2.854 -3.160) 4.258 2.205 ( -0.000 11.198 -0.295) 11.202 2.305 ( -0.000 12.675 -7.333) 14.644 2.363 ( -0.000 29.933 2.140) 30.010 2.487 ( -0.000 26.121 -9.495) 27.793 2.910 ( -0.000 2.504 14.228) 14.446 3.031 ( -0.000 8.061 6.012) 10.056 3.117 ( -0.000 4.988 -1.290) 5.152 3.173 ( -0.000 2.784 -10.648) 11.006 3.369 ( -0.000 14.785 9.371) 17.504 3.578 ( -0.000 2.786 -10.337) 10.706 3.809 ( -0.000 21.581 7.776) 22.939 4.025 ( -0.000 20.755 -13.939) 25.001 4.224 ( 0.000 -4.091 11.535) 12.239 4.358 ( -0.000 9.420 0.035) 9.420 4.438 ( -0.000 5.003 3.805) 6.286 4.690 ( 0.000 -4.406 -7.407) 8.619 4.732 ( -0.000 7.567 3.674) 8.411 4.785 ( -0.000 9.804 14.283) 17.324 4.929 ( -0.000 1.186 -11.336) 11.398 4.969 ( -0.000 2.615 1.935) 3.253 5.025 ( -0.000 7.173 -4.839) 8.653 5.131 ( -0.000 2.858 -6.191) 6.819 5.169 ( -0.000 2.572 5.466) 6.041 5.364 ( -0.000 2.743 -14.212) 14.474 5.577 ( 0.000 -8.529 10.270) 13.350 5.581 ( -0.000 5.022 10.174) 11.346 5.717 ( 0.000 -0.170 3.605) 3.609 5.750 ( 0.000 -14.117 -4.088) 14.697 5.785 ( -0.000 9.860 -9.432) 13.645 5.857 ( 0.000 -3.505 -9.670) 10.286 6.086 ( -0.000 5.927 7.196) 9.323 6.244 ( -0.000 4.316 -8.641) 9.659 6.364 ( -0.000 2.507 20.267) 20.422 6.546 ( 0.000 -2.083 3.478) 4.055 6.552 ( 0.000 -1.633 3.382) 3.755 6.633 ( -0.000 1.490 -5.464) 5.663 6.657 ( 0.000 -3.425 -0.923) 3.547 6.727 ( 0.000 -0.760 -7.386) 7.425 6.901 ( -0.000 2.920 1.181) 3.150 6.940 ( -0.000 1.332 -2.063) 2.455 7.113 ( 0.000 -2.863 2.804) 4.007 7.169 ( 0.000 -7.554 -2.800) 8.056 7.269 ( 0.000 -2.872 1.095) 3.074 7.310 ( 0.000 -4.364 9.521) 10.473 7.317 ( 0.000 -2.207 -3.475) 4.117 7.471 ( 0.000 -3.146 -6.165) 6.921 7.877 ( -0.000 2.615 3.670) 4.506 7.947 ( -0.000 5.195 -2.936) 5.967 8.084 ( -0.000 3.676 2.822) 4.635 8.150 ( -0.000 7.548 -3.372) 8.267 8.232 ( 0.000 -5.007 1.058) 5.118 8.258 ( 0.000 -6.057 -1.271) 6.189 8.983 ( -0.000 0.812 3.196) 3.298 9.056 ( -0.000 1.362 -3.692) 3.935 9.231 ( 0.000 -5.134 10.077) 11.309 9.487 ( 0.000 -7.506 3.657) 8.349 9.502 ( 0.000 -2.598 -16.723) 16.924 9.557 ( 0.000 -7.988 -2.892) 8.496 10.261 ( -0.000 5.239 18.207) 18.946 10.569 ( -0.000 4.176 -12.009) 12.715 10.926 ( -0.000 3.064 0.754) 3.156 10.942 ( -0.000 3.091 -0.742) 3.179 12.434 ( -0.000 0.136 5.411) 5.412 12.559 ( 0.000 -2.629 -6.412) 6.929 12.911 ( 0.000 -0.111 2.589) 2.591 12.933 ( -0.000 0.030 1.408) 1.408 12.960 ( 0.000 -1.197 0.141) 1.206 12.971 ( 0.000 -0.063 -2.292) 2.293 13.013 ( 0.000 -2.396 3.470) 4.217 13.067 ( 0.000 -0.370 2.025) 2.058 13.098 ( 0.000 -0.371 -1.136) 1.196 13.135 ( 0.000 -5.144 -6.738) 8.478 13.567 ( -0.000 0.206 8.638) 8.641 13.735 ( 0.000 -0.567 -7.506) 7.528 13.996 ( -0.000 3.884 1.344) 4.110 14.014 ( -0.000 2.951 -0.509) 2.994 14.500 ( 0.000 -6.286 0.523) 6.308 14.510 ( 0.000 -6.181 -0.481) 6.200 15.358 ( 0.000 -1.060 0.083) 1.063 15.360 ( 0.000 -1.093 -0.082) 1.096 15.942 ( -0.000 0.832 0.013) 0.832 15.942 ( -0.000 0.819 -0.012) 0.819 16.313 ( -0.000 2.636 3.987) 4.780 16.402 ( 0.000 -1.105 -4.303) 4.442 17.049 ( -0.000 9.212 5.808) 10.890 17.172 ( -0.000 8.865 -5.918) 10.659 17.372 ( -0.000 8.115 4.368) 9.216 17.465 ( -0.000 7.804 -4.575) 9.046 18.696 ( -0.000 5.817 1.385) 5.979 18.714 ( -0.000 6.972 -0.709) 7.008 18.834 ( 0.000 -4.528 9.500) 10.524 19.061 ( 0.000 -6.626 -11.482) 13.256 20.102 ( -0.000 1.967 0.465) 2.021 20.109 ( -0.000 1.680 -0.248) 1.698 21.122 ( -0.000 0.341 9.932) 9.937 21.326 ( -0.000 2.776 -9.353) 9.757 21.423 ( -0.000 1.199 0.473) 1.289 21.436 ( -0.000 1.083 -0.720) 1.301 21.474 ( -0.000 1.048 0.615) 1.215 21.484 ( -0.000 0.914 -0.368) 0.985 21.543 ( -0.000 5.560 2.846) 6.246 21.599 ( -0.000 4.448 -3.221) 5.492 21.774 ( -0.000 4.370 4.474) 6.254 21.849 ( -0.000 3.776 -2.918) 4.772 22.943 ( -0.000 13.898 7.157) 15.633 23.127 ( -0.000 8.400 -10.549) 13.485 23.647 ( 0.000 -4.908 7.072) 8.608 23.761 ( 0.000 -7.063 -4.173) 8.203 24.409 ( 0.000 -5.971 3.503) 6.923 24.480 ( 0.000 -4.805 -3.046) 5.689 25.463 ( 0.000 -3.036 1.187) 3.260 25.488 ( 0.000 -2.990 -1.121) 3.193 ======================= Grid point 123 (49/50) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -14.341 -0.000 5.413) 15.329 1.965 ( -12.250 -0.000 -4.739) 13.135 2.750 ( -30.530 -0.000 3.270) 30.705 2.827 ( -15.336 -0.000 -3.113) 15.649 2.930 ( -5.804 -0.000 1.634) 6.029 2.962 ( 3.258 0.000 0.114) 3.260 3.209 ( -28.645 -0.000 7.706) 29.663 3.251 ( -3.264 -0.000 9.976) 10.496 3.419 ( -23.267 -0.000 -6.704) 24.213 3.443 ( -1.341 -0.000 -1.434) 1.964 3.783 ( 4.059 0.000 -6.297) 7.492 3.811 ( -1.146 -0.000 -6.725) 6.822 4.052 ( 3.645 0.000 -4.260) 5.606 4.060 ( 3.487 0.000 -3.437) 4.896 4.256 ( -1.057 -0.000 10.367) 10.421 4.452 ( 1.684 0.000 9.702) 9.847 4.455 ( 2.250 0.000 -8.842) 9.124 4.630 ( 0.419 0.000 -7.454) 7.465 4.756 ( -5.409 -0.000 5.821) 7.946 4.870 ( -2.353 -0.000 -3.818) 4.485 5.005 ( -5.425 -0.000 4.927) 7.329 5.037 ( -3.535 -0.000 2.191) 4.158 5.119 ( 0.338 0.000 -4.634) 4.646 5.130 ( -0.044 -0.000 -6.937) 6.937 5.210 ( -5.364 -0.000 -0.713) 5.411 5.231 ( -4.436 -0.000 -4.441) 6.277 5.545 ( 0.407 0.000 4.389) 4.408 5.599 ( 0.267 0.000 2.995) 3.007 5.743 ( 3.248 0.000 8.500) 9.100 5.775 ( 1.426 0.000 11.559) 11.647 5.876 ( 10.302 0.000 -4.860) 11.390 6.011 ( 3.759 0.000 -6.154) 7.211 6.164 ( 3.950 0.000 2.472) 4.660 6.274 ( 0.653 0.000 -8.156) 8.182 6.397 ( 6.434 0.000 4.330) 7.756 6.524 ( 0.696 0.000 -11.480) 11.501 6.587 ( 5.232 0.000 2.348) 5.735 6.590 ( 7.269 0.000 1.739) 7.474 6.680 ( -3.120 -0.000 9.590) 10.085 6.765 ( -3.976 -0.000 -0.033) 3.976 6.876 ( -4.927 -0.000 -1.375) 5.115 6.953 ( -1.460 -0.000 -1.539) 2.121 7.009 ( 0.967 0.000 -2.361) 2.551 7.061 ( -1.792 -0.000 -3.557) 3.983 7.207 ( -1.573 -0.000 10.007) 10.130 7.338 ( -10.429 -0.000 1.505) 10.537 7.369 ( -4.042 -0.000 -0.929) 4.148 7.449 ( -14.354 -0.000 -3.953) 14.888 7.874 ( 2.737 0.000 3.627) 4.544 7.939 ( 6.256 0.000 -2.275) 6.657 8.058 ( 6.217 0.000 1.255) 6.342 8.098 ( 3.899 0.000 -2.266) 4.510 8.331 ( -5.315 -0.000 1.349) 5.483 8.381 ( -4.662 -0.000 -3.579) 5.877 8.972 ( 3.776 0.000 5.951) 7.048 9.098 ( 2.849 0.000 -6.012) 6.653 9.181 ( -6.178 -0.000 10.144) 11.877 9.293 ( 2.092 0.000 2.362) 3.156 9.330 ( 1.546 0.000 -1.321) 2.034 9.465 ( -3.057 -0.000 -18.109) 18.365 10.358 ( -0.082 -0.000 18.012) 18.012 10.645 ( 0.846 0.000 -10.377) 10.412 10.945 ( 5.187 0.000 1.082) 5.298 10.967 ( 4.534 0.000 -1.041) 4.652 12.438 ( 1.930 0.000 0.874) 2.118 12.457 ( 1.833 0.000 -0.832) 2.013 12.586 ( 19.173 0.000 1.709) 19.249 12.624 ( 20.945 0.000 -1.802) 21.023 12.824 ( 14.071 0.000 0.269) 14.074 12.837 ( 13.942 0.000 -1.104) 13.986 13.001 ( 1.771 0.000 2.837) 3.345 13.053 ( 1.981 0.000 -2.078) 2.871 13.199 ( -14.787 -0.000 3.223) 15.134 13.284 ( -15.728 -0.000 -5.024) 16.511 13.650 ( -9.321 -0.000 7.099) 11.716 13.782 ( -7.773 -0.000 -5.415) 9.474 14.125 ( 0.237 0.000 0.066) 0.246 14.128 ( -0.367 -0.000 -0.163) 0.401 14.383 ( -2.239 -0.000 0.875) 2.403 14.400 ( -2.137 -0.000 -0.682) 2.243 15.322 ( 1.794 0.000 0.163) 1.801 15.325 ( 1.520 0.000 -0.161) 1.528 15.895 ( 6.867 0.000 0.136) 6.868 15.898 ( 6.545 0.000 -0.129) 6.546 16.287 ( 2.313 0.000 1.970) 3.038 16.330 ( 2.472 0.000 -1.935) 3.139 17.295 ( 1.392 0.000 2.828) 3.152 17.361 ( 1.552 0.000 -3.401) 3.739 17.499 ( -0.214 -0.000 5.495) 5.499 17.609 ( -0.841 -0.000 -4.715) 4.790 18.698 ( -1.265 -0.000 8.678) 8.770 18.868 ( -1.285 -0.000 -4.328) 4.515 18.907 ( -1.586 -0.000 0.559) 1.681 18.955 ( 0.465 0.000 -6.684) 6.700 20.178 ( -4.571 -0.000 0.226) 4.576 20.183 ( -4.470 -0.000 -0.227) 4.476 21.098 ( 2.722 0.000 9.330) 9.719 21.271 ( 9.173 0.000 -6.031) 10.978 21.368 ( 11.103 0.000 -0.218) 11.105 21.375 ( 10.840 0.000 -0.660) 10.860 21.422 ( 5.607 0.000 1.143) 5.722 21.459 ( 2.375 0.000 -3.059) 3.872 21.622 ( 0.812 0.000 0.260) 0.852 21.623 ( 2.769 0.000 0.032) 2.769 21.928 ( -0.517 -0.000 2.755) 2.803 21.977 ( -0.320 -0.000 -1.884) 1.911 23.435 ( -7.819 -0.000 0.241) 7.823 23.446 ( -9.704 -0.000 -0.667) 9.727 23.539 ( -8.183 -0.000 4.845) 9.510 23.650 ( -8.363 -0.000 -5.664) 10.101 24.254 ( 2.067 0.000 4.903) 5.321 24.346 ( -0.024 -0.000 -3.744) 3.744 25.376 ( 1.885 0.000 1.150) 2.208 25.400 ( 2.325 0.000 -1.079) 2.563 ======================= Grid point 125 (50/50) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -0.000 0.297 6.264) 6.271 1.835 ( -0.000 0.787 -5.217) 5.276 2.425 ( -0.000 5.648 5.223) 7.693 2.574 ( -0.000 6.427 -8.940) 11.011 2.883 ( -0.000 9.560 2.277) 9.827 2.937 ( -0.000 10.270 -1.985) 10.460 2.950 ( -0.000 0.974 11.583) 11.624 3.182 ( 0.000 -1.044 -10.694) 10.745 3.219 ( -0.000 6.337 10.116) 11.937 3.376 ( -0.000 8.736 -4.724) 9.931 3.746 ( -0.000 10.264 4.322) 11.137 3.884 ( -0.000 7.983 8.378) 11.572 3.904 ( -0.000 3.426 -10.181) 10.742 4.128 ( 0.000 -6.675 -10.571) 12.502 4.193 ( -0.000 8.479 9.970) 13.089 4.418 ( -0.000 9.396 -11.934) 15.189 4.487 ( 0.000 -3.398 6.270) 7.132 4.644 ( 0.000 -4.274 -7.328) 8.483 4.871 ( 0.000 -10.238 0.495) 10.250 4.903 ( 0.000 -5.891 -2.146) 6.269 4.925 ( -0.000 1.787 9.028) 9.203 4.997 ( -0.000 0.461 1.627) 1.691 5.129 ( -0.000 0.711 -3.720) 3.787 5.146 ( 0.000 -6.326 2.975) 6.990 5.159 ( -0.000 1.039 -8.283) 8.348 5.229 ( 0.000 -6.649 -3.278) 7.413 5.473 ( -0.000 8.088 6.265) 10.231 5.620 ( -0.000 0.195 -4.612) 4.616 5.734 ( -0.000 5.205 17.781) 18.527 5.756 ( -0.000 4.528 7.237) 8.537 5.945 ( -0.000 5.224 -9.702) 11.019 6.002 ( -0.000 5.967 -7.728) 9.763 6.186 ( -0.000 1.858 3.801) 4.231 6.290 ( 0.000 -1.690 -4.121) 4.454 6.467 ( 0.000 -0.129 -2.165) 2.169 6.513 ( 0.000 -1.398 -5.699) 5.868 6.542 ( -0.000 9.748 14.897) 17.803 6.685 ( -0.000 1.260 0.780) 1.481 6.685 ( -0.000 1.897 -0.349) 1.929 6.706 ( 0.000 -0.528 -2.668) 2.720 6.893 ( 0.000 -6.463 -1.595) 6.656 6.962 ( 0.000 -3.833 -1.729) 4.205 7.006 ( -0.000 1.180 -3.009) 3.232 7.049 ( 0.000 -1.406 -3.521) 3.791 7.206 ( 0.000 -1.451 5.800) 5.978 7.216 ( 0.000 -2.336 12.315) 12.534 7.306 ( 0.000 -0.071 -3.817) 3.818 7.385 ( 0.000 -2.740 -5.095) 5.785 7.895 ( 0.000 -0.006 4.599) 4.599 7.994 ( -0.000 0.219 -4.296) 4.301 8.150 ( 0.000 -2.247 -0.075) 2.248 8.153 ( 0.000 -1.444 -0.302) 1.476 8.232 ( -0.000 4.844 2.519) 5.460 8.304 ( -0.000 3.731 -4.443) 5.802 9.003 ( -0.000 0.600 5.153) 5.188 9.107 ( -0.000 2.224 -4.726) 5.224 9.137 ( 0.000 -2.115 11.112) 11.311 9.335 ( 0.000 -3.788 2.517) 4.548 9.380 ( 0.000 -5.295 -1.775) 5.584 9.447 ( 0.000 -1.369 -19.437) 19.485 10.347 ( -0.000 1.761 18.570) 18.653 10.642 ( -0.000 1.639 -10.689) 10.813 10.981 ( -0.000 1.225 0.798) 1.462 10.998 ( -0.000 1.261 -0.795) 1.491 12.441 ( -0.000 0.508 2.081) 2.142 12.487 ( 0.000 -2.528 -2.182) 3.340 12.892 ( 0.000 -0.741 2.151) 2.275 12.915 ( 0.000 -1.428 0.594) 1.546 12.932 ( 0.000 -0.071 1.340) 1.342 12.961 ( 0.000 -1.627 0.856) 1.839 12.968 ( 0.000 -0.095 -2.227) 2.229 13.034 ( 0.000 -2.208 -5.431) 5.863 13.061 ( 0.000 -0.096 2.054) 2.056 13.093 ( 0.000 -0.066 -1.163) 1.165 13.552 ( 0.000 -0.695 8.028) 8.058 13.705 ( 0.000 -1.056 -6.420) 6.507 14.105 ( -0.000 3.444 0.088) 3.445 14.106 ( -0.000 3.104 -0.016) 3.104 14.384 ( 0.000 -2.967 0.801) 3.073 14.399 ( 0.000 -2.726 -0.660) 2.805 15.340 ( 0.000 -0.402 0.056) 0.406 15.341 ( 0.000 -0.415 -0.056) 0.418 15.955 ( -0.000 0.266 0.000) 0.266 15.955 ( -0.000 0.273 -0.000) 0.273 16.312 ( 0.000 -0.824 2.155) 2.308 16.359 ( 0.000 -1.339 -2.151) 2.533 17.266 ( -0.000 6.155 3.730) 7.197 17.348 ( -0.000 4.064 -4.045) 5.734 17.488 ( -0.000 1.583 4.812) 5.065 17.586 ( -0.000 2.187 -4.373) 4.890 18.695 ( 0.000 -1.553 9.121) 9.252 18.841 ( -0.000 2.545 -2.314) 3.439 18.876 ( -0.000 2.850 0.910) 2.992 18.966 ( 0.000 -1.296 -9.576) 9.664 20.135 ( -0.000 0.671 0.265) 0.721 20.141 ( -0.000 0.694 -0.247) 0.737 21.121 ( 0.000 -0.116 11.003) 11.003 21.356 ( -0.000 0.349 -11.377) 11.382 21.446 ( -0.000 0.502 0.384) 0.633 21.455 ( -0.000 0.417 -0.516) 0.663 21.493 ( -0.000 0.444 0.376) 0.582 21.499 ( -0.000 0.324 -0.245) 0.406 21.619 ( -0.000 1.175 2.057) 2.368 21.643 ( -0.000 0.250 -0.647) 0.694 21.897 ( -0.000 3.423 2.939) 4.512 21.951 ( -0.000 3.026 -2.123) 3.697 23.261 ( -0.000 10.924 2.624) 11.235 23.323 ( -0.000 6.209 -3.293) 7.029 23.522 ( 0.000 -5.733 4.088) 7.042 23.609 ( 0.000 -4.813 -4.258) 6.426 24.291 ( 0.000 -2.777 4.030) 4.894 24.369 ( 0.000 -3.192 -3.251) 4.556 25.402 ( 0.000 -1.504 1.292) 1.983 25.430 ( 0.000 -1.431 -1.238) 1.892 =================== 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 3/27702 10.0 1183.055 1319.339 672.039 0.000 0.000 -0.000 3/27702 20.0 470.474 394.044 184.538 0.000 0.000 -0.000 3/27702 30.0 237.044 181.573 78.694 0.000 0.000 -0.000 3/27702 40.0 142.210 104.827 43.102 0.000 0.000 -0.000 3/27702 50.0 96.444 69.387 27.817 0.000 0.000 -0.000 3/27702 60.0 71.105 50.386 19.990 0.000 0.000 -0.000 3/27702 70.0 55.560 39.009 15.435 0.000 0.000 -0.000 3/27702 80.0 45.256 31.598 12.518 0.000 0.000 -0.000 3/27702 90.0 38.010 26.450 10.510 0.000 0.000 -0.000 3/27702 100.0 32.677 22.691 9.051 0.000 0.000 -0.000 3/27702 110.0 28.606 19.837 7.945 0.000 0.000 -0.000 3/27702 120.0 25.409 17.601 7.079 0.000 0.000 -0.000 3/27702 130.0 22.837 15.806 6.384 0.000 0.000 -0.000 3/27702 140.0 20.728 14.334 5.813 0.000 0.000 -0.000 3/27702 150.0 18.968 13.108 5.336 0.000 0.000 -0.000 3/27702 160.0 17.480 12.071 4.932 0.000 0.000 -0.000 3/27702 170.0 16.207 11.184 4.586 0.000 0.000 -0.000 3/27702 180.0 15.105 10.416 4.286 0.000 0.000 -0.000 3/27702 190.0 14.143 9.746 4.023 0.000 0.000 -0.000 3/27702 200.0 13.296 9.156 3.791 0.000 0.000 -0.000 3/27702 210.0 12.545 8.633 3.586 0.000 0.000 -0.000 3/27702 220.0 11.875 8.167 3.402 0.000 0.000 -0.000 3/27702 230.0 11.274 7.749 3.236 0.000 0.000 -0.000 3/27702 240.0 10.731 7.371 3.086 0.000 0.000 -0.000 3/27702 250.0 10.239 7.029 2.950 0.000 0.000 -0.000 3/27702 260.0 9.790 6.718 2.826 0.000 0.000 -0.000 3/27702 270.0 9.380 6.433 2.712 0.000 0.000 -0.000 3/27702 280.0 9.004 6.171 2.608 0.000 0.000 -0.000 3/27702 290.0 8.657 5.931 2.511 0.000 0.000 -0.000 3/27702 300.0 8.336 5.708 2.421 0.000 0.000 -0.000 3/27702 310.0 8.039 5.502 2.338 0.000 0.000 -0.000 3/27702 320.0 7.762 5.311 2.261 0.000 0.000 -0.000 3/27702 330.0 7.505 5.133 2.188 0.000 0.000 -0.000 3/27702 340.0 7.264 4.966 2.121 0.000 0.000 -0.000 3/27702 350.0 7.039 4.810 2.057 0.000 0.000 -0.000 3/27702 360.0 6.827 4.664 1.997 0.000 0.000 -0.000 3/27702 370.0 6.628 4.527 1.941 0.000 0.000 -0.000 3/27702 380.0 6.441 4.397 1.888 0.000 0.000 -0.000 3/27702 390.0 6.264 4.275 1.838 0.000 0.000 -0.000 3/27702 400.0 6.096 4.160 1.790 0.000 0.000 -0.000 3/27702 410.0 5.938 4.051 1.745 0.000 0.000 -0.000 3/27702 420.0 5.788 3.947 1.702 0.000 0.000 -0.000 3/27702 430.0 5.645 3.849 1.662 0.000 0.000 -0.000 3/27702 440.0 5.510 3.756 1.623 0.000 0.000 -0.000 3/27702 450.0 5.381 3.667 1.586 0.000 0.000 -0.000 3/27702 460.0 5.257 3.582 1.550 0.000 0.000 -0.000 3/27702 470.0 5.140 3.502 1.517 0.000 0.000 -0.000 3/27702 480.0 5.028 3.424 1.484 0.000 0.000 -0.000 3/27702 490.0 4.920 3.351 1.454 0.000 0.000 -0.000 3/27702 500.0 4.818 3.280 1.424 0.000 0.000 -0.000 3/27702 510.0 4.719 3.213 1.396 0.000 0.000 -0.000 3/27702 520.0 4.624 3.148 1.368 0.000 0.000 -0.000 3/27702 530.0 4.534 3.085 1.342 0.000 0.000 -0.000 3/27702 540.0 4.447 3.026 1.317 0.000 0.000 -0.000 3/27702 550.0 4.363 2.968 1.292 0.000 0.000 -0.000 3/27702 560.0 4.282 2.913 1.269 0.000 0.000 -0.000 3/27702 570.0 4.204 2.860 1.247 0.000 0.000 -0.000 3/27702 580.0 4.129 2.808 1.225 0.000 0.000 -0.000 3/27702 590.0 4.057 2.759 1.204 0.000 0.000 -0.000 3/27702 600.0 3.987 2.711 1.183 0.000 0.000 -0.000 3/27702 610.0 3.920 2.665 1.164 0.000 0.000 -0.000 3/27702 620.0 3.855 2.621 1.145 0.000 0.000 -0.000 3/27702 630.0 3.792 2.578 1.127 0.000 0.000 -0.000 3/27702 640.0 3.731 2.536 1.109 0.000 0.000 -0.000 3/27702 650.0 3.672 2.496 1.092 0.000 0.000 -0.000 3/27702 660.0 3.615 2.457 1.075 0.000 0.000 -0.000 3/27702 670.0 3.560 2.419 1.059 0.000 0.000 -0.000 3/27702 680.0 3.506 2.382 1.043 0.000 0.000 -0.000 3/27702 690.0 3.454 2.347 1.028 0.000 0.000 -0.000 3/27702 700.0 3.404 2.312 1.013 0.000 0.000 -0.000 3/27702 710.0 3.355 2.279 0.999 0.000 0.000 -0.000 3/27702 720.0 3.307 2.246 0.985 0.000 0.000 -0.000 3/27702 730.0 3.261 2.215 0.971 0.000 0.000 -0.000 3/27702 740.0 3.216 2.184 0.958 0.000 0.000 -0.000 3/27702 750.0 3.172 2.154 0.945 0.000 0.000 -0.000 3/27702 760.0 3.130 2.125 0.933 0.000 0.000 -0.000 3/27702 770.0 3.088 2.097 0.920 0.000 0.000 -0.000 3/27702 780.0 3.048 2.069 0.908 0.000 0.000 -0.000 3/27702 790.0 3.009 2.043 0.897 0.000 0.000 -0.000 3/27702 800.0 2.970 2.017 0.886 0.000 0.000 -0.000 3/27702 810.0 2.933 1.991 0.875 0.000 0.000 -0.000 3/27702 820.0 2.897 1.966 0.864 0.000 0.000 -0.000 3/27702 830.0 2.861 1.942 0.854 0.000 0.000 -0.000 3/27702 840.0 2.827 1.919 0.843 0.000 0.000 -0.000 3/27702 850.0 2.793 1.896 0.833 0.000 0.000 -0.000 3/27702 860.0 2.760 1.873 0.824 0.000 0.000 -0.000 3/27702 870.0 2.728 1.851 0.814 0.000 0.000 -0.000 3/27702 880.0 2.696 1.830 0.805 0.000 0.000 -0.000 3/27702 890.0 2.666 1.809 0.796 0.000 0.000 -0.000 3/27702 900.0 2.636 1.788 0.787 0.000 0.000 -0.000 3/27702 910.0 2.606 1.768 0.778 0.000 0.000 -0.000 3/27702 920.0 2.578 1.749 0.770 0.000 0.000 -0.000 3/27702 930.0 2.549 1.730 0.761 0.000 0.000 -0.000 3/27702 940.0 2.522 1.711 0.753 0.000 0.000 -0.000 3/27702 950.0 2.495 1.693 0.745 0.000 0.000 -0.000 3/27702 960.0 2.469 1.675 0.738 0.000 0.000 -0.000 3/27702 970.0 2.443 1.657 0.730 0.000 0.000 -0.000 3/27702 980.0 2.418 1.640 0.722 0.000 0.000 -0.000 3/27702 990.0 2.393 1.623 0.715 0.000 0.000 -0.000 3/27702 1000.0 2.369 1.607 0.708 0.000 0.000 -0.000 3/27702 Thermal conductivity related properties were written into "kappa-m993.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:15:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|