----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:12:19]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62c (190) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.703637719629137 0.000000000000000 0.000000000000000 b -4.351818859814569 7.537571370535294 0.000000000000000 c 0.000000000000000 0.000000000000000 10.804043210000000 Atomic positions (fractional): *1 Al 0.66666666666667 0.33333333333333 0.02809383896152 26.982 2 Al 0.66666666666667 0.33333333333333 0.47190616103848 26.982 3 Al 0.33333333333333 0.66666666666667 0.52809383896152 26.982 4 Al 0.33333333333333 0.66666666666667 0.97190616103848 26.982 *5 H 0.58079892140803 0.78138416626287 0.36061235169003 1.008 6 H 0.20058524485484 0.41920107859197 0.36061235169003 1.008 7 H 0.21861583373713 0.79941475514516 0.36061235169003 1.008 8 H 0.58079892140803 0.78138416626287 0.13938764830997 1.008 9 H 0.20058524485484 0.41920107859197 0.13938764830997 1.008 10 H 0.21861583373713 0.79941475514516 0.13938764830997 1.008 11 H 0.41920107859197 0.20058524485484 0.86061235169003 1.008 12 H 0.79941475514516 0.21861583373713 0.86061235169003 1.008 13 H 0.78138416626287 0.58079892140803 0.86061235169003 1.008 14 H 0.41920107859197 0.20058524485484 0.63938764830997 1.008 15 H 0.79941475514516 0.21861583373713 0.63938764830997 1.008 16 H 0.78138416626287 0.58079892140803 0.63938764830997 1.008 *17 H 0.52404533031882 0.57685985088284 0.40420706187262 1.008 18 H 0.05281452056401 0.47595466968118 0.40420706187262 1.008 19 H 0.42314014911716 0.94718547943599 0.40420706187262 1.008 20 H 0.52404533031882 0.57685985088284 0.09579293812738 1.008 21 H 0.05281452056401 0.47595466968118 0.09579293812738 1.008 22 H 0.42314014911716 0.94718547943599 0.09579293812738 1.008 23 H 0.47595466968118 0.05281452056401 0.90420706187262 1.008 24 H 0.94718547943599 0.42314014911716 0.90420706187262 1.008 25 H 0.57685985088284 0.52404533031882 0.90420706187262 1.008 26 H 0.47595466968118 0.05281452056401 0.59579293812738 1.008 27 H 0.94718547943599 0.42314014911716 0.59579293812738 1.008 28 H 0.57685985088284 0.52404533031882 0.59579293812738 1.008 *29 Se 0.73716847304187 0.12349458370416 0.25000000000000 78.960 30 Se 0.38632611066229 0.26283152695813 0.25000000000000 78.960 31 Se 0.87650541629584 0.61367388933771 0.25000000000000 78.960 32 Se 0.26283152695813 0.38632611066229 0.75000000000000 78.960 33 Se 0.61367388933771 0.87650541629584 0.75000000000000 78.960 34 Se 0.12349458370416 0.73716847304187 0.75000000000000 78.960 *35 O 0.31213369914848 0.83404298125605 0.42849433827787 15.999 36 O 0.52190928210757 0.68786630085152 0.42849433827787 15.999 37 O 0.16595701874395 0.47809071789243 0.42849433827787 15.999 38 O 0.31213369914848 0.83404298125605 0.07150566172213 15.999 39 O 0.52190928210757 0.68786630085152 0.07150566172213 15.999 40 O 0.16595701874395 0.47809071789243 0.07150566172213 15.999 41 O 0.68786630085152 0.52190928210757 0.92849433827787 15.999 42 O 0.47809071789243 0.16595701874395 0.92849433827787 15.999 43 O 0.83404298125605 0.31213369914848 0.92849433827787 15.999 44 O 0.68786630085152 0.52190928210757 0.57150566172213 15.999 45 O 0.47809071789243 0.16595701874395 0.57150566172213 15.999 46 O 0.83404298125605 0.31213369914848 0.57150566172213 15.999 *47 O 0.87041286669488 0.48100790482987 0.12702079967672 15.999 48 O 0.61059503813500 0.12958713330512 0.12702079967672 15.999 49 O 0.51899209517013 0.38940496186500 0.12702079967672 15.999 50 O 0.87041286669488 0.48100790482987 0.37297920032328 15.999 51 O 0.61059503813500 0.12958713330512 0.37297920032328 15.999 52 O 0.51899209517013 0.38940496186500 0.37297920032328 15.999 53 O 0.12958713330512 0.61059503813500 0.62702079967672 15.999 54 O 0.38940496186500 0.51899209517013 0.62702079967672 15.999 55 O 0.48100790482987 0.87041286669488 0.62702079967672 15.999 56 O 0.12958713330512 0.61059503813500 0.87297920032328 15.999 57 O 0.38940496186500 0.51899209517013 0.87297920032328 15.999 58 O 0.48100790482987 0.87041286669488 0.87297920032328 15.999 *59 O 0.67210496052163 0.90524099915835 0.25000000000000 15.999 60 O 0.23313603863672 0.32789503947837 0.25000000000000 15.999 61 O 0.09475900084165 0.76686396136328 0.25000000000000 15.999 62 O 0.32789503947837 0.23313603863672 0.75000000000000 15.999 63 O 0.76686396136328 0.09475900084165 0.75000000000000 15.999 64 O 0.90524099915835 0.67210496052163 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.703637719629137 0.000000000000000 0.000000000000000 b -4.351818859814569 7.537571370535294 0.000000000000000 c 0.000000000000000 0.000000000000000 10.804043210000000 Atomic positions (fractional): *1 Al 0.66666666666667 0.33333333333333 0.02809383896152 26.982 > 1 2 Al 0.66666666666667 0.33333333333333 0.47190616103848 26.982 > 2 3 Al 0.33333333333333 0.66666666666667 0.52809383896152 26.982 > 3 4 Al 0.33333333333333 0.66666666666667 0.97190616103848 26.982 > 4 *5 H 0.58079892140803 0.78138416626287 0.36061235169003 1.008 > 5 6 H 0.20058524485484 0.41920107859197 0.36061235169003 1.008 > 6 7 H 0.21861583373713 0.79941475514516 0.36061235169003 1.008 > 7 8 H 0.58079892140803 0.78138416626287 0.13938764830997 1.008 > 8 9 H 0.20058524485484 0.41920107859197 0.13938764830997 1.008 > 9 10 H 0.21861583373713 0.79941475514516 0.13938764830997 1.008 > 10 11 H 0.41920107859197 0.20058524485484 0.86061235169003 1.008 > 11 12 H 0.79941475514516 0.21861583373713 0.86061235169003 1.008 > 12 13 H 0.78138416626287 0.58079892140803 0.86061235169003 1.008 > 13 14 H 0.41920107859197 0.20058524485484 0.63938764830997 1.008 > 14 15 H 0.79941475514516 0.21861583373713 0.63938764830997 1.008 > 15 16 H 0.78138416626287 0.58079892140803 0.63938764830997 1.008 > 16 *17 H 0.52404533031882 0.57685985088284 0.40420706187262 1.008 > 17 18 H 0.05281452056401 0.47595466968118 0.40420706187262 1.008 > 18 19 H 0.42314014911716 0.94718547943599 0.40420706187262 1.008 > 19 20 H 0.52404533031882 0.57685985088284 0.09579293812738 1.008 > 20 21 H 0.05281452056401 0.47595466968118 0.09579293812738 1.008 > 21 22 H 0.42314014911716 0.94718547943599 0.09579293812738 1.008 > 22 23 H 0.47595466968118 0.05281452056401 0.90420706187262 1.008 > 23 24 H 0.94718547943599 0.42314014911716 0.90420706187262 1.008 > 24 25 H 0.57685985088284 0.52404533031882 0.90420706187262 1.008 > 25 26 H 0.47595466968118 0.05281452056401 0.59579293812738 1.008 > 26 27 H 0.94718547943599 0.42314014911716 0.59579293812738 1.008 > 27 28 H 0.57685985088284 0.52404533031882 0.59579293812738 1.008 > 28 *29 Se 0.73716847304187 0.12349458370416 0.25000000000000 78.960 > 29 30 Se 0.38632611066229 0.26283152695813 0.25000000000000 78.960 > 30 31 Se 0.87650541629584 0.61367388933771 0.25000000000000 78.960 > 31 32 Se 0.26283152695813 0.38632611066229 0.75000000000000 78.960 > 32 33 Se 0.61367388933771 0.87650541629584 0.75000000000000 78.960 > 33 34 Se 0.12349458370416 0.73716847304187 0.75000000000000 78.960 > 34 *35 O 0.31213369914848 0.83404298125605 0.42849433827787 15.999 > 35 36 O 0.52190928210757 0.68786630085152 0.42849433827787 15.999 > 36 37 O 0.16595701874395 0.47809071789243 0.42849433827787 15.999 > 37 38 O 0.31213369914848 0.83404298125605 0.07150566172213 15.999 > 38 39 O 0.52190928210757 0.68786630085152 0.07150566172213 15.999 > 39 40 O 0.16595701874395 0.47809071789243 0.07150566172213 15.999 > 40 41 O 0.68786630085152 0.52190928210757 0.92849433827787 15.999 > 41 42 O 0.47809071789243 0.16595701874395 0.92849433827787 15.999 > 42 43 O 0.83404298125605 0.31213369914848 0.92849433827787 15.999 > 43 44 O 0.68786630085152 0.52190928210757 0.57150566172213 15.999 > 44 45 O 0.47809071789243 0.16595701874395 0.57150566172213 15.999 > 45 46 O 0.83404298125605 0.31213369914848 0.57150566172213 15.999 > 46 *47 O 0.87041286669488 0.48100790482987 0.12702079967672 15.999 > 47 48 O 0.61059503813500 0.12958713330512 0.12702079967672 15.999 > 48 49 O 0.51899209517013 0.38940496186500 0.12702079967672 15.999 > 49 50 O 0.87041286669488 0.48100790482987 0.37297920032328 15.999 > 50 51 O 0.61059503813500 0.12958713330512 0.37297920032328 15.999 > 51 52 O 0.51899209517013 0.38940496186500 0.37297920032328 15.999 > 52 53 O 0.12958713330512 0.61059503813500 0.62702079967672 15.999 > 53 54 O 0.38940496186500 0.51899209517013 0.62702079967672 15.999 > 54 55 O 0.48100790482987 0.87041286669488 0.62702079967672 15.999 > 55 56 O 0.12958713330512 0.61059503813500 0.87297920032328 15.999 > 56 57 O 0.38940496186500 0.51899209517013 0.87297920032328 15.999 > 57 58 O 0.48100790482987 0.87041286669488 0.87297920032328 15.999 > 58 *59 O 0.67210496052163 0.90524099915835 0.25000000000000 15.999 > 59 60 O 0.23313603863672 0.32789503947837 0.25000000000000 15.999 > 60 61 O 0.09475900084165 0.76686396136328 0.25000000000000 15.999 > 61 62 O 0.32789503947837 0.23313603863672 0.75000000000000 15.999 > 62 63 O 0.76686396136328 0.09475900084165 0.75000000000000 15.999 > 63 64 O 0.90524099915835 0.67210496052163 0.75000000000000 15.999 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.703637719629137 0.000000000000000 0.000000000000000 b -4.351818859814569 7.537571370535294 0.000000000000000 c 0.000000000000000 0.000000000000000 10.804043210000000 Atomic positions (fractional): *1 Al 0.66666666666667 0.33333333333333 0.02809383896152 26.982 > 1 2 Al 0.66666666666667 0.33333333333333 0.47190616103848 26.982 > 2 3 Al 0.33333333333333 0.66666666666667 0.52809383896152 26.982 > 3 4 Al 0.33333333333333 0.66666666666667 0.97190616103848 26.982 > 4 *5 H 0.58079892140803 0.78138416626287 0.36061235169003 1.008 > 5 6 H 0.20058524485484 0.41920107859197 0.36061235169003 1.008 > 6 7 H 0.21861583373713 0.79941475514516 0.36061235169003 1.008 > 7 8 H 0.58079892140803 0.78138416626287 0.13938764830997 1.008 > 8 9 H 0.20058524485484 0.41920107859197 0.13938764830997 1.008 > 9 10 H 0.21861583373713 0.79941475514516 0.13938764830997 1.008 > 10 11 H 0.41920107859197 0.20058524485484 0.86061235169003 1.008 > 11 12 H 0.79941475514516 0.21861583373713 0.86061235169003 1.008 > 12 13 H 0.78138416626287 0.58079892140803 0.86061235169003 1.008 > 13 14 H 0.41920107859197 0.20058524485484 0.63938764830997 1.008 > 14 15 H 0.79941475514516 0.21861583373713 0.63938764830997 1.008 > 15 16 H 0.78138416626287 0.58079892140803 0.63938764830997 1.008 > 16 *17 H 0.52404533031882 0.57685985088284 0.40420706187262 1.008 > 17 18 H 0.05281452056401 0.47595466968118 0.40420706187262 1.008 > 18 19 H 0.42314014911716 0.94718547943599 0.40420706187262 1.008 > 19 20 H 0.52404533031882 0.57685985088284 0.09579293812738 1.008 > 20 21 H 0.05281452056401 0.47595466968118 0.09579293812738 1.008 > 21 22 H 0.42314014911716 0.94718547943599 0.09579293812738 1.008 > 22 23 H 0.47595466968118 0.05281452056401 0.90420706187262 1.008 > 23 24 H 0.94718547943599 0.42314014911716 0.90420706187262 1.008 > 24 25 H 0.57685985088284 0.52404533031882 0.90420706187262 1.008 > 25 26 H 0.47595466968118 0.05281452056401 0.59579293812738 1.008 > 26 27 H 0.94718547943599 0.42314014911716 0.59579293812738 1.008 > 27 28 H 0.57685985088284 0.52404533031882 0.59579293812738 1.008 > 28 *29 Se 0.73716847304187 0.12349458370416 0.25000000000000 78.960 > 29 30 Se 0.38632611066229 0.26283152695813 0.25000000000000 78.960 > 30 31 Se 0.87650541629584 0.61367388933771 0.25000000000000 78.960 > 31 32 Se 0.26283152695813 0.38632611066229 0.75000000000000 78.960 > 32 33 Se 0.61367388933771 0.87650541629584 0.75000000000000 78.960 > 33 34 Se 0.12349458370416 0.73716847304187 0.75000000000000 78.960 > 34 *35 O 0.31213369914848 0.83404298125605 0.42849433827787 15.999 > 35 36 O 0.52190928210757 0.68786630085152 0.42849433827787 15.999 > 36 37 O 0.16595701874395 0.47809071789243 0.42849433827787 15.999 > 37 38 O 0.31213369914848 0.83404298125605 0.07150566172213 15.999 > 38 39 O 0.52190928210757 0.68786630085152 0.07150566172213 15.999 > 39 40 O 0.16595701874395 0.47809071789243 0.07150566172213 15.999 > 40 41 O 0.68786630085152 0.52190928210757 0.92849433827787 15.999 > 41 42 O 0.47809071789243 0.16595701874395 0.92849433827787 15.999 > 42 43 O 0.83404298125605 0.31213369914848 0.92849433827787 15.999 > 43 44 O 0.68786630085152 0.52190928210757 0.57150566172213 15.999 > 44 45 O 0.47809071789243 0.16595701874395 0.57150566172213 15.999 > 45 46 O 0.83404298125605 0.31213369914848 0.57150566172213 15.999 > 46 *47 O 0.87041286669488 0.48100790482987 0.12702079967672 15.999 > 47 48 O 0.61059503813500 0.12958713330512 0.12702079967672 15.999 > 48 49 O 0.51899209517013 0.38940496186500 0.12702079967672 15.999 > 49 50 O 0.87041286669488 0.48100790482987 0.37297920032328 15.999 > 50 51 O 0.61059503813500 0.12958713330512 0.37297920032328 15.999 > 51 52 O 0.51899209517013 0.38940496186500 0.37297920032328 15.999 > 52 53 O 0.12958713330512 0.61059503813500 0.62702079967672 15.999 > 53 54 O 0.38940496186500 0.51899209517013 0.62702079967672 15.999 > 54 55 O 0.48100790482987 0.87041286669488 0.62702079967672 15.999 > 55 56 O 0.12958713330512 0.61059503813500 0.87297920032328 15.999 > 56 57 O 0.38940496186500 0.51899209517013 0.87297920032328 15.999 > 57 58 O 0.48100790482987 0.87041286669488 0.87297920032328 15.999 > 58 *59 O 0.67210496052163 0.90524099915835 0.25000000000000 15.999 > 59 60 O 0.23313603863672 0.32789503947837 0.25000000000000 15.999 > 60 61 O 0.09475900084165 0.76686396136328 0.25000000000000 15.999 > 61 62 O 0.32789503947837 0.23313603863672 0.75000000000000 15.999 > 62 63 O 0.76686396136328 0.09475900084165 0.75000000000000 15.999 > 63 64 O 0.90524099915835 0.67210496052163 0.75000000000000 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5485955 -0.0000000 0.0000000 0.0000000 2.5485955 0.0000000 0.0000000 0.0000000 2.6177325 -------------------------- Born effective charges -------------------------- 1 Al 2.7281113 -0.0329558 0.0000000 0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 2 Al 2.7281113 -0.0329558 0.0000000 0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 3 Al 2.7281113 0.0329558 0.0000000 -0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 4 Al 2.7281113 0.0329558 0.0000000 -0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 5 H 0.2768548 -0.1078468 0.1064636 0.1437935 1.2049122 -0.9843085 -0.0968571 -0.7220993 0.9353672 6 H 0.9573324 -0.5366675 -0.9056680 -0.2850271 0.5244345 0.3999541 -0.5769278 0.4449303 0.9353672 7 H 0.9884632 0.2670537 0.7992044 0.5186941 0.4933038 0.5843544 0.6737849 0.2771690 0.9353672 8 H 0.2768548 -0.1078468 -0.1064636 0.1437935 1.2049122 0.9843085 0.0968571 0.7220993 0.9353672 9 H 0.9573324 -0.5366675 0.9056680 -0.2850271 0.5244345 -0.3999541 0.5769278 -0.4449303 0.9353672 10 H 0.9884632 0.2670537 -0.7992044 0.5186941 0.4933038 -0.5843544 -0.6737849 -0.2771690 0.9353672 11 H 0.9884632 -0.2670537 0.7992044 -0.5186941 0.4933038 -0.5843544 0.6737849 -0.2771690 0.9353672 12 H 0.2768548 0.1078468 0.1064636 -0.1437935 1.2049122 0.9843085 -0.0968571 0.7220993 0.9353672 13 H 0.9573324 0.5366675 -0.9056680 0.2850271 0.5244345 -0.3999541 -0.5769278 -0.4449303 0.9353672 14 H 0.9884632 -0.2670537 -0.7992044 -0.5186941 0.4933038 0.5843544 -0.6737849 0.2771690 0.9353672 15 H 0.2768548 0.1078468 -0.1064636 -0.1437935 1.2049122 -0.9843085 0.0968571 -0.7220993 0.9353672 16 H 0.9573324 0.5366675 0.9056680 0.2850271 0.5244345 0.3999541 0.5769278 0.4449303 0.9353672 17 H 0.6282399 -0.5169889 -0.1007436 -0.5070661 1.1169962 0.2210503 -0.2417377 0.4977693 0.4550108 18 H 1.4382360 0.0394146 0.2418070 0.0493375 0.3070002 -0.0232786 0.5519497 -0.0395337 0.4550108 19 H 0.5513783 0.4626900 -0.1410634 0.4726129 1.1938578 -0.1977717 -0.3102120 -0.4582356 0.4550108 20 H 0.6282399 -0.5169889 0.1007436 -0.5070661 1.1169962 -0.2210503 0.2417377 -0.4977693 0.4550108 21 H 1.4382360 0.0394146 -0.2418070 0.0493375 0.3070002 0.0232786 -0.5519497 0.0395337 0.4550108 22 H 0.5513783 0.4626900 0.1410634 0.4726129 1.1938578 0.1977717 0.3102120 0.4582356 0.4550108 23 H 0.5513783 -0.4626900 -0.1410634 -0.4726129 1.1938578 0.1977717 -0.3102120 0.4582356 0.4550108 24 H 0.6282399 0.5169889 -0.1007436 0.5070661 1.1169962 -0.2210503 -0.2417377 -0.4977693 0.4550108 25 H 1.4382360 -0.0394146 0.2418070 -0.0493375 0.3070002 0.0232786 0.5519497 0.0395337 0.4550108 26 H 0.5513783 -0.4626900 0.1410634 -0.4726129 1.1938578 -0.1977717 0.3102120 -0.4582356 0.4550108 27 H 0.6282399 0.5169889 0.1007436 0.5070661 1.1169962 0.2210503 0.2417377 0.4977693 0.4550108 28 H 1.4382360 -0.0394146 -0.2418070 -0.0493375 0.3070002 -0.0232786 -0.5519497 -0.0395337 0.4550108 29 Se 1.9484772 -0.5184466 0.0000000 -0.7916128 2.8229701 0.0000000 0.0000000 -0.0000000 2.3913523 30 Se 3.1716193 0.0854314 0.0000000 -0.1877348 1.5998281 0.0000000 0.0000000 -0.0000000 2.3913523 31 Se 2.0370746 0.8427645 0.0000000 0.5695983 2.7343728 0.0000000 0.0000000 -0.0000000 2.3913523 32 Se 2.0370746 -0.8427645 0.0000000 -0.5695983 2.7343728 0.0000000 0.0000000 -0.0000000 2.3913523 33 Se 1.9484772 0.5184466 0.0000000 0.7916128 2.8229701 0.0000000 0.0000000 -0.0000000 2.3913523 34 Se 3.1716193 -0.0854314 0.0000000 0.1877348 1.5998281 0.0000000 0.0000000 -0.0000000 2.3913523 35 O -1.2955285 -0.3390249 -0.4531085 -0.4831850 -1.4737270 -0.1096597 -0.3648069 0.2631334 -1.4313122 36 O -1.0731501 0.3547947 0.1315862 0.2106346 -1.6961055 0.4472333 0.4102836 0.1843654 -1.4313122 37 O -1.7852047 0.2004703 0.3215223 0.0563102 -0.9840508 -0.3375736 -0.0454767 -0.4474987 -1.4313122 38 O -1.2955285 -0.3390249 0.4531085 -0.4831850 -1.4737270 0.1096597 0.3648069 -0.2631334 -1.4313122 39 O -1.0731501 0.3547947 -0.1315862 0.2106346 -1.6961055 -0.4472333 -0.4102836 -0.1843654 -1.4313122 40 O -1.7852047 0.2004703 -0.3215223 0.0563102 -0.9840508 0.3375736 0.0454767 0.4474987 -1.4313122 41 O -1.7852047 -0.2004703 0.3215223 -0.0563102 -0.9840508 0.3375736 -0.0454767 0.4474987 -1.4313122 42 O -1.2955285 0.3390249 -0.4531085 0.4831850 -1.4737270 0.1096597 -0.3648069 -0.2631334 -1.4313122 43 O -1.0731501 -0.3547947 0.1315862 -0.2106346 -1.6961055 -0.4472333 0.4102836 -0.1843654 -1.4313122 44 O -1.7852047 -0.2004703 -0.3215223 -0.0563102 -0.9840508 -0.3375736 0.0454767 -0.4474987 -1.4313122 45 O -1.2955285 0.3390249 0.4531085 0.4831850 -1.4737270 -0.1096597 0.3648069 0.2631334 -1.4313122 46 O -1.0731501 -0.3547947 -0.1315862 -0.2106346 -1.6961055 0.4472333 -0.4102836 0.1843654 -1.4313122 47 O -1.4370192 -0.3144560 -0.0781482 0.0311916 -1.5051799 -0.5998937 0.4041906 -0.7569505 -1.8104899 48 O -1.3654826 -0.0724933 -0.4804491 0.2731544 -1.5767165 0.3676251 -0.8576337 0.0284359 -1.8104899 49 O -1.6107968 -0.1315221 0.5585972 0.2141255 -1.3314023 0.2322685 0.4534431 0.7285146 -1.8104899 50 O -1.4370192 -0.3144560 0.0781482 0.0311916 -1.5051799 0.5998937 -0.4041906 0.7569505 -1.8104899 51 O -1.3654826 -0.0724933 0.4804491 0.2731544 -1.5767165 -0.3676251 0.8576337 -0.0284359 -1.8104899 52 O -1.6107968 -0.1315221 -0.5585972 0.2141255 -1.3314023 -0.2322685 -0.4534431 -0.7285146 -1.8104899 53 O -1.6107968 0.1315221 0.5585972 -0.2141255 -1.3314023 -0.2322685 0.4534431 -0.7285146 -1.8104899 54 O -1.4370192 0.3144560 -0.0781482 -0.0311916 -1.5051799 0.5998937 0.4041906 0.7569505 -1.8104899 55 O -1.3654826 0.0724933 -0.4804491 -0.2731544 -1.5767165 -0.3676251 -0.8576337 -0.0284359 -1.8104899 56 O -1.6107968 0.1315221 -0.5585972 -0.2141255 -1.3314023 0.2322685 -0.4534431 0.7285146 -1.8104899 57 O -1.4370192 0.3144560 0.0781482 -0.0311916 -1.5051799 -0.5998937 -0.4041906 -0.7569505 -1.8104899 58 O -1.3654826 0.0724933 0.4804491 -0.2731544 -1.5767165 0.3676251 0.8576337 0.0284359 -1.8104899 59 O -0.7295746 0.7611514 0.0000000 0.0134796 -2.7104515 0.0000000 0.0000000 -0.0000000 -1.1433477 60 O -2.5506574 1.0379230 0.0000000 0.2902512 -0.8893687 0.0000000 0.0000000 -0.0000000 -1.1433477 61 O -1.8798072 -0.6775667 0.0000000 -1.4252385 -1.5602189 0.0000000 0.0000000 -0.0000000 -1.1433477 62 O -1.8798072 0.6775667 0.0000000 1.4252385 -1.5602189 0.0000000 0.0000000 -0.0000000 -1.1433477 63 O -0.7295746 -0.7611514 0.0000000 -0.0134796 -2.7104515 0.0000000 0.0000000 -0.0000000 -1.1433477 64 O -2.5506574 -1.0379230 0.0000000 -0.2902512 -0.8893687 0.0000000 0.0000000 -0.0000000 -1.1433477 ---------------------------------------------------------------------------- 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: 192/192 Permutation basis: 18336/18336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1606 Number of blocks in projector: 744 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 750 Use submatrix version of eigh solver. (1) Block: 500 / 750 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 750 / 750 (1) 224 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 656 / 656 (1) 140 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1606, 1557), data: False |-- (200, 193), data: True |-- (656, 640), data: False |-- (656, 16), data: (656, 32) @ (32, 16) |-- (156, 140), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (750, 724), data: False |-- (750, 26), data: (750, 52) @ (52, 26) |-- (250, 224), data: True |-- (500, 474), data: False |-- (500, 26), data: (500, 52) @ (52, 26) |-- (250, 224), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 64 / 64 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 1.301 Solver_block: 200 / 640 - Time: 1.310 Solver_block: 300 / 640 - Time: 1.305 Solver_block: 400 / 640 - Time: 1.306 Solver_block: 500 / 640 - Time: 1.306 Solver_block: 600 / 640 - Time: 1.304 Solver_block: 640 / 640 - Time: 0.591 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.458 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 192/192 Permutation basis: 18336/18336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1606 Number of blocks in projector: 744 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 750 Use submatrix version of eigh solver. (1) Block: 500 / 750 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 750 / 750 (1) 224 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 656 / 656 (1) 140 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1606, 1557), data: False |-- (200, 193), data: True |-- (656, 640), data: False |-- (656, 16), data: (656, 32) @ (32, 16) |-- (156, 140), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (750, 724), data: False |-- (750, 26), data: (750, 52) @ (52, 26) |-- (250, 224), data: True |-- (500, 474), data: False |-- (500, 26), data: (500, 52) @ (52, 26) |-- (250, 224), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:12:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:12:44]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62c (190) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.703637719629137 0.000000000000000 0.000000000000000 b -4.351818859814569 7.537571370535294 0.000000000000000 c 0.000000000000000 0.000000000000000 10.804043210000000 Atomic positions (fractional): 1 Al 0.66666666666667 0.33333333333333 0.02809383896152 26.982 2 Al 0.66666666666667 0.33333333333333 0.47190616103848 26.982 3 Al 0.33333333333333 0.66666666666667 0.52809383896152 26.982 4 Al 0.33333333333333 0.66666666666667 0.97190616103848 26.982 5 H 0.58079892140803 0.78138416626287 0.36061235169003 1.008 6 H 0.20058524485484 0.41920107859197 0.36061235169003 1.008 7 H 0.21861583373713 0.79941475514516 0.36061235169003 1.008 8 H 0.58079892140803 0.78138416626287 0.13938764830997 1.008 9 H 0.20058524485484 0.41920107859197 0.13938764830997 1.008 10 H 0.21861583373713 0.79941475514516 0.13938764830997 1.008 11 H 0.41920107859197 0.20058524485484 0.86061235169003 1.008 12 H 0.79941475514516 0.21861583373713 0.86061235169003 1.008 13 H 0.78138416626287 0.58079892140803 0.86061235169003 1.008 14 H 0.41920107859197 0.20058524485484 0.63938764830997 1.008 15 H 0.79941475514516 0.21861583373713 0.63938764830997 1.008 16 H 0.78138416626287 0.58079892140803 0.63938764830997 1.008 17 H 0.52404533031882 0.57685985088284 0.40420706187262 1.008 18 H 0.05281452056401 0.47595466968118 0.40420706187262 1.008 19 H 0.42314014911716 0.94718547943599 0.40420706187262 1.008 20 H 0.52404533031882 0.57685985088284 0.09579293812738 1.008 21 H 0.05281452056401 0.47595466968118 0.09579293812738 1.008 22 H 0.42314014911716 0.94718547943599 0.09579293812738 1.008 23 H 0.47595466968118 0.05281452056401 0.90420706187262 1.008 24 H 0.94718547943599 0.42314014911716 0.90420706187262 1.008 25 H 0.57685985088284 0.52404533031882 0.90420706187262 1.008 26 H 0.47595466968118 0.05281452056401 0.59579293812738 1.008 27 H 0.94718547943599 0.42314014911716 0.59579293812738 1.008 28 H 0.57685985088284 0.52404533031882 0.59579293812738 1.008 29 Se 0.73716847304187 0.12349458370416 0.25000000000000 78.960 30 Se 0.38632611066229 0.26283152695813 0.25000000000000 78.960 31 Se 0.87650541629584 0.61367388933771 0.25000000000000 78.960 32 Se 0.26283152695813 0.38632611066229 0.75000000000000 78.960 33 Se 0.61367388933771 0.87650541629584 0.75000000000000 78.960 34 Se 0.12349458370416 0.73716847304187 0.75000000000000 78.960 35 O 0.31213369914848 0.83404298125605 0.42849433827787 15.999 36 O 0.52190928210757 0.68786630085152 0.42849433827787 15.999 37 O 0.16595701874395 0.47809071789243 0.42849433827787 15.999 38 O 0.31213369914848 0.83404298125605 0.07150566172213 15.999 39 O 0.52190928210757 0.68786630085152 0.07150566172213 15.999 40 O 0.16595701874395 0.47809071789243 0.07150566172213 15.999 41 O 0.68786630085152 0.52190928210757 0.92849433827787 15.999 42 O 0.47809071789243 0.16595701874395 0.92849433827787 15.999 43 O 0.83404298125605 0.31213369914848 0.92849433827787 15.999 44 O 0.68786630085152 0.52190928210757 0.57150566172213 15.999 45 O 0.47809071789243 0.16595701874395 0.57150566172213 15.999 46 O 0.83404298125605 0.31213369914848 0.57150566172213 15.999 47 O 0.87041286669488 0.48100790482987 0.12702079967672 15.999 48 O 0.61059503813500 0.12958713330512 0.12702079967672 15.999 49 O 0.51899209517013 0.38940496186500 0.12702079967672 15.999 50 O 0.87041286669488 0.48100790482987 0.37297920032328 15.999 51 O 0.61059503813500 0.12958713330512 0.37297920032328 15.999 52 O 0.51899209517013 0.38940496186500 0.37297920032328 15.999 53 O 0.12958713330512 0.61059503813500 0.62702079967672 15.999 54 O 0.38940496186500 0.51899209517013 0.62702079967672 15.999 55 O 0.48100790482987 0.87041286669488 0.62702079967672 15.999 56 O 0.12958713330512 0.61059503813500 0.87297920032328 15.999 57 O 0.38940496186500 0.51899209517013 0.87297920032328 15.999 58 O 0.48100790482987 0.87041286669488 0.87297920032328 15.999 59 O 0.67210496052163 0.90524099915835 0.25000000000000 15.999 60 O 0.23313603863672 0.32789503947837 0.25000000000000 15.999 61 O 0.09475900084165 0.76686396136328 0.25000000000000 15.999 62 O 0.32789503947837 0.23313603863672 0.75000000000000 15.999 63 O 0.76686396136328 0.09475900084165 0.75000000000000 15.999 64 O 0.90524099915835 0.67210496052163 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.703637719629137 0.000000000000000 0.000000000000000 b -4.351818859814569 7.537571370535294 0.000000000000000 c 0.000000000000000 0.000000000000000 10.804043210000000 Atomic positions (fractional): 1 Al 0.66666666666667 0.33333333333333 0.02809383896152 26.982 > 1 2 Al 0.66666666666667 0.33333333333333 0.47190616103848 26.982 > 2 3 Al 0.33333333333333 0.66666666666667 0.52809383896152 26.982 > 3 4 Al 0.33333333333333 0.66666666666667 0.97190616103848 26.982 > 4 5 H 0.58079892140803 0.78138416626287 0.36061235169003 1.008 > 5 6 H 0.20058524485484 0.41920107859197 0.36061235169003 1.008 > 6 7 H 0.21861583373713 0.79941475514516 0.36061235169003 1.008 > 7 8 H 0.58079892140803 0.78138416626287 0.13938764830997 1.008 > 8 9 H 0.20058524485484 0.41920107859197 0.13938764830997 1.008 > 9 10 H 0.21861583373713 0.79941475514516 0.13938764830997 1.008 > 10 11 H 0.41920107859197 0.20058524485484 0.86061235169003 1.008 > 11 12 H 0.79941475514516 0.21861583373713 0.86061235169003 1.008 > 12 13 H 0.78138416626287 0.58079892140803 0.86061235169003 1.008 > 13 14 H 0.41920107859197 0.20058524485484 0.63938764830997 1.008 > 14 15 H 0.79941475514516 0.21861583373713 0.63938764830997 1.008 > 15 16 H 0.78138416626287 0.58079892140803 0.63938764830997 1.008 > 16 17 H 0.52404533031882 0.57685985088284 0.40420706187262 1.008 > 17 18 H 0.05281452056401 0.47595466968118 0.40420706187262 1.008 > 18 19 H 0.42314014911716 0.94718547943599 0.40420706187262 1.008 > 19 20 H 0.52404533031882 0.57685985088284 0.09579293812738 1.008 > 20 21 H 0.05281452056401 0.47595466968118 0.09579293812738 1.008 > 21 22 H 0.42314014911716 0.94718547943599 0.09579293812738 1.008 > 22 23 H 0.47595466968118 0.05281452056401 0.90420706187262 1.008 > 23 24 H 0.94718547943599 0.42314014911716 0.90420706187262 1.008 > 24 25 H 0.57685985088284 0.52404533031882 0.90420706187262 1.008 > 25 26 H 0.47595466968118 0.05281452056401 0.59579293812738 1.008 > 26 27 H 0.94718547943599 0.42314014911716 0.59579293812738 1.008 > 27 28 H 0.57685985088284 0.52404533031882 0.59579293812738 1.008 > 28 29 Se 0.73716847304187 0.12349458370416 0.25000000000000 78.960 > 29 30 Se 0.38632611066229 0.26283152695813 0.25000000000000 78.960 > 30 31 Se 0.87650541629584 0.61367388933771 0.25000000000000 78.960 > 31 32 Se 0.26283152695813 0.38632611066229 0.75000000000000 78.960 > 32 33 Se 0.61367388933771 0.87650541629584 0.75000000000000 78.960 > 33 34 Se 0.12349458370416 0.73716847304187 0.75000000000000 78.960 > 34 35 O 0.31213369914848 0.83404298125605 0.42849433827787 15.999 > 35 36 O 0.52190928210757 0.68786630085152 0.42849433827787 15.999 > 36 37 O 0.16595701874395 0.47809071789243 0.42849433827787 15.999 > 37 38 O 0.31213369914848 0.83404298125605 0.07150566172213 15.999 > 38 39 O 0.52190928210757 0.68786630085152 0.07150566172213 15.999 > 39 40 O 0.16595701874395 0.47809071789243 0.07150566172213 15.999 > 40 41 O 0.68786630085152 0.52190928210757 0.92849433827787 15.999 > 41 42 O 0.47809071789243 0.16595701874395 0.92849433827787 15.999 > 42 43 O 0.83404298125605 0.31213369914848 0.92849433827787 15.999 > 43 44 O 0.68786630085152 0.52190928210757 0.57150566172213 15.999 > 44 45 O 0.47809071789243 0.16595701874395 0.57150566172213 15.999 > 45 46 O 0.83404298125605 0.31213369914848 0.57150566172213 15.999 > 46 47 O 0.87041286669488 0.48100790482987 0.12702079967672 15.999 > 47 48 O 0.61059503813500 0.12958713330512 0.12702079967672 15.999 > 48 49 O 0.51899209517013 0.38940496186500 0.12702079967672 15.999 > 49 50 O 0.87041286669488 0.48100790482987 0.37297920032328 15.999 > 50 51 O 0.61059503813500 0.12958713330512 0.37297920032328 15.999 > 51 52 O 0.51899209517013 0.38940496186500 0.37297920032328 15.999 > 52 53 O 0.12958713330512 0.61059503813500 0.62702079967672 15.999 > 53 54 O 0.38940496186500 0.51899209517013 0.62702079967672 15.999 > 54 55 O 0.48100790482987 0.87041286669488 0.62702079967672 15.999 > 55 56 O 0.12958713330512 0.61059503813500 0.87297920032328 15.999 > 56 57 O 0.38940496186500 0.51899209517013 0.87297920032328 15.999 > 57 58 O 0.48100790482987 0.87041286669488 0.87297920032328 15.999 > 58 59 O 0.67210496052163 0.90524099915835 0.25000000000000 15.999 > 59 60 O 0.23313603863672 0.32789503947837 0.25000000000000 15.999 > 60 61 O 0.09475900084165 0.76686396136328 0.25000000000000 15.999 > 61 62 O 0.32789503947837 0.23313603863672 0.75000000000000 15.999 > 62 63 O 0.76686396136328 0.09475900084165 0.75000000000000 15.999 > 63 64 O 0.90524099915835 0.67210496052163 0.75000000000000 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5485955 -0.0000000 0.0000000 0.0000000 2.5485955 0.0000000 0.0000000 0.0000000 2.6177325 -------------------------- Born effective charges -------------------------- 1 Al 2.7281113 -0.0329558 0.0000000 0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 2 Al 2.7281113 -0.0329558 0.0000000 0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 3 Al 2.7281113 0.0329558 0.0000000 -0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 4 Al 2.7281113 0.0329558 0.0000000 -0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 5 H 0.2768548 -0.1078468 0.1064636 0.1437935 1.2049122 -0.9843085 -0.0968571 -0.7220993 0.9353672 6 H 0.9573324 -0.5366675 -0.9056680 -0.2850271 0.5244345 0.3999541 -0.5769278 0.4449303 0.9353672 7 H 0.9884632 0.2670537 0.7992044 0.5186941 0.4933038 0.5843544 0.6737849 0.2771690 0.9353672 8 H 0.2768548 -0.1078468 -0.1064636 0.1437935 1.2049122 0.9843085 0.0968571 0.7220993 0.9353672 9 H 0.9573324 -0.5366675 0.9056680 -0.2850271 0.5244345 -0.3999541 0.5769278 -0.4449303 0.9353672 10 H 0.9884632 0.2670537 -0.7992044 0.5186941 0.4933038 -0.5843544 -0.6737849 -0.2771690 0.9353672 11 H 0.9884632 -0.2670537 0.7992044 -0.5186941 0.4933038 -0.5843544 0.6737849 -0.2771690 0.9353672 12 H 0.2768548 0.1078468 0.1064636 -0.1437935 1.2049122 0.9843085 -0.0968571 0.7220993 0.9353672 13 H 0.9573324 0.5366675 -0.9056680 0.2850271 0.5244345 -0.3999541 -0.5769278 -0.4449303 0.9353672 14 H 0.9884632 -0.2670537 -0.7992044 -0.5186941 0.4933038 0.5843544 -0.6737849 0.2771690 0.9353672 15 H 0.2768548 0.1078468 -0.1064636 -0.1437935 1.2049122 -0.9843085 0.0968571 -0.7220993 0.9353672 16 H 0.9573324 0.5366675 0.9056680 0.2850271 0.5244345 0.3999541 0.5769278 0.4449303 0.9353672 17 H 0.6282399 -0.5169889 -0.1007436 -0.5070661 1.1169962 0.2210503 -0.2417377 0.4977693 0.4550108 18 H 1.4382360 0.0394146 0.2418070 0.0493375 0.3070002 -0.0232786 0.5519497 -0.0395337 0.4550108 19 H 0.5513783 0.4626900 -0.1410634 0.4726129 1.1938578 -0.1977717 -0.3102120 -0.4582356 0.4550108 20 H 0.6282399 -0.5169889 0.1007436 -0.5070661 1.1169962 -0.2210503 0.2417377 -0.4977693 0.4550108 21 H 1.4382360 0.0394146 -0.2418070 0.0493375 0.3070002 0.0232786 -0.5519497 0.0395337 0.4550108 22 H 0.5513783 0.4626900 0.1410634 0.4726129 1.1938578 0.1977717 0.3102120 0.4582356 0.4550108 23 H 0.5513783 -0.4626900 -0.1410634 -0.4726129 1.1938578 0.1977717 -0.3102120 0.4582356 0.4550108 24 H 0.6282399 0.5169889 -0.1007436 0.5070661 1.1169962 -0.2210503 -0.2417377 -0.4977693 0.4550108 25 H 1.4382360 -0.0394146 0.2418070 -0.0493375 0.3070002 0.0232786 0.5519497 0.0395337 0.4550108 26 H 0.5513783 -0.4626900 0.1410634 -0.4726129 1.1938578 -0.1977717 0.3102120 -0.4582356 0.4550108 27 H 0.6282399 0.5169889 0.1007436 0.5070661 1.1169962 0.2210503 0.2417377 0.4977693 0.4550108 28 H 1.4382360 -0.0394146 -0.2418070 -0.0493375 0.3070002 -0.0232786 -0.5519497 -0.0395337 0.4550108 29 Se 1.9484772 -0.5184466 0.0000000 -0.7916128 2.8229701 0.0000000 0.0000000 -0.0000000 2.3913523 30 Se 3.1716193 0.0854314 0.0000000 -0.1877348 1.5998281 0.0000000 0.0000000 -0.0000000 2.3913523 31 Se 2.0370746 0.8427645 0.0000000 0.5695983 2.7343728 0.0000000 0.0000000 -0.0000000 2.3913523 32 Se 2.0370746 -0.8427645 0.0000000 -0.5695983 2.7343728 0.0000000 0.0000000 -0.0000000 2.3913523 33 Se 1.9484772 0.5184466 0.0000000 0.7916128 2.8229701 0.0000000 0.0000000 -0.0000000 2.3913523 34 Se 3.1716193 -0.0854314 0.0000000 0.1877348 1.5998281 0.0000000 0.0000000 -0.0000000 2.3913523 35 O -1.2955285 -0.3390249 -0.4531085 -0.4831850 -1.4737270 -0.1096597 -0.3648069 0.2631334 -1.4313122 36 O -1.0731501 0.3547947 0.1315862 0.2106346 -1.6961055 0.4472333 0.4102836 0.1843654 -1.4313122 37 O -1.7852047 0.2004703 0.3215223 0.0563102 -0.9840508 -0.3375736 -0.0454767 -0.4474987 -1.4313122 38 O -1.2955285 -0.3390249 0.4531085 -0.4831850 -1.4737270 0.1096597 0.3648069 -0.2631334 -1.4313122 39 O -1.0731501 0.3547947 -0.1315862 0.2106346 -1.6961055 -0.4472333 -0.4102836 -0.1843654 -1.4313122 40 O -1.7852047 0.2004703 -0.3215223 0.0563102 -0.9840508 0.3375736 0.0454767 0.4474987 -1.4313122 41 O -1.7852047 -0.2004703 0.3215223 -0.0563102 -0.9840508 0.3375736 -0.0454767 0.4474987 -1.4313122 42 O -1.2955285 0.3390249 -0.4531085 0.4831850 -1.4737270 0.1096597 -0.3648069 -0.2631334 -1.4313122 43 O -1.0731501 -0.3547947 0.1315862 -0.2106346 -1.6961055 -0.4472333 0.4102836 -0.1843654 -1.4313122 44 O -1.7852047 -0.2004703 -0.3215223 -0.0563102 -0.9840508 -0.3375736 0.0454767 -0.4474987 -1.4313122 45 O -1.2955285 0.3390249 0.4531085 0.4831850 -1.4737270 -0.1096597 0.3648069 0.2631334 -1.4313122 46 O -1.0731501 -0.3547947 -0.1315862 -0.2106346 -1.6961055 0.4472333 -0.4102836 0.1843654 -1.4313122 47 O -1.4370192 -0.3144560 -0.0781482 0.0311916 -1.5051799 -0.5998937 0.4041906 -0.7569505 -1.8104899 48 O -1.3654826 -0.0724933 -0.4804491 0.2731544 -1.5767165 0.3676251 -0.8576337 0.0284359 -1.8104899 49 O -1.6107968 -0.1315221 0.5585972 0.2141255 -1.3314023 0.2322685 0.4534431 0.7285146 -1.8104899 50 O -1.4370192 -0.3144560 0.0781482 0.0311916 -1.5051799 0.5998937 -0.4041906 0.7569505 -1.8104899 51 O -1.3654826 -0.0724933 0.4804491 0.2731544 -1.5767165 -0.3676251 0.8576337 -0.0284359 -1.8104899 52 O -1.6107968 -0.1315221 -0.5585972 0.2141255 -1.3314023 -0.2322685 -0.4534431 -0.7285146 -1.8104899 53 O -1.6107968 0.1315221 0.5585972 -0.2141255 -1.3314023 -0.2322685 0.4534431 -0.7285146 -1.8104899 54 O -1.4370192 0.3144560 -0.0781482 -0.0311916 -1.5051799 0.5998937 0.4041906 0.7569505 -1.8104899 55 O -1.3654826 0.0724933 -0.4804491 -0.2731544 -1.5767165 -0.3676251 -0.8576337 -0.0284359 -1.8104899 56 O -1.6107968 0.1315221 -0.5585972 -0.2141255 -1.3314023 0.2322685 -0.4534431 0.7285146 -1.8104899 57 O -1.4370192 0.3144560 0.0781482 -0.0311916 -1.5051799 -0.5998937 -0.4041906 -0.7569505 -1.8104899 58 O -1.3654826 0.0724933 0.4804491 -0.2731544 -1.5767165 0.3676251 0.8576337 0.0284359 -1.8104899 59 O -0.7295746 0.7611514 0.0000000 0.0134796 -2.7104515 0.0000000 0.0000000 -0.0000000 -1.1433477 60 O -2.5506574 1.0379230 0.0000000 0.2902512 -0.8893687 0.0000000 0.0000000 -0.0000000 -1.1433477 61 O -1.8798072 -0.6775667 0.0000000 -1.4252385 -1.5602189 0.0000000 0.0000000 -0.0000000 -1.1433477 62 O -1.8798072 0.6775667 0.0000000 1.4252385 -1.5602189 0.0000000 0.0000000 -0.0000000 -1.1433477 63 O -0.7295746 -0.7611514 0.0000000 -0.0134796 -2.7104515 0.0000000 0.0000000 -0.0000000 -1.1433477 64 O -2.5506574 -1.0379230 0.0000000 -0.2902512 -0.8893687 0.0000000 0.0000000 -0.0000000 -1.1433477 ---------------------------------------------------------------------------- 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 0.0000 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:12:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:13:00]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-62c (190) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.703637719629137 0.000000000000000 0.000000000000000 b -4.351818859814569 7.537571370535294 0.000000000000000 c 0.000000000000000 0.000000000000000 10.804043210000000 Atomic positions (fractional): 1 Al 0.66666666666667 0.33333333333333 0.02809383896152 26.982 2 Al 0.66666666666667 0.33333333333333 0.47190616103848 26.982 3 Al 0.33333333333333 0.66666666666667 0.52809383896152 26.982 4 Al 0.33333333333333 0.66666666666667 0.97190616103848 26.982 5 H 0.58079892140803 0.78138416626287 0.36061235169003 1.008 6 H 0.20058524485484 0.41920107859197 0.36061235169003 1.008 7 H 0.21861583373713 0.79941475514516 0.36061235169003 1.008 8 H 0.58079892140803 0.78138416626287 0.13938764830997 1.008 9 H 0.20058524485484 0.41920107859197 0.13938764830997 1.008 10 H 0.21861583373713 0.79941475514516 0.13938764830997 1.008 11 H 0.41920107859197 0.20058524485484 0.86061235169003 1.008 12 H 0.79941475514516 0.21861583373713 0.86061235169003 1.008 13 H 0.78138416626287 0.58079892140803 0.86061235169003 1.008 14 H 0.41920107859197 0.20058524485484 0.63938764830997 1.008 15 H 0.79941475514516 0.21861583373713 0.63938764830997 1.008 16 H 0.78138416626287 0.58079892140803 0.63938764830997 1.008 17 H 0.52404533031882 0.57685985088284 0.40420706187262 1.008 18 H 0.05281452056401 0.47595466968118 0.40420706187262 1.008 19 H 0.42314014911716 0.94718547943599 0.40420706187262 1.008 20 H 0.52404533031882 0.57685985088284 0.09579293812738 1.008 21 H 0.05281452056401 0.47595466968118 0.09579293812738 1.008 22 H 0.42314014911716 0.94718547943599 0.09579293812738 1.008 23 H 0.47595466968118 0.05281452056401 0.90420706187262 1.008 24 H 0.94718547943599 0.42314014911716 0.90420706187262 1.008 25 H 0.57685985088284 0.52404533031882 0.90420706187262 1.008 26 H 0.47595466968118 0.05281452056401 0.59579293812738 1.008 27 H 0.94718547943599 0.42314014911716 0.59579293812738 1.008 28 H 0.57685985088284 0.52404533031882 0.59579293812738 1.008 29 Se 0.73716847304187 0.12349458370416 0.25000000000000 78.960 30 Se 0.38632611066229 0.26283152695813 0.25000000000000 78.960 31 Se 0.87650541629584 0.61367388933771 0.25000000000000 78.960 32 Se 0.26283152695813 0.38632611066229 0.75000000000000 78.960 33 Se 0.61367388933771 0.87650541629584 0.75000000000000 78.960 34 Se 0.12349458370416 0.73716847304187 0.75000000000000 78.960 35 O 0.31213369914848 0.83404298125605 0.42849433827787 15.999 36 O 0.52190928210757 0.68786630085152 0.42849433827787 15.999 37 O 0.16595701874395 0.47809071789243 0.42849433827787 15.999 38 O 0.31213369914848 0.83404298125605 0.07150566172213 15.999 39 O 0.52190928210757 0.68786630085152 0.07150566172213 15.999 40 O 0.16595701874395 0.47809071789243 0.07150566172213 15.999 41 O 0.68786630085152 0.52190928210757 0.92849433827787 15.999 42 O 0.47809071789243 0.16595701874395 0.92849433827787 15.999 43 O 0.83404298125605 0.31213369914848 0.92849433827787 15.999 44 O 0.68786630085152 0.52190928210757 0.57150566172213 15.999 45 O 0.47809071789243 0.16595701874395 0.57150566172213 15.999 46 O 0.83404298125605 0.31213369914848 0.57150566172213 15.999 47 O 0.87041286669488 0.48100790482987 0.12702079967672 15.999 48 O 0.61059503813500 0.12958713330512 0.12702079967672 15.999 49 O 0.51899209517013 0.38940496186500 0.12702079967672 15.999 50 O 0.87041286669488 0.48100790482987 0.37297920032328 15.999 51 O 0.61059503813500 0.12958713330512 0.37297920032328 15.999 52 O 0.51899209517013 0.38940496186500 0.37297920032328 15.999 53 O 0.12958713330512 0.61059503813500 0.62702079967672 15.999 54 O 0.38940496186500 0.51899209517013 0.62702079967672 15.999 55 O 0.48100790482987 0.87041286669488 0.62702079967672 15.999 56 O 0.12958713330512 0.61059503813500 0.87297920032328 15.999 57 O 0.38940496186500 0.51899209517013 0.87297920032328 15.999 58 O 0.48100790482987 0.87041286669488 0.87297920032328 15.999 59 O 0.67210496052163 0.90524099915835 0.25000000000000 15.999 60 O 0.23313603863672 0.32789503947837 0.25000000000000 15.999 61 O 0.09475900084165 0.76686396136328 0.25000000000000 15.999 62 O 0.32789503947837 0.23313603863672 0.75000000000000 15.999 63 O 0.76686396136328 0.09475900084165 0.75000000000000 15.999 64 O 0.90524099915835 0.67210496052163 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.703637719629137 0.000000000000000 0.000000000000000 b -4.351818859814569 7.537571370535294 0.000000000000000 c 0.000000000000000 0.000000000000000 10.804043210000000 Atomic positions (fractional): 1 Al 0.66666666666667 0.33333333333333 0.02809383896152 26.982 > 1 2 Al 0.66666666666667 0.33333333333333 0.47190616103848 26.982 > 2 3 Al 0.33333333333333 0.66666666666667 0.52809383896152 26.982 > 3 4 Al 0.33333333333333 0.66666666666667 0.97190616103848 26.982 > 4 5 H 0.58079892140803 0.78138416626287 0.36061235169003 1.008 > 5 6 H 0.20058524485484 0.41920107859197 0.36061235169003 1.008 > 6 7 H 0.21861583373713 0.79941475514516 0.36061235169003 1.008 > 7 8 H 0.58079892140803 0.78138416626287 0.13938764830997 1.008 > 8 9 H 0.20058524485484 0.41920107859197 0.13938764830997 1.008 > 9 10 H 0.21861583373713 0.79941475514516 0.13938764830997 1.008 > 10 11 H 0.41920107859197 0.20058524485484 0.86061235169003 1.008 > 11 12 H 0.79941475514516 0.21861583373713 0.86061235169003 1.008 > 12 13 H 0.78138416626287 0.58079892140803 0.86061235169003 1.008 > 13 14 H 0.41920107859197 0.20058524485484 0.63938764830997 1.008 > 14 15 H 0.79941475514516 0.21861583373713 0.63938764830997 1.008 > 15 16 H 0.78138416626287 0.58079892140803 0.63938764830997 1.008 > 16 17 H 0.52404533031882 0.57685985088284 0.40420706187262 1.008 > 17 18 H 0.05281452056401 0.47595466968118 0.40420706187262 1.008 > 18 19 H 0.42314014911716 0.94718547943599 0.40420706187262 1.008 > 19 20 H 0.52404533031882 0.57685985088284 0.09579293812738 1.008 > 20 21 H 0.05281452056401 0.47595466968118 0.09579293812738 1.008 > 21 22 H 0.42314014911716 0.94718547943599 0.09579293812738 1.008 > 22 23 H 0.47595466968118 0.05281452056401 0.90420706187262 1.008 > 23 24 H 0.94718547943599 0.42314014911716 0.90420706187262 1.008 > 24 25 H 0.57685985088284 0.52404533031882 0.90420706187262 1.008 > 25 26 H 0.47595466968118 0.05281452056401 0.59579293812738 1.008 > 26 27 H 0.94718547943599 0.42314014911716 0.59579293812738 1.008 > 27 28 H 0.57685985088284 0.52404533031882 0.59579293812738 1.008 > 28 29 Se 0.73716847304187 0.12349458370416 0.25000000000000 78.960 > 29 30 Se 0.38632611066229 0.26283152695813 0.25000000000000 78.960 > 30 31 Se 0.87650541629584 0.61367388933771 0.25000000000000 78.960 > 31 32 Se 0.26283152695813 0.38632611066229 0.75000000000000 78.960 > 32 33 Se 0.61367388933771 0.87650541629584 0.75000000000000 78.960 > 33 34 Se 0.12349458370416 0.73716847304187 0.75000000000000 78.960 > 34 35 O 0.31213369914848 0.83404298125605 0.42849433827787 15.999 > 35 36 O 0.52190928210757 0.68786630085152 0.42849433827787 15.999 > 36 37 O 0.16595701874395 0.47809071789243 0.42849433827787 15.999 > 37 38 O 0.31213369914848 0.83404298125605 0.07150566172213 15.999 > 38 39 O 0.52190928210757 0.68786630085152 0.07150566172213 15.999 > 39 40 O 0.16595701874395 0.47809071789243 0.07150566172213 15.999 > 40 41 O 0.68786630085152 0.52190928210757 0.92849433827787 15.999 > 41 42 O 0.47809071789243 0.16595701874395 0.92849433827787 15.999 > 42 43 O 0.83404298125605 0.31213369914848 0.92849433827787 15.999 > 43 44 O 0.68786630085152 0.52190928210757 0.57150566172213 15.999 > 44 45 O 0.47809071789243 0.16595701874395 0.57150566172213 15.999 > 45 46 O 0.83404298125605 0.31213369914848 0.57150566172213 15.999 > 46 47 O 0.87041286669488 0.48100790482987 0.12702079967672 15.999 > 47 48 O 0.61059503813500 0.12958713330512 0.12702079967672 15.999 > 48 49 O 0.51899209517013 0.38940496186500 0.12702079967672 15.999 > 49 50 O 0.87041286669488 0.48100790482987 0.37297920032328 15.999 > 50 51 O 0.61059503813500 0.12958713330512 0.37297920032328 15.999 > 51 52 O 0.51899209517013 0.38940496186500 0.37297920032328 15.999 > 52 53 O 0.12958713330512 0.61059503813500 0.62702079967672 15.999 > 53 54 O 0.38940496186500 0.51899209517013 0.62702079967672 15.999 > 54 55 O 0.48100790482987 0.87041286669488 0.62702079967672 15.999 > 55 56 O 0.12958713330512 0.61059503813500 0.87297920032328 15.999 > 56 57 O 0.38940496186500 0.51899209517013 0.87297920032328 15.999 > 57 58 O 0.48100790482987 0.87041286669488 0.87297920032328 15.999 > 58 59 O 0.67210496052163 0.90524099915835 0.25000000000000 15.999 > 59 60 O 0.23313603863672 0.32789503947837 0.25000000000000 15.999 > 60 61 O 0.09475900084165 0.76686396136328 0.25000000000000 15.999 > 61 62 O 0.32789503947837 0.23313603863672 0.75000000000000 15.999 > 62 63 O 0.76686396136328 0.09475900084165 0.75000000000000 15.999 > 63 64 O 0.90524099915835 0.67210496052163 0.75000000000000 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5485955 -0.0000000 0.0000000 0.0000000 2.5485955 0.0000000 0.0000000 0.0000000 2.6177325 -------------------------- Born effective charges -------------------------- 1 Al 2.7281113 -0.0329558 0.0000000 0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 2 Al 2.7281113 -0.0329558 0.0000000 0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 3 Al 2.7281113 0.0329558 0.0000000 -0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 4 Al 2.7281113 0.0329558 0.0000000 -0.0329558 2.7281113 0.0000000 0.0000000 -0.0000000 3.6822651 5 H 0.2768548 -0.1078468 0.1064636 0.1437935 1.2049122 -0.9843085 -0.0968571 -0.7220993 0.9353672 6 H 0.9573324 -0.5366675 -0.9056680 -0.2850271 0.5244345 0.3999541 -0.5769278 0.4449303 0.9353672 7 H 0.9884632 0.2670537 0.7992044 0.5186941 0.4933038 0.5843544 0.6737849 0.2771690 0.9353672 8 H 0.2768548 -0.1078468 -0.1064636 0.1437935 1.2049122 0.9843085 0.0968571 0.7220993 0.9353672 9 H 0.9573324 -0.5366675 0.9056680 -0.2850271 0.5244345 -0.3999541 0.5769278 -0.4449303 0.9353672 10 H 0.9884632 0.2670537 -0.7992044 0.5186941 0.4933038 -0.5843544 -0.6737849 -0.2771690 0.9353672 11 H 0.9884632 -0.2670537 0.7992044 -0.5186941 0.4933038 -0.5843544 0.6737849 -0.2771690 0.9353672 12 H 0.2768548 0.1078468 0.1064636 -0.1437935 1.2049122 0.9843085 -0.0968571 0.7220993 0.9353672 13 H 0.9573324 0.5366675 -0.9056680 0.2850271 0.5244345 -0.3999541 -0.5769278 -0.4449303 0.9353672 14 H 0.9884632 -0.2670537 -0.7992044 -0.5186941 0.4933038 0.5843544 -0.6737849 0.2771690 0.9353672 15 H 0.2768548 0.1078468 -0.1064636 -0.1437935 1.2049122 -0.9843085 0.0968571 -0.7220993 0.9353672 16 H 0.9573324 0.5366675 0.9056680 0.2850271 0.5244345 0.3999541 0.5769278 0.4449303 0.9353672 17 H 0.6282399 -0.5169889 -0.1007436 -0.5070661 1.1169962 0.2210503 -0.2417377 0.4977693 0.4550108 18 H 1.4382360 0.0394146 0.2418070 0.0493375 0.3070002 -0.0232786 0.5519497 -0.0395337 0.4550108 19 H 0.5513783 0.4626900 -0.1410634 0.4726129 1.1938578 -0.1977717 -0.3102120 -0.4582356 0.4550108 20 H 0.6282399 -0.5169889 0.1007436 -0.5070661 1.1169962 -0.2210503 0.2417377 -0.4977693 0.4550108 21 H 1.4382360 0.0394146 -0.2418070 0.0493375 0.3070002 0.0232786 -0.5519497 0.0395337 0.4550108 22 H 0.5513783 0.4626900 0.1410634 0.4726129 1.1938578 0.1977717 0.3102120 0.4582356 0.4550108 23 H 0.5513783 -0.4626900 -0.1410634 -0.4726129 1.1938578 0.1977717 -0.3102120 0.4582356 0.4550108 24 H 0.6282399 0.5169889 -0.1007436 0.5070661 1.1169962 -0.2210503 -0.2417377 -0.4977693 0.4550108 25 H 1.4382360 -0.0394146 0.2418070 -0.0493375 0.3070002 0.0232786 0.5519497 0.0395337 0.4550108 26 H 0.5513783 -0.4626900 0.1410634 -0.4726129 1.1938578 -0.1977717 0.3102120 -0.4582356 0.4550108 27 H 0.6282399 0.5169889 0.1007436 0.5070661 1.1169962 0.2210503 0.2417377 0.4977693 0.4550108 28 H 1.4382360 -0.0394146 -0.2418070 -0.0493375 0.3070002 -0.0232786 -0.5519497 -0.0395337 0.4550108 29 Se 1.9484772 -0.5184466 0.0000000 -0.7916128 2.8229701 0.0000000 0.0000000 -0.0000000 2.3913523 30 Se 3.1716193 0.0854314 0.0000000 -0.1877348 1.5998281 0.0000000 0.0000000 -0.0000000 2.3913523 31 Se 2.0370746 0.8427645 0.0000000 0.5695983 2.7343728 0.0000000 0.0000000 -0.0000000 2.3913523 32 Se 2.0370746 -0.8427645 0.0000000 -0.5695983 2.7343728 0.0000000 0.0000000 -0.0000000 2.3913523 33 Se 1.9484772 0.5184466 0.0000000 0.7916128 2.8229701 0.0000000 0.0000000 -0.0000000 2.3913523 34 Se 3.1716193 -0.0854314 0.0000000 0.1877348 1.5998281 0.0000000 0.0000000 -0.0000000 2.3913523 35 O -1.2955285 -0.3390249 -0.4531085 -0.4831850 -1.4737270 -0.1096597 -0.3648069 0.2631334 -1.4313122 36 O -1.0731501 0.3547947 0.1315862 0.2106346 -1.6961055 0.4472333 0.4102836 0.1843654 -1.4313122 37 O -1.7852047 0.2004703 0.3215223 0.0563102 -0.9840508 -0.3375736 -0.0454767 -0.4474987 -1.4313122 38 O -1.2955285 -0.3390249 0.4531085 -0.4831850 -1.4737270 0.1096597 0.3648069 -0.2631334 -1.4313122 39 O -1.0731501 0.3547947 -0.1315862 0.2106346 -1.6961055 -0.4472333 -0.4102836 -0.1843654 -1.4313122 40 O -1.7852047 0.2004703 -0.3215223 0.0563102 -0.9840508 0.3375736 0.0454767 0.4474987 -1.4313122 41 O -1.7852047 -0.2004703 0.3215223 -0.0563102 -0.9840508 0.3375736 -0.0454767 0.4474987 -1.4313122 42 O -1.2955285 0.3390249 -0.4531085 0.4831850 -1.4737270 0.1096597 -0.3648069 -0.2631334 -1.4313122 43 O -1.0731501 -0.3547947 0.1315862 -0.2106346 -1.6961055 -0.4472333 0.4102836 -0.1843654 -1.4313122 44 O -1.7852047 -0.2004703 -0.3215223 -0.0563102 -0.9840508 -0.3375736 0.0454767 -0.4474987 -1.4313122 45 O -1.2955285 0.3390249 0.4531085 0.4831850 -1.4737270 -0.1096597 0.3648069 0.2631334 -1.4313122 46 O -1.0731501 -0.3547947 -0.1315862 -0.2106346 -1.6961055 0.4472333 -0.4102836 0.1843654 -1.4313122 47 O -1.4370192 -0.3144560 -0.0781482 0.0311916 -1.5051799 -0.5998937 0.4041906 -0.7569505 -1.8104899 48 O -1.3654826 -0.0724933 -0.4804491 0.2731544 -1.5767165 0.3676251 -0.8576337 0.0284359 -1.8104899 49 O -1.6107968 -0.1315221 0.5585972 0.2141255 -1.3314023 0.2322685 0.4534431 0.7285146 -1.8104899 50 O -1.4370192 -0.3144560 0.0781482 0.0311916 -1.5051799 0.5998937 -0.4041906 0.7569505 -1.8104899 51 O -1.3654826 -0.0724933 0.4804491 0.2731544 -1.5767165 -0.3676251 0.8576337 -0.0284359 -1.8104899 52 O -1.6107968 -0.1315221 -0.5585972 0.2141255 -1.3314023 -0.2322685 -0.4534431 -0.7285146 -1.8104899 53 O -1.6107968 0.1315221 0.5585972 -0.2141255 -1.3314023 -0.2322685 0.4534431 -0.7285146 -1.8104899 54 O -1.4370192 0.3144560 -0.0781482 -0.0311916 -1.5051799 0.5998937 0.4041906 0.7569505 -1.8104899 55 O -1.3654826 0.0724933 -0.4804491 -0.2731544 -1.5767165 -0.3676251 -0.8576337 -0.0284359 -1.8104899 56 O -1.6107968 0.1315221 -0.5585972 -0.2141255 -1.3314023 0.2322685 -0.4534431 0.7285146 -1.8104899 57 O -1.4370192 0.3144560 0.0781482 -0.0311916 -1.5051799 -0.5998937 -0.4041906 -0.7569505 -1.8104899 58 O -1.3654826 0.0724933 0.4804491 -0.2731544 -1.5767165 0.3676251 0.8576337 0.0284359 -1.8104899 59 O -0.7295746 0.7611514 0.0000000 0.0134796 -2.7104515 0.0000000 0.0000000 -0.0000000 -1.1433477 60 O -2.5506574 1.0379230 0.0000000 0.2902512 -0.8893687 0.0000000 0.0000000 -0.0000000 -1.1433477 61 O -1.8798072 -0.6775667 0.0000000 -1.4252385 -1.5602189 0.0000000 0.0000000 -0.0000000 -1.1433477 62 O -1.8798072 0.6775667 0.0000000 1.4252385 -1.5602189 0.0000000 0.0000000 -0.0000000 -1.1433477 63 O -0.7295746 -0.7611514 0.0000000 -0.0134796 -2.7104515 0.0000000 0.0000000 -0.0000000 -1.1433477 64 O -2.5506574 -1.0379230 0.0000000 -0.2902512 -0.8893687 0.0000000 0.0000000 -0.0000000 -1.1433477 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxx) -0.00000000 (xzx) -0.00000000 (xxz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/24) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.152 ( -0.000 0.000 0.000) 0.000 2.660 ( -0.000 0.000 0.000) 0.000 2.686 ( 0.000 -0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 3.350 ( -0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.452 ( -0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.539 ( -0.000 0.000 0.000) 0.000 3.612 ( 0.000 -0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.969 ( -0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.437 ( -0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.457 ( -0.000 0.000 0.000) 0.000 4.457 ( -0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 4.777 ( -0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 -0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 6.390 ( -0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.557 ( -0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.970 ( -0.000 0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.557 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.186 ( -0.000 0.000 0.000) 0.000 8.186 ( -0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.564 ( -0.000 0.000 0.000) 0.000 8.564 ( -0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.027 ( -0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.286 ( 0.000 0.000 0.000) 0.000 9.286 ( 0.000 0.000 0.000) 0.000 9.838 ( -0.000 0.000 0.000) 0.000 9.838 ( -0.000 0.000 0.000) 0.000 9.865 ( 0.000 0.000 0.000) 0.000 10.151 ( 0.000 0.000 0.000) 0.000 10.170 ( -0.000 0.000 0.000) 0.000 10.170 ( -0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.349 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 0.000 0.000) 0.000 10.517 ( -0.000 0.000 0.000) 0.000 10.517 ( -0.000 0.000 0.000) 0.000 10.564 ( 0.000 -0.000 0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 10.804 ( -0.000 0.000 0.000) 0.000 11.219 ( 0.000 -0.000 0.000) 0.000 11.330 ( 0.000 0.000 0.000) 0.000 11.643 ( 0.000 0.000 0.000) 0.000 11.643 ( -0.000 0.000 0.000) 0.000 12.081 ( 0.000 0.000 0.000) 0.000 12.829 ( -0.000 0.000 0.000) 0.000 12.829 ( 0.000 0.000 0.000) 0.000 13.776 ( 0.000 0.000 0.000) 0.000 13.904 ( 0.000 0.000 0.000) 0.000 13.904 ( 0.000 0.000 0.000) 0.000 13.944 ( 0.000 0.000 0.000) 0.000 13.944 ( -0.000 0.000 0.000) 0.000 14.613 ( -0.000 0.000 0.000) 0.000 14.613 ( -0.000 0.000 0.000) 0.000 14.843 ( 0.000 -0.000 0.000) 0.000 15.329 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.875 ( 0.000 -0.000 0.000) 0.000 16.985 ( 0.000 -0.000 0.000) 0.000 17.108 ( 0.000 0.000 0.000) 0.000 17.437 ( 0.000 0.000 0.000) 0.000 17.437 ( 0.000 0.000 0.000) 0.000 17.538 ( -0.000 0.000 0.000) 0.000 17.538 ( -0.000 0.000 0.000) 0.000 17.716 ( 0.000 -0.000 0.000) 0.000 20.228 ( -0.000 0.000 0.000) 0.000 20.228 ( -0.000 0.000 0.000) 0.000 20.495 ( 0.000 0.000 0.000) 0.000 20.495 ( -0.000 0.000 0.000) 0.000 21.283 ( 0.000 0.000 0.000) 0.000 21.283 ( 0.000 0.000 0.000) 0.000 21.337 ( -0.000 -0.000 0.000) 0.000 21.354 ( -0.000 0.000 0.000) 0.000 21.354 ( -0.000 0.000 0.000) 0.000 21.639 ( 0.000 -0.000 0.000) 0.000 21.834 ( 0.000 -0.000 0.000) 0.000 22.435 ( 0.000 0.000 0.000) 0.000 22.769 ( -0.000 0.000 0.000) 0.000 22.769 ( -0.000 0.000 0.000) 0.000 23.238 ( -0.000 -0.000 0.000) 0.000 23.544 ( 0.000 0.000 0.000) 0.000 23.544 ( 0.000 0.000 0.000) 0.000 23.903 ( 0.000 0.000 0.000) 0.000 23.903 ( -0.000 0.000 0.000) 0.000 24.032 ( 0.000 0.000 0.000) 0.000 24.219 ( -0.000 0.000 0.000) 0.000 24.219 ( 0.000 0.000 0.000) 0.000 24.457 ( -0.000 0.000 0.000) 0.000 24.457 ( 0.000 0.000 0.000) 0.000 24.459 ( 0.000 0.000 0.000) 0.000 24.814 ( 0.000 0.000 0.000) 0.000 24.830 ( 0.000 0.000 0.000) 0.000 24.830 ( 0.000 0.000 0.000) 0.000 24.954 ( 0.000 0.000 0.000) 0.000 25.200 ( 0.000 0.000 0.000) 0.000 25.908 ( 0.000 0.000 0.000) 0.000 25.908 ( -0.000 0.000 0.000) 0.000 26.175 ( -0.000 0.000 0.000) 0.000 26.175 ( 0.000 0.000 0.000) 0.000 26.840 ( 0.000 0.000 0.000) 0.000 26.889 ( 0.000 0.000 0.000) 0.000 27.055 ( 0.000 0.000 0.000) 0.000 27.055 ( -0.000 0.000 0.000) 0.000 27.708 ( 0.000 0.000 0.000) 0.000 27.731 ( 0.000 0.000 0.000) 0.000 27.731 ( -0.000 0.000 0.000) 0.000 27.736 ( 0.000 -0.000 0.000) 0.000 27.910 ( 0.000 0.000 0.000) 0.000 28.581 ( 0.000 0.000 0.000) 0.000 28.631 ( 0.000 0.000 0.000) 0.000 29.077 ( 0.000 0.000 0.000) 0.000 29.660 ( -0.000 0.000 0.000) 0.000 29.660 ( 0.000 0.000 0.000) 0.000 29.924 ( 0.000 0.000 0.000) 0.000 29.924 ( 0.000 0.000 0.000) 0.000 30.164 ( -0.000 0.000 0.000) 0.000 30.164 ( 0.000 0.000 0.000) 0.000 30.464 ( 0.000 0.000 0.000) 0.000 30.464 ( -0.000 0.000 0.000) 0.000 48.035 ( -0.000 0.000 0.000) 0.000 48.035 ( 0.000 0.000 0.000) 0.000 48.415 ( 0.000 0.000 0.000) 0.000 48.745 ( -0.000 0.000 0.000) 0.000 48.745 ( -0.000 0.000 0.000) 0.000 48.905 ( 0.000 0.000 0.000) 0.000 48.905 ( 0.000 0.000 0.000) 0.000 49.315 ( 0.000 -0.000 0.000) 0.000 49.342 ( -0.000 0.000 0.000) 0.000 49.617 ( -0.000 0.000 0.000) 0.000 49.617 ( -0.000 0.000 0.000) 0.000 50.003 ( 0.000 -0.000 0.000) 0.000 81.804 ( 0.000 0.000 0.000) 0.000 81.804 ( 0.000 0.000 0.000) 0.000 82.215 ( -0.000 0.000 0.000) 0.000 82.215 ( 0.000 0.000 0.000) 0.000 82.411 ( 0.000 0.000 0.000) 0.000 83.539 ( 0.000 0.000 0.000) 0.000 85.026 ( 0.000 0.000 0.000) 0.000 85.026 ( -0.000 0.000 0.000) 0.000 85.057 ( 0.000 0.000 0.000) 0.000 85.321 ( 0.000 0.000 0.000) 0.000 85.896 ( -0.000 0.000 0.000) 0.000 85.896 ( 0.000 0.000 0.000) 0.000 90.004 ( -0.000 0.000 0.000) 0.000 90.004 ( -0.000 0.000 0.000) 0.000 90.301 ( -0.000 0.000 0.000) 0.000 90.301 ( -0.000 0.000 0.000) 0.000 90.663 ( 0.000 0.000 0.000) 0.000 90.663 ( 0.000 0.000 0.000) 0.000 91.126 ( -0.000 0.000 0.000) 0.000 91.285 ( -0.000 0.000 0.000) 0.000 91.285 ( -0.000 0.000 0.000) 0.000 91.416 ( 0.000 0.000 0.000) 0.000 91.667 ( 0.000 -0.000 0.000) 0.000 93.784 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/24) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 15.081 8.707 0.000) 17.414 0.532 ( 24.352 14.059 0.000) 28.119 0.624 ( 27.084 15.637 0.000) 31.274 2.221 ( 5.847 3.376 0.000) 6.752 2.270 ( 10.226 5.904 0.000) 11.808 2.425 ( -14.646 -8.456 0.000) 16.912 2.643 ( -1.330 -0.768 0.000) 1.535 2.803 ( 0.219 0.127 0.000) 0.253 2.820 ( 2.116 1.222 0.000) 2.443 2.862 ( -4.594 -2.653 0.000) 5.305 3.080 ( 5.297 3.058 0.000) 6.116 3.300 ( -5.491 -3.170 0.000) 6.341 3.331 ( -3.174 -1.832 0.000) 3.664 3.400 ( -4.703 -2.716 0.000) 5.431 3.510 ( -2.249 -1.299 0.000) 2.597 3.547 ( -0.242 -0.140 0.000) 0.279 3.606 ( 3.688 2.129 0.000) 4.259 3.790 ( -0.824 -0.476 0.000) 0.952 3.998 ( 1.802 1.040 0.000) 2.080 4.022 ( 2.219 1.281 0.000) 2.562 4.369 ( -5.825 -3.363 0.000) 6.727 4.382 ( -4.573 -2.641 0.000) 5.281 4.408 ( -2.823 -1.630 0.000) 3.259 4.463 ( -0.181 -0.105 0.000) 0.209 4.493 ( 2.689 1.553 0.000) 3.106 4.766 ( -0.950 -0.549 0.000) 1.097 4.826 ( 3.751 2.166 0.000) 4.331 4.852 ( 0.466 0.269 0.000) 0.538 4.895 ( 3.030 1.749 0.000) 3.499 5.156 ( -3.127 -1.805 0.000) 3.610 5.194 ( -0.946 -0.546 0.000) 1.092 5.264 ( 1.049 0.606 0.000) 1.211 5.489 ( 0.344 0.199 0.000) 0.397 5.818 ( -5.591 -3.228 0.000) 6.456 6.366 ( -3.001 -1.732 0.000) 3.465 6.387 ( -0.736 -0.425 0.000) 0.850 6.414 ( -0.637 -0.368 0.000) 0.736 6.525 ( -2.692 -1.554 0.000) 3.109 6.563 ( -0.179 -0.103 0.000) 0.207 6.769 ( -6.816 -3.935 0.000) 7.871 6.865 ( 0.047 0.027 0.000) 0.055 6.957 ( -1.270 -0.733 0.000) 1.466 7.079 ( -2.220 -1.282 0.000) 2.564 7.117 ( 7.919 4.572 0.000) 9.145 7.552 ( -0.047 -0.027 0.000) 0.054 7.630 ( 0.320 0.185 0.000) 0.370 8.016 ( 4.557 2.631 0.000) 5.262 8.041 ( 2.951 1.704 0.000) 3.408 8.261 ( 6.627 3.826 0.000) 7.652 8.294 ( 8.601 4.966 0.000) 9.931 8.496 ( 1.985 1.146 0.000) 2.292 8.517 ( -3.764 -2.173 0.000) 4.347 8.603 ( 3.485 2.012 0.000) 4.024 8.932 ( -7.031 -4.059 0.000) 8.118 9.037 ( 0.722 0.417 0.000) 0.833 9.180 ( 1.850 1.068 0.000) 2.136 9.295 ( 0.868 0.501 0.000) 1.003 9.716 ( -0.817 -0.472 0.000) 0.943 9.761 ( -6.033 -3.483 0.000) 6.966 9.829 ( -1.100 -0.635 0.000) 1.270 9.859 ( -0.417 -0.241 0.000) 0.481 10.120 ( -3.085 -1.781 0.000) 3.562 10.176 ( 0.178 0.103 0.000) 0.206 10.211 ( -5.218 -3.013 0.000) 6.026 10.246 ( -2.932 -1.693 0.000) 3.386 10.278 ( 0.817 0.472 0.000) 0.943 10.376 ( 1.997 1.153 0.000) 2.306 10.432 ( 4.636 2.677 0.000) 5.354 10.541 ( 0.610 0.352 0.000) 0.704 10.568 ( 0.222 0.128 0.000) 0.256 10.609 ( 7.809 4.508 0.000) 9.017 10.759 ( -3.758 -2.170 0.000) 4.339 10.799 ( -0.023 -0.013 0.000) 0.026 11.184 ( -2.822 -1.629 0.000) 3.258 11.346 ( 1.143 0.660 0.000) 1.320 11.622 ( -2.205 -1.273 0.000) 2.547 11.634 ( -1.211 -0.699 0.000) 1.399 12.038 ( -3.747 -2.163 0.000) 4.327 12.859 ( 2.822 1.629 0.000) 3.258 12.888 ( 5.001 2.888 0.000) 5.775 13.805 ( 0.572 0.330 0.000) 0.661 13.827 ( -6.242 -3.604 0.000) 7.208 13.947 ( 5.255 3.034 0.000) 6.068 13.966 ( 2.105 1.216 0.000) 2.431 14.112 ( -0.119 -0.069 0.000) 0.138 14.593 ( -2.299 -1.327 0.000) 2.654 14.648 ( -3.575 -2.064 0.000) 4.128 14.849 ( 0.201 0.116 0.000) 0.232 15.362 ( 2.753 1.589 0.000) 3.178 15.653 ( 1.239 0.715 0.000) 1.430 16.516 ( -1.424 -0.822 0.000) 1.645 16.518 ( 0.497 0.287 0.000) 0.574 16.530 ( -0.106 -0.061 0.000) 0.122 16.794 ( -5.511 -3.182 0.000) 6.363 16.844 ( -2.738 -1.581 0.000) 3.162 16.916 ( -5.362 -3.096 0.000) 6.192 17.223 ( 7.373 4.257 0.000) 8.514 17.446 ( 0.930 0.537 0.000) 1.074 17.467 ( 2.564 1.481 0.000) 2.961 17.603 ( 5.042 2.911 0.000) 5.822 17.724 ( 0.458 0.264 0.000) 0.528 17.930 ( -0.438 -0.253 0.000) 0.505 20.244 ( 1.438 0.830 0.000) 1.660 20.245 ( 1.497 0.864 0.000) 1.729 20.489 ( -0.647 -0.374 0.000) 0.747 20.490 ( -0.458 -0.264 0.000) 0.529 21.265 ( -1.443 -0.833 0.000) 1.666 21.350 ( -0.427 -0.247 0.000) 0.493 21.358 ( 1.874 1.082 0.000) 2.164 21.371 ( 1.432 0.827 0.000) 1.654 21.646 ( 0.684 0.395 0.000) 0.790 21.818 ( -1.337 -0.772 0.000) 1.544 21.859 ( -0.617 -0.356 0.000) 0.713 22.258 ( -11.799 -6.812 0.000) 13.624 22.764 ( -0.404 -0.233 0.000) 0.467 22.919 ( 9.243 5.336 0.000) 10.673 23.242 ( 0.373 0.216 0.000) 0.431 23.551 ( 0.514 0.297 0.000) 0.593 23.908 ( 0.561 0.324 0.000) 0.648 23.916 ( 1.083 0.626 0.000) 1.251 24.051 ( 1.840 1.063 0.000) 2.125 24.179 ( 1.831 1.057 0.000) 2.114 24.212 ( -0.540 -0.312 0.000) 0.624 24.253 ( 2.941 1.698 0.000) 3.396 24.457 ( -0.294 -0.170 0.000) 0.339 24.486 ( 2.472 1.427 0.000) 2.854 24.693 ( -1.113 -0.643 0.000) 1.285 24.794 ( -1.675 -0.967 0.000) 1.934 24.828 ( -0.392 -0.226 0.000) 0.452 24.936 ( -1.674 -0.966 0.000) 1.933 25.018 ( -0.055 -0.032 0.000) 0.063 25.164 ( -3.083 -1.780 0.000) 3.560 25.904 ( -0.270 -0.156 0.000) 0.312 25.917 ( 0.751 0.434 0.000) 0.868 26.167 ( -0.748 -0.432 0.000) 0.864 26.775 ( -3.894 -2.248 0.000) 4.497 26.831 ( -0.740 -0.427 0.000) 0.855 26.952 ( 3.894 2.248 0.000) 4.496 27.021 ( -2.790 -1.611 0.000) 3.221 27.058 ( 0.286 0.165 0.000) 0.331 27.670 ( -4.710 -2.719 0.000) 5.439 27.720 ( 0.965 0.557 0.000) 1.115 27.744 ( 0.291 0.168 0.000) 0.336 27.817 ( 0.220 0.127 0.000) 0.254 27.951 ( 3.533 2.040 0.000) 4.079 28.552 ( -2.517 -1.453 0.000) 2.907 28.662 ( 2.615 1.510 0.000) 3.020 29.053 ( -2.083 -1.203 0.000) 2.406 29.656 ( -0.312 -0.180 0.000) 0.360 29.684 ( 2.171 1.254 0.000) 2.507 29.925 ( 0.078 0.045 0.000) 0.090 29.981 ( 2.234 1.290 0.000) 2.579 30.145 ( -1.634 -0.944 0.000) 1.887 30.170 ( 0.488 0.281 0.000) 0.563 30.448 ( -1.414 -0.816 0.000) 1.633 30.556 ( 0.119 0.069 0.000) 0.138 48.031 ( -0.320 -0.184 0.000) 0.369 48.044 ( 0.838 0.484 0.000) 0.968 48.379 ( -2.863 -1.653 0.000) 3.305 48.747 ( 0.244 0.141 0.000) 0.281 48.791 ( 3.794 2.190 0.000) 4.381 48.906 ( 0.070 0.040 0.000) 0.080 48.958 ( 0.782 0.452 0.000) 0.903 49.284 ( -2.592 -1.497 0.000) 2.993 49.320 ( -1.900 -1.097 0.000) 2.194 49.635 ( 0.402 0.232 0.000) 0.464 49.648 ( 2.372 1.370 0.000) 2.739 49.990 ( -1.171 -0.676 0.000) 1.352 81.807 ( 0.265 0.153 0.000) 0.306 81.819 ( 1.409 0.813 0.000) 1.627 82.161 ( -3.714 -2.144 0.000) 4.288 82.209 ( -0.554 -0.320 0.000) 0.639 82.489 ( 5.907 3.410 0.000) 6.821 83.482 ( -5.020 -2.898 0.000) 5.796 84.991 ( -3.620 -2.090 0.000) 4.179 85.035 ( -0.597 -0.345 0.000) 0.689 85.351 ( 2.435 1.406 0.000) 2.812 85.433 ( 5.142 2.969 0.000) 5.938 85.916 ( 1.962 1.133 0.000) 2.266 86.644 ( -3.248 -1.875 0.000) 3.750 90.016 ( 1.040 0.600 0.000) 1.200 90.027 ( 1.896 1.095 0.000) 2.189 90.289 ( -1.101 -0.635 0.000) 1.271 90.291 ( -0.940 -0.543 0.000) 1.085 90.703 ( 3.602 2.080 0.000) 4.159 91.093 ( 1.442 0.833 0.000) 1.665 91.166 ( 3.457 1.996 0.000) 3.991 91.274 ( -1.024 -0.591 0.000) 1.183 91.401 ( -1.282 -0.740 0.000) 1.480 91.655 ( -1.103 -0.637 0.000) 1.274 93.474 ( -3.199 -1.847 0.000) 3.694 93.758 ( -2.021 -1.167 0.000) 2.334 ======================= Grid point 2 (3/24) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 3.054 1.763 0.000) 3.526 1.056 ( 22.953 13.252 0.000) 26.504 1.149 ( 20.012 11.554 0.000) 23.108 2.195 ( -4.898 -2.828 0.000) 5.655 2.372 ( 6.774 3.911 0.000) 7.822 2.560 ( 15.166 8.756 0.000) 17.513 2.611 ( -1.473 -0.850 0.000) 1.701 2.738 ( -6.043 -3.489 0.000) 6.978 2.767 ( -4.446 -2.567 0.000) 5.134 2.881 ( 3.254 1.879 0.000) 3.758 3.087 ( -7.479 -4.318 0.000) 8.636 3.165 ( -0.731 -0.422 0.000) 0.844 3.247 ( -3.774 -2.179 0.000) 4.358 3.282 ( -4.644 -2.681 0.000) 5.363 3.462 ( -2.037 -1.176 0.000) 2.353 3.484 ( -5.103 -2.946 0.000) 5.892 3.749 ( 6.374 3.680 0.000) 7.360 3.801 ( 0.884 0.510 0.000) 1.021 3.980 ( -2.563 -1.479 0.000) 2.959 4.098 ( 3.835 2.214 0.000) 4.429 4.185 ( -10.460 -6.039 0.000) 12.078 4.295 ( -2.019 -1.166 0.000) 2.331 4.323 ( -4.405 -2.543 0.000) 5.087 4.448 ( -1.053 -0.608 0.000) 1.216 4.596 ( 6.112 3.529 0.000) 7.057 4.737 ( -1.617 -0.933 0.000) 1.867 4.854 ( -0.418 -0.241 0.000) 0.483 4.915 ( 3.999 2.309 0.000) 4.618 4.985 ( 4.366 2.521 0.000) 5.042 5.085 ( -3.202 -1.849 0.000) 3.697 5.163 ( -1.898 -1.096 0.000) 2.192 5.282 ( 0.644 0.372 0.000) 0.744 5.490 ( -0.225 -0.130 0.000) 0.260 5.678 ( -6.442 -3.719 0.000) 7.438 6.266 ( -5.191 -2.997 0.000) 5.994 6.330 ( -3.877 -2.238 0.000) 4.476 6.412 ( 0.665 0.384 0.000) 0.768 6.484 ( -0.644 -0.372 0.000) 0.743 6.573 ( 0.527 0.304 0.000) 0.609 6.634 ( -5.416 -3.127 0.000) 6.254 6.892 ( 2.002 1.156 0.000) 2.311 6.917 ( -2.098 -1.211 0.000) 2.422 7.019 ( -2.790 -1.611 0.000) 3.221 7.286 ( 7.339 4.237 0.000) 8.474 7.566 ( 1.217 0.703 0.000) 1.406 7.636 ( 0.388 0.224 0.000) 0.448 8.078 ( 1.182 0.683 0.000) 1.365 8.157 ( 6.677 3.855 0.000) 7.710 8.322 ( -6.605 -3.813 0.000) 7.626 8.471 ( 9.869 5.698 0.000) 11.395 8.565 ( 4.015 2.318 0.000) 4.637 8.568 ( 8.976 5.182 0.000) 10.365 8.734 ( 9.737 5.622 0.000) 11.243 8.764 ( -7.875 -4.547 0.000) 9.093 9.056 ( 0.987 0.570 0.000) 1.139 9.185 ( -1.259 -0.727 0.000) 1.454 9.326 ( 1.735 1.002 0.000) 2.004 9.608 ( -7.824 -4.517 0.000) 9.034 9.705 ( -0.082 -0.048 0.000) 0.095 9.755 ( -6.838 -3.948 0.000) 7.895 9.846 ( -0.826 -0.477 0.000) 0.953 10.015 ( -5.691 -3.286 0.000) 6.572 10.095 ( -4.291 -2.477 0.000) 4.955 10.167 ( -3.721 -2.148 0.000) 4.296 10.172 ( -0.455 -0.263 0.000) 0.526 10.301 ( 1.234 0.712 0.000) 1.425 10.395 ( -0.605 -0.349 0.000) 0.699 10.508 ( 1.627 0.940 0.000) 1.879 10.579 ( 1.096 0.633 0.000) 1.266 10.607 ( 5.398 3.116 0.000) 6.233 10.667 ( -3.966 -2.290 0.000) 4.580 10.825 ( 2.478 1.431 0.000) 2.861 10.829 ( 11.445 6.608 0.000) 13.215 11.115 ( -3.172 -1.831 0.000) 3.662 11.348 ( -1.910 -1.103 0.000) 2.206 11.544 ( -4.824 -2.785 0.000) 5.570 11.625 ( 1.066 0.615 0.000) 1.230 11.933 ( -5.389 -3.112 0.000) 6.223 12.948 ( 4.928 2.845 0.000) 5.690 13.023 ( 6.899 3.983 0.000) 7.966 13.636 ( -9.956 -5.748 0.000) 11.497 13.796 ( -1.396 -0.806 0.000) 1.612 14.036 ( 4.259 2.459 0.000) 4.918 14.109 ( -0.188 -0.109 0.000) 0.217 14.132 ( 10.277 5.933 0.000) 11.867 14.479 ( -7.209 -4.162 0.000) 8.324 14.603 ( -0.867 -0.500 0.000) 1.001 14.831 ( -2.267 -1.309 0.000) 2.618 15.437 ( 3.806 2.198 0.000) 4.395 15.671 ( 0.150 0.087 0.000) 0.173 16.480 ( -1.484 -0.857 0.000) 1.714 16.530 ( 0.479 0.277 0.000) 0.553 16.535 ( 0.737 0.425 0.000) 0.851 16.702 ( -2.585 -1.492 0.000) 2.985 16.765 ( -4.173 -2.409 0.000) 4.818 16.790 ( -5.489 -3.169 0.000) 6.338 17.368 ( 5.339 3.082 0.000) 6.165 17.476 ( 1.575 0.909 0.000) 1.819 17.538 ( 3.700 2.136 0.000) 4.272 17.721 ( 5.108 2.949 0.000) 5.898 17.724 ( -0.660 -0.381 0.000) 0.762 17.918 ( -0.540 -0.312 0.000) 0.624 20.285 ( 2.045 1.181 0.000) 2.362 20.288 ( 2.383 1.376 0.000) 2.752 20.466 ( -1.406 -0.811 0.000) 1.623 20.477 ( -0.709 -0.409 0.000) 0.818 21.230 ( -1.513 -0.874 0.000) 1.747 21.334 ( -0.937 -0.541 0.000) 1.082 21.407 ( 1.619 0.935 0.000) 1.870 21.418 ( 3.513 2.028 0.000) 4.057 21.670 ( 1.542 0.891 0.000) 1.781 21.785 ( -1.450 -0.837 0.000) 1.675 21.835 ( -1.580 -0.912 0.000) 1.824 22.002 ( -10.852 -6.266 0.000) 12.531 22.754 ( -0.489 -0.282 0.000) 0.565 23.091 ( 5.892 3.402 0.000) 6.803 23.254 ( 0.691 0.399 0.000) 0.798 23.562 ( 0.459 0.265 0.000) 0.530 23.930 ( 1.383 0.799 0.000) 1.597 23.946 ( 1.547 0.893 0.000) 1.786 24.114 ( 3.842 2.218 0.000) 4.437 24.197 ( -0.825 -0.476 0.000) 0.952 24.236 ( 3.110 1.796 0.000) 3.591 24.333 ( 3.964 2.288 0.000) 4.577 24.434 ( -1.968 -1.136 0.000) 2.273 24.555 ( 3.434 1.983 0.000) 3.965 24.672 ( -0.504 -0.291 0.000) 0.582 24.750 ( -2.061 -1.190 0.000) 2.380 24.800 ( -2.204 -1.273 0.000) 2.545 24.884 ( -2.880 -1.663 0.000) 3.326 25.023 ( 0.451 0.260 0.000) 0.521 25.077 ( -4.439 -2.563 0.000) 5.126 25.899 ( -0.090 -0.052 0.000) 0.104 25.936 ( 0.869 0.501 0.000) 1.003 26.146 ( -1.060 -0.612 0.000) 1.224 26.692 ( -3.398 -1.962 0.000) 3.923 26.813 ( -0.725 -0.418 0.000) 0.837 26.951 ( -3.222 -1.860 0.000) 3.720 27.046 ( 4.647 2.683 0.000) 5.366 27.066 ( 0.323 0.187 0.000) 0.373 27.543 ( -6.344 -3.662 0.000) 7.325 27.743 ( 0.950 0.548 0.000) 1.097 27.751 ( 0.369 0.213 0.000) 0.426 27.822 ( 0.254 0.147 0.000) 0.293 28.049 ( 5.053 2.917 0.000) 5.834 28.478 ( -4.080 -2.356 0.000) 4.711 28.730 ( 3.257 1.881 0.000) 3.761 28.994 ( -3.036 -1.753 0.000) 3.505 29.648 ( -0.375 -0.217 0.000) 0.434 29.747 ( 3.307 1.909 0.000) 3.818 29.927 ( 0.137 0.079 0.000) 0.158 30.043 ( 3.151 1.819 0.000) 3.638 30.096 ( -2.698 -1.558 0.000) 3.115 30.182 ( 0.588 0.340 0.000) 0.679 30.407 ( -2.256 -1.302 0.000) 2.605 30.559 ( 0.135 0.078 0.000) 0.155 48.023 ( -0.391 -0.225 0.000) 0.451 48.070 ( 1.448 0.836 0.000) 1.672 48.309 ( -3.214 -1.856 0.000) 3.711 48.754 ( 0.296 0.171 0.000) 0.342 48.890 ( 4.854 2.803 0.000) 5.605 48.908 ( 0.113 0.065 0.000) 0.131 48.983 ( 1.448 0.836 0.000) 1.672 49.216 ( -3.306 -1.909 0.000) 3.817 49.263 ( -3.238 -1.869 0.000) 3.739 49.643 ( 0.356 0.205 0.000) 0.411 49.714 ( 3.347 1.933 0.000) 3.865 49.953 ( -2.123 -1.226 0.000) 2.451 81.814 ( 0.337 0.195 0.000) 0.390 81.862 ( 2.353 1.358 0.000) 2.717 82.080 ( -3.551 -2.050 0.000) 4.100 82.193 ( -0.749 -0.433 0.000) 0.865 82.638 ( 7.330 4.232 0.000) 8.464 83.337 ( -7.690 -4.440 0.000) 8.880 84.905 ( -3.660 -2.113 0.000) 4.226 85.028 ( -0.161 -0.093 0.000) 0.186 85.409 ( 2.512 1.451 0.000) 2.901 85.550 ( 4.819 2.782 0.000) 5.565 85.995 ( 5.504 3.178 0.000) 6.356 86.537 ( -6.507 -3.757 0.000) 7.513 90.048 ( 1.759 1.016 0.000) 2.031 90.078 ( 2.519 1.454 0.000) 2.909 90.256 ( -1.776 -1.025 0.000) 2.051 90.263 ( -1.467 -0.847 0.000) 1.694 90.811 ( 5.917 3.416 0.000) 6.832 91.125 ( 0.776 0.448 0.000) 0.896 91.247 ( -0.976 -0.563 0.000) 1.127 91.262 ( 4.904 2.831 0.000) 5.662 91.363 ( -2.102 -1.214 0.000) 2.427 91.619 ( -2.144 -1.238 0.000) 2.475 93.378 ( -5.059 -2.921 0.000) 5.842 93.715 ( -1.599 -0.923 0.000) 1.846 ======================= Grid point 3 (4/24) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -3.686 -2.128 0.000) 4.256 1.463 ( 7.823 4.517 0.000) 9.034 1.479 ( 13.011 7.512 0.000) 15.024 2.186 ( 1.732 1.000 0.000) 2.000 2.435 ( -2.183 -1.260 0.000) 2.520 2.567 ( -2.429 -1.402 0.000) 2.805 2.649 ( -1.329 -0.768 0.000) 1.535 2.661 ( -1.924 -1.111 0.000) 2.221 2.844 ( 6.573 3.795 0.000) 7.590 2.933 ( -4.335 -2.503 0.000) 5.005 2.990 ( 9.191 5.307 0.000) 10.613 3.175 ( 0.351 0.202 0.000) 0.405 3.188 ( -1.310 -0.756 0.000) 1.512 3.204 ( -4.879 -2.817 0.000) 5.633 3.329 ( -5.941 -3.430 0.000) 6.860 3.463 ( 0.775 0.447 0.000) 0.895 3.811 ( 1.392 0.804 0.000) 1.608 3.831 ( 1.230 0.710 0.000) 1.420 3.938 ( -0.685 -0.396 0.000) 0.791 3.955 ( -9.070 -5.237 0.000) 10.474 4.137 ( -0.566 -0.327 0.000) 0.654 4.269 ( -0.008 -0.005 0.000) 0.010 4.306 ( 1.690 0.976 0.000) 1.951 4.422 ( -0.973 -0.562 0.000) 1.123 4.704 ( -1.084 -0.626 0.000) 1.252 4.722 ( 4.423 2.553 0.000) 5.107 4.832 ( -1.499 -0.866 0.000) 1.731 4.978 ( 0.848 0.489 0.000) 0.979 5.042 ( 0.340 0.196 0.000) 0.393 5.056 ( 1.757 1.015 0.000) 2.029 5.114 ( -2.231 -1.288 0.000) 2.576 5.292 ( 0.256 0.148 0.000) 0.296 5.484 ( -0.131 -0.076 0.000) 0.152 5.568 ( -3.012 -1.739 0.000) 3.478 6.174 ( -2.513 -1.451 0.000) 2.901 6.270 ( -1.271 -0.734 0.000) 1.468 6.444 ( 2.045 1.181 0.000) 2.362 6.477 ( -0.200 -0.115 0.000) 0.231 6.533 ( -3.572 -2.062 0.000) 4.125 6.576 ( -0.119 -0.069 0.000) 0.137 6.880 ( -1.021 -0.589 0.000) 1.178 6.933 ( 1.476 0.852 0.000) 1.705 6.972 ( -1.433 -0.828 0.000) 1.655 7.415 ( 3.595 2.076 0.000) 4.151 7.581 ( -0.090 -0.052 0.000) 0.104 7.665 ( 2.040 1.178 0.000) 2.355 8.087 ( 0.017 0.010 0.000) 0.020 8.163 ( -5.556 -3.208 0.000) 6.415 8.294 ( 4.797 2.769 0.000) 5.539 8.603 ( -4.484 -2.589 0.000) 5.178 8.628 ( 3.125 1.804 0.000) 3.608 8.649 ( 1.544 0.891 0.000) 1.783 8.747 ( 6.546 3.779 0.000) 7.559 9.030 ( 15.067 8.699 0.000) 17.398 9.086 ( 1.856 1.072 0.000) 2.144 9.140 ( -2.505 -1.446 0.000) 2.893 9.356 ( 0.740 0.427 0.000) 0.854 9.394 ( -12.245 -7.070 0.000) 14.139 9.569 ( -6.755 -3.900 0.000) 7.800 9.709 ( 0.292 0.169 0.000) 0.337 9.827 ( -0.637 -0.368 0.000) 0.736 9.909 ( -3.083 -1.780 0.000) 3.560 10.056 ( 0.277 0.160 0.000) 0.320 10.098 ( -2.356 -1.360 0.000) 2.720 10.163 ( -0.238 -0.138 0.000) 0.275 10.329 ( 1.209 0.698 0.000) 1.396 10.370 ( -1.274 -0.735 0.000) 1.471 10.520 ( 0.057 0.033 0.000) 0.066 10.596 ( -0.594 -0.343 0.000) 0.686 10.611 ( -0.318 -0.184 0.000) 0.367 10.726 ( 3.936 2.273 0.000) 4.545 10.887 ( 2.396 1.383 0.000) 2.767 11.053 ( -2.099 -1.212 0.000) 2.424 11.075 ( 10.323 5.960 0.000) 11.920 11.256 ( -6.125 -3.536 0.000) 7.072 11.431 ( -4.295 -2.479 0.000) 4.959 11.684 ( 3.566 2.059 0.000) 4.117 11.819 ( -4.559 -2.632 0.000) 5.265 13.041 ( 2.610 1.507 0.000) 3.013 13.188 ( 8.131 4.694 0.000) 9.389 13.414 ( -9.734 -5.620 0.000) 11.240 13.768 ( -0.858 -0.495 0.000) 0.991 14.104 ( -0.048 -0.028 0.000) 0.055 14.152 ( 5.934 3.426 0.000) 6.852 14.314 ( -7.277 -4.201 0.000) 8.402 14.337 ( 6.711 3.874 0.000) 7.749 14.593 ( -0.165 -0.095 0.000) 0.190 14.757 ( -3.395 -1.960 0.000) 3.920 15.511 ( 2.391 1.381 0.000) 2.761 15.658 ( -0.949 -0.548 0.000) 1.096 16.459 ( -0.465 -0.268 0.000) 0.537 16.541 ( 0.485 0.280 0.000) 0.560 16.563 ( 1.550 0.895 0.000) 1.789 16.674 ( -0.386 -0.223 0.000) 0.445 16.678 ( -3.107 -1.794 0.000) 3.588 16.697 ( -2.606 -1.505 0.000) 3.009 17.446 ( 1.800 1.039 0.000) 2.078 17.504 ( 0.775 0.447 0.000) 0.894 17.618 ( 3.336 1.926 0.000) 3.852 17.692 ( -2.163 -1.249 0.000) 2.498 17.804 ( 2.062 1.190 0.000) 2.381 17.910 ( -0.185 -0.107 0.000) 0.213 20.322 ( 1.062 0.613 0.000) 1.227 20.340 ( 1.932 1.116 0.000) 2.231 20.431 ( -1.498 -0.865 0.000) 1.730 20.463 ( -0.454 -0.262 0.000) 0.524 21.206 ( -0.614 -0.355 0.000) 0.709 21.316 ( -0.524 -0.303 0.000) 0.605 21.433 ( 0.635 0.366 0.000) 0.733 21.500 ( 3.217 1.857 0.000) 3.714 21.708 ( 1.440 0.831 0.000) 1.663 21.765 ( -0.051 -0.029 0.000) 0.058 21.794 ( -1.987 -1.147 0.000) 2.295 21.809 ( -5.841 -3.372 0.000) 6.745 22.746 ( -0.213 -0.123 0.000) 0.246 23.171 ( 1.607 0.928 0.000) 1.855 23.269 ( 0.538 0.311 0.000) 0.621 23.569 ( 0.139 0.080 0.000) 0.161 23.958 ( 0.843 0.487 0.000) 0.973 23.975 ( 0.848 0.490 0.000) 0.980 24.181 ( -0.456 -0.263 0.000) 0.527 24.212 ( 4.683 2.704 0.000) 5.408 24.283 ( -0.237 -0.137 0.000) 0.273 24.383 ( -1.623 -0.937 0.000) 1.874 24.404 ( 1.942 1.121 0.000) 2.242 24.618 ( 2.138 1.234 0.000) 2.469 24.662 ( -1.121 -0.647 0.000) 1.295 24.719 ( -0.523 -0.302 0.000) 0.604 24.759 ( -0.603 -0.348 0.000) 0.697 24.824 ( -2.049 -1.183 0.000) 2.366 24.986 ( -2.743 -1.584 0.000) 3.168 25.037 ( 0.342 0.197 0.000) 0.395 25.900 ( 0.060 0.034 0.000) 0.069 25.950 ( 0.373 0.215 0.000) 0.431 26.127 ( -0.537 -0.310 0.000) 0.620 26.638 ( -1.346 -0.777 0.000) 1.554 26.803 ( -0.186 -0.107 0.000) 0.215 26.896 ( -1.449 -0.836 0.000) 1.673 27.071 ( 0.135 0.078 0.000) 0.156 27.143 ( 3.400 1.963 0.000) 3.925 27.418 ( -4.142 -2.391 0.000) 4.782 27.754 ( 0.153 0.088 0.000) 0.176 27.762 ( 0.383 0.221 0.000) 0.442 27.826 ( 0.115 0.066 0.000) 0.133 28.151 ( 3.472 2.004 0.000) 4.009 28.391 ( -3.110 -1.796 0.000) 3.591 28.793 ( 2.084 1.203 0.000) 2.407 28.933 ( -2.094 -1.209 0.000) 2.419 29.642 ( -0.163 -0.094 0.000) 0.188 29.813 ( 2.113 1.220 0.000) 2.440 29.930 ( 0.057 0.033 0.000) 0.065 30.041 ( -1.861 -1.074 0.000) 2.148 30.103 ( 1.811 1.046 0.000) 2.091 30.192 ( 0.255 0.147 0.000) 0.295 30.361 ( -1.438 -0.830 0.000) 1.661 30.561 ( 0.061 0.035 0.000) 0.070 48.016 ( -0.171 -0.099 0.000) 0.198 48.101 ( 1.061 0.612 0.000) 1.225 48.251 ( -1.707 -0.986 0.000) 1.971 48.759 ( 0.129 0.075 0.000) 0.149 48.910 ( 0.054 0.031 0.000) 0.062 48.985 ( 3.186 1.840 0.000) 3.679 49.015 ( 1.227 0.708 0.000) 1.417 49.154 ( -1.973 -1.139 0.000) 2.278 49.192 ( -2.602 -1.502 0.000) 3.005 49.649 ( 0.156 0.090 0.000) 0.180 49.782 ( 2.412 1.393 0.000) 2.785 49.904 ( -1.947 -1.124 0.000) 2.248 81.820 ( 0.154 0.089 0.000) 0.177 81.915 ( 2.162 1.248 0.000) 2.496 82.011 ( -2.458 -1.419 0.000) 2.838 82.180 ( -0.359 -0.207 0.000) 0.414 82.786 ( 5.106 2.948 0.000) 5.896 83.179 ( -5.430 -3.135 0.000) 6.270 84.847 ( -1.447 -0.835 0.000) 1.670 85.026 ( -0.032 -0.019 0.000) 0.037 85.449 ( 0.980 0.566 0.000) 1.131 85.622 ( 1.624 0.938 0.000) 1.875 86.156 ( 8.682 5.013 0.000) 10.025 86.366 ( -8.718 -5.033 0.000) 10.066 90.085 ( 1.289 0.744 0.000) 1.488 90.124 ( 1.357 0.783 0.000) 1.567 90.222 ( -0.963 -0.556 0.000) 1.112 90.231 ( -1.247 -0.720 0.000) 1.439 90.944 ( 5.480 3.164 0.000) 6.328 91.092 ( -3.398 -1.962 0.000) 3.924 91.260 ( 1.976 1.141 0.000) 2.281 91.313 ( -2.361 -1.363 0.000) 2.726 91.357 ( 3.014 1.740 0.000) 3.480 91.570 ( -1.845 -1.065 0.000) 2.130 93.286 ( -2.543 -1.468 0.000) 2.936 93.692 ( -0.491 -0.284 0.000) 0.567 ======================= Grid point 8 (5/24) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 10.158 17.594 0.000) 20.315 0.923 ( 13.976 24.207 0.000) 27.951 0.926 ( 8.127 14.076 0.000) 16.254 2.240 ( -4.244 -7.351 0.000) 8.488 2.329 ( 4.072 7.053 0.000) 8.145 2.475 ( 8.538 14.788 0.000) 17.075 2.616 ( -1.129 -1.955 0.000) 2.258 2.779 ( -3.197 -5.538 0.000) 6.395 2.789 ( -1.476 -2.557 0.000) 2.952 2.862 ( 1.696 2.938 0.000) 3.392 3.098 ( -2.818 -4.881 0.000) 5.637 3.225 ( -1.590 -2.754 0.000) 3.181 3.242 ( -2.326 -4.030 0.000) 4.653 3.319 ( -2.809 -4.865 0.000) 5.618 3.458 ( -1.874 -3.246 0.000) 3.748 3.522 ( -2.029 -3.514 0.000) 4.057 3.725 ( 4.622 8.006 0.000) 9.244 3.795 ( 0.578 1.002 0.000) 1.157 3.947 ( -2.879 -4.986 0.000) 5.758 4.068 ( 0.793 1.374 0.000) 1.586 4.233 ( -5.749 -9.957 0.000) 11.498 4.326 ( -1.684 -2.916 0.000) 3.368 4.413 ( 0.345 0.598 0.000) 0.690 4.479 ( 1.366 2.367 0.000) 2.733 4.502 ( 0.678 1.175 0.000) 1.357 4.730 ( -1.494 -2.587 0.000) 2.987 4.874 ( 0.457 0.792 0.000) 0.915 4.903 ( 2.840 4.918 0.000) 5.679 4.946 ( 2.278 3.946 0.000) 4.557 5.088 ( -2.670 -4.625 0.000) 5.341 5.200 ( 0.340 0.590 0.000) 0.681 5.264 ( -0.329 -0.569 0.000) 0.657 5.491 ( -0.036 -0.062 0.000) 0.071 5.720 ( -3.671 -6.359 0.000) 7.343 6.295 ( -3.415 -5.915 0.000) 6.830 6.355 ( -1.294 -2.241 0.000) 2.588 6.411 ( 0.259 0.449 0.000) 0.519 6.503 ( -0.882 -1.528 0.000) 1.764 6.549 ( -0.303 -0.525 0.000) 0.607 6.671 ( -3.137 -5.434 0.000) 6.274 6.879 ( 0.967 1.675 0.000) 1.935 6.923 ( -1.556 -2.695 0.000) 3.111 7.037 ( -1.610 -2.789 0.000) 3.220 7.239 ( 4.138 7.168 0.000) 8.277 7.575 ( 1.656 2.868 0.000) 3.311 7.625 ( -0.449 -0.778 0.000) 0.899 8.082 ( 2.396 4.149 0.000) 4.791 8.112 ( 2.724 4.717 0.000) 5.447 8.364 ( 0.354 0.614 0.000) 0.709 8.446 ( 5.217 9.036 0.000) 10.434 8.470 ( 2.126 3.683 0.000) 4.253 8.534 ( 1.722 2.983 0.000) 3.445 8.687 ( 4.210 7.292 0.000) 8.421 8.827 ( -4.412 -7.641 0.000) 8.823 9.021 ( 0.050 0.087 0.000) 0.100 9.216 ( 0.587 1.017 0.000) 1.174 9.309 ( 0.572 0.991 0.000) 1.144 9.644 ( -4.688 -8.120 0.000) 9.377 9.703 ( -0.303 -0.525 0.000) 0.606 9.807 ( -1.509 -2.613 0.000) 3.017 9.842 ( -0.636 -1.102 0.000) 1.272 10.055 ( -2.794 -4.839 0.000) 5.587 10.097 ( -4.352 -7.538 0.000) 8.704 10.199 ( 0.822 1.425 0.000) 1.645 10.204 ( -1.748 -3.027 0.000) 3.495 10.287 ( 0.444 0.769 0.000) 0.888 10.399 ( 0.219 0.379 0.000) 0.437 10.494 ( 1.592 2.758 0.000) 3.184 10.574 ( 0.357 0.619 0.000) 0.715 10.588 ( 2.662 4.610 0.000) 5.323 10.686 ( -2.753 -4.768 0.000) 5.505 10.743 ( 5.542 9.600 0.000) 11.085 10.815 ( 1.153 1.997 0.000) 2.306 11.134 ( -1.871 -3.240 0.000) 3.742 11.356 ( -0.369 -0.639 0.000) 0.737 11.594 ( -1.315 -2.278 0.000) 2.630 11.599 ( -0.890 -1.541 0.000) 1.780 11.964 ( -3.030 -5.249 0.000) 6.061 12.921 ( 2.823 4.889 0.000) 5.645 12.982 ( 3.703 6.414 0.000) 7.406 13.697 ( -5.318 -9.211 0.000) 10.636 13.800 ( -0.799 -1.385 0.000) 1.599 14.012 ( 2.097 3.632 0.000) 4.193 14.074 ( 5.713 9.895 0.000) 11.426 14.111 ( -0.042 -0.072 0.000) 0.083 14.553 ( -3.707 -6.420 0.000) 7.414 14.574 ( -0.925 -1.603 0.000) 1.851 14.841 ( -0.856 -1.483 0.000) 1.712 15.415 ( 2.181 3.778 0.000) 4.362 15.674 ( 0.552 0.956 0.000) 1.104 16.497 ( -0.595 -1.030 0.000) 1.189 16.524 ( -0.113 -0.196 0.000) 0.227 16.528 ( 0.345 0.598 0.000) 0.691 16.707 ( -2.548 -4.413 0.000) 5.096 16.788 ( -2.368 -4.101 0.000) 4.736 16.824 ( -3.321 -5.751 0.000) 6.641 17.356 ( 4.593 7.955 0.000) 9.186 17.471 ( 1.157 2.004 0.000) 2.314 17.514 ( 1.864 3.229 0.000) 3.728 17.678 ( 2.540 4.400 0.000) 5.081 17.726 ( -0.147 -0.255 0.000) 0.295 17.922 ( -0.285 -0.493 0.000) 0.570 20.273 ( 1.171 2.027 0.000) 2.341 20.274 ( 1.304 2.258 0.000) 2.607 20.477 ( -0.548 -0.949 0.000) 1.096 20.477 ( -0.542 -0.940 0.000) 1.085 21.247 ( -0.702 -1.216 0.000) 1.404 21.316 ( -0.993 -1.719 0.000) 1.985 21.398 ( 1.825 3.161 0.000) 3.650 21.411 ( 1.165 2.019 0.000) 2.331 21.662 ( 0.783 1.356 0.000) 1.566 21.793 ( -0.961 -1.665 0.000) 1.923 21.844 ( -0.737 -1.277 0.000) 1.475 22.067 ( -6.691 -11.589 0.000) 13.382 22.756 ( -0.359 -0.622 0.000) 0.719 23.055 ( 4.270 7.396 0.000) 8.540 23.249 ( 0.307 0.532 0.000) 0.614 23.560 ( 0.343 0.594 0.000) 0.686 23.907 ( -0.092 -0.160 0.000) 0.185 23.953 ( 1.693 2.932 0.000) 3.386 24.094 ( 1.971 3.414 0.000) 3.942 24.204 ( -0.350 -0.607 0.000) 0.700 24.212 ( 1.427 2.472 0.000) 2.854 24.307 ( 2.132 3.694 0.000) 4.265 24.480 ( 0.089 0.155 0.000) 0.179 24.506 ( 1.368 2.370 0.000) 2.737 24.670 ( -0.677 -1.172 0.000) 1.354 24.762 ( -1.238 -2.145 0.000) 2.476 24.827 ( -0.363 -0.628 0.000) 0.725 24.900 ( -1.555 -2.693 0.000) 3.109 25.006 ( -0.498 -0.862 0.000) 0.995 25.102 ( -2.534 -4.389 0.000) 5.068 25.916 ( 0.205 0.356 0.000) 0.411 25.921 ( 0.594 1.028 0.000) 1.188 26.149 ( -0.778 -1.347 0.000) 1.555 26.712 ( -2.169 -3.757 0.000) 4.338 26.818 ( -0.446 -0.773 0.000) 0.892 26.968 ( -2.065 -3.577 0.000) 4.131 27.020 ( 2.608 4.518 0.000) 5.217 27.065 ( 0.284 0.492 0.000) 0.568 27.578 ( -3.714 -6.433 0.000) 7.429 27.737 ( 0.635 1.100 0.000) 1.270 27.749 ( 0.189 0.327 0.000) 0.378 27.823 ( 0.233 0.404 0.000) 0.467 28.020 ( 2.844 4.925 0.000) 5.687 28.501 ( -2.224 -3.852 0.000) 4.448 28.711 ( 1.894 3.280 0.000) 3.787 29.012 ( -1.700 -2.944 0.000) 3.399 29.649 ( -0.284 -0.493 0.000) 0.569 29.730 ( 1.937 3.355 0.000) 3.874 29.921 ( -0.125 -0.217 0.000) 0.250 30.032 ( 2.099 3.635 0.000) 4.198 30.110 ( -1.560 -2.702 0.000) 3.120 30.180 ( 0.409 0.709 0.000) 0.819 30.417 ( -1.384 -2.398 0.000) 2.769 30.559 ( 0.117 0.202 0.000) 0.233 48.024 ( -0.276 -0.478 0.000) 0.552 48.063 ( 0.842 1.458 0.000) 1.684 48.327 ( -1.966 -3.405 0.000) 3.932 48.753 ( 0.218 0.377 0.000) 0.435 48.861 ( 2.774 4.804 0.000) 5.547 48.907 ( 0.051 0.088 0.000) 0.102 48.975 ( 0.780 1.351 0.000) 1.560 49.235 ( -1.963 -3.400 0.000) 3.927 49.281 ( -1.739 -3.013 0.000) 3.479 49.645 ( 0.362 0.627 0.000) 0.723 49.690 ( 1.785 3.091 0.000) 3.569 49.965 ( -1.113 -1.928 0.000) 2.226 81.812 ( 0.204 0.353 0.000) 0.408 81.848 ( 1.245 2.157 0.000) 2.491 82.102 ( -2.089 -3.619 0.000) 4.178 82.197 ( -0.488 -0.846 0.000) 0.977 82.596 ( 4.194 7.265 0.000) 8.389 83.380 ( -4.272 -7.399 0.000) 8.543 84.959 ( -2.019 -3.496 0.000) 4.037 84.983 ( -1.036 -1.795 0.000) 2.073 85.394 ( 1.587 2.749 0.000) 3.175 85.554 ( 4.839 8.381 0.000) 9.678 85.947 ( 1.464 2.536 0.000) 2.928 86.572 ( -3.320 -5.751 0.000) 6.640 90.038 ( 0.995 1.723 0.000) 1.989 90.063 ( 1.434 2.483 0.000) 2.868 90.268 ( -0.963 -1.668 0.000) 1.927 90.269 ( -0.834 -1.445 0.000) 1.668 90.779 ( 3.295 5.707 0.000) 6.590 91.124 ( 1.244 2.154 0.000) 2.487 91.235 ( 2.816 4.878 0.000) 5.633 91.252 ( -0.951 -1.647 0.000) 1.901 91.372 ( -1.277 -2.211 0.000) 2.553 91.630 ( -1.133 -1.962 0.000) 2.266 93.425 ( -1.929 -3.341 0.000) 3.858 93.703 ( -2.210 -3.828 0.000) 4.421 ======================= Grid point 9 (6/24) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -14.232 17.564 0.000) 22.607 1.227 ( 20.174 -2.659 0.000) 20.349 1.383 ( 14.557 20.153 0.000) 24.861 2.204 ( 0.459 3.817 0.000) 3.844 2.416 ( 0.213 -2.472 0.000) 2.481 2.566 ( -1.775 -4.345 0.000) 4.693 2.682 ( -3.045 -1.696 0.000) 3.485 2.700 ( -3.281 -1.834 0.000) 3.759 2.780 ( 9.872 12.048 0.000) 15.576 2.928 ( 3.527 3.328 0.000) 4.850 2.942 ( -4.294 -8.808 0.000) 9.799 3.182 ( -0.966 -0.795 0.000) 1.251 3.226 ( -1.470 1.995 0.000) 2.478 3.254 ( -2.583 -0.295 0.000) 2.600 3.395 ( -4.956 -3.067 0.000) 5.828 3.449 ( 0.766 -1.590 0.000) 1.764 3.789 ( -0.618 -2.574 0.000) 2.647 3.816 ( -0.705 -2.450 0.000) 2.549 3.883 ( 4.611 -2.427 0.000) 5.211 4.009 ( -7.909 -11.905 0.000) 14.293 4.070 ( -0.972 -1.092 0.000) 1.462 4.320 ( 0.675 4.012 0.000) 4.068 4.394 ( -0.739 -3.339 0.000) 3.420 4.467 ( -6.358 10.601 0.000) 12.362 4.642 ( 9.171 2.571 0.000) 9.525 4.681 ( -0.379 -4.333 0.000) 4.350 4.865 ( -2.252 0.348 0.000) 2.279 4.979 ( -0.676 1.318 0.000) 1.481 5.017 ( 1.622 -1.646 0.000) 2.311 5.022 ( 2.926 1.384 0.000) 3.237 5.184 ( -4.284 2.019 0.000) 4.736 5.263 ( 2.086 -2.161 0.000) 3.004 5.486 ( -0.255 -0.226 0.000) 0.341 5.603 ( -3.879 -3.892 0.000) 5.494 6.185 ( -2.786 -4.542 0.000) 5.329 6.311 ( -2.223 0.304 0.000) 2.244 6.437 ( 1.281 2.378 0.000) 2.701 6.467 ( -1.067 -1.795 0.000) 2.088 6.543 ( 1.300 -3.260 0.000) 3.510 6.576 ( -3.660 -2.698 0.000) 4.547 6.869 ( -0.868 -3.633 0.000) 3.736 6.921 ( 1.522 1.837 0.000) 2.385 6.989 ( -1.517 -1.263 0.000) 1.974 7.367 ( 4.513 4.060 0.000) 6.071 7.591 ( -1.557 -1.181 0.000) 1.954 7.670 ( 3.192 6.490 0.000) 7.232 8.129 ( -1.525 4.557 0.000) 4.806 8.229 ( 6.158 3.265 0.000) 6.970 8.230 ( -7.229 -6.393 0.000) 9.650 8.579 ( 4.180 2.890 0.000) 5.082 8.597 ( 2.741 1.054 0.000) 2.937 8.667 ( -5.852 -6.071 0.000) 8.432 8.689 ( 8.811 10.475 0.000) 13.688 8.893 ( 10.469 10.001 0.000) 14.478 9.049 ( 2.671 0.684 0.000) 2.757 9.195 ( -3.444 0.116 0.000) 3.446 9.333 ( 1.563 -0.276 0.000) 1.587 9.461 ( -7.194 -10.250 0.000) 12.522 9.685 ( -8.709 -4.467 0.000) 9.788 9.707 ( 0.581 0.643 0.000) 0.867 9.819 ( -0.404 -1.940 0.000) 1.981 9.947 ( -4.629 -3.038 0.000) 5.537 10.015 ( 1.917 -4.110 0.000) 4.535 10.136 ( -3.218 -2.072 0.000) 3.828 10.214 ( -1.891 3.898 0.000) 4.332 10.312 ( 1.686 0.554 0.000) 1.774 10.385 ( -1.266 -0.828 0.000) 1.512 10.521 ( 0.312 0.513 0.000) 0.601 10.589 ( 0.250 -0.071 0.000) 0.260 10.607 ( -1.177 -3.235 0.000) 3.443 10.707 ( 3.851 7.128 0.000) 8.102 10.873 ( 2.259 3.378 0.000) 4.064 10.943 ( 9.526 4.936 0.000) 10.729 11.070 ( -2.172 -2.745 0.000) 3.501 11.287 ( -4.141 -5.967 0.000) 7.263 11.521 ( -5.453 0.960 0.000) 5.537 11.627 ( 4.290 0.049 0.000) 4.290 11.855 ( -4.005 -4.943 0.000) 6.362 13.029 ( 3.154 5.584 0.000) 6.413 13.115 ( 5.786 5.119 0.000) 7.725 13.500 ( -7.937 -8.192 0.000) 11.406 13.767 ( -0.829 -2.118 0.000) 2.274 14.102 ( 3.135 3.757 0.000) 4.893 14.111 ( 0.850 0.925 0.000) 1.257 14.284 ( 7.260 9.601 0.000) 12.037 14.403 ( -7.324 -4.139 0.000) 8.412 14.559 ( 1.441 -3.283 0.000) 3.585 14.781 ( -3.097 -4.197 0.000) 5.216 15.493 ( 2.670 3.656 0.000) 4.527 15.673 ( -1.059 -0.390 0.000) 1.129 16.480 ( -1.295 1.033 0.000) 1.656 16.535 ( 1.887 -0.284 0.000) 1.908 16.536 ( 0.208 0.180 0.000) 0.275 16.655 ( 0.154 -2.412 0.000) 2.416 16.699 ( -3.096 -4.374 0.000) 5.359 16.723 ( -3.099 -3.588 0.000) 4.741 17.480 ( 0.905 7.665 0.000) 7.718 17.512 ( 0.611 2.826 0.000) 2.891 17.582 ( 3.101 2.240 0.000) 3.825 17.707 ( -1.320 -1.574 0.000) 2.054 17.754 ( 3.589 0.278 0.000) 3.599 17.914 ( -0.312 -0.170 0.000) 0.355 20.313 ( 1.233 1.640 0.000) 2.052 20.324 ( 1.879 2.297 0.000) 2.967 20.448 ( -1.581 -1.007 0.000) 1.874 20.461 ( -0.251 -1.251 0.000) 1.276 21.221 ( -1.371 -0.206 0.000) 1.387 21.292 ( 0.587 -2.754 0.000) 2.816 21.441 ( 0.260 1.673 0.000) 1.693 21.475 ( 3.096 3.941 0.000) 5.012 21.697 ( 1.386 1.858 0.000) 2.318 21.763 ( -0.592 -1.294 0.000) 1.423 21.811 ( -1.539 -1.525 0.000) 2.166 21.858 ( -6.478 -8.279 0.000) 10.512 22.744 ( -0.198 -0.644 0.000) 0.674 23.165 ( 2.162 3.953 0.000) 4.505 23.261 ( 0.593 0.248 0.000) 0.643 23.570 ( 0.152 0.435 0.000) 0.461 23.906 ( 1.018 -1.779 0.000) 2.049 24.015 ( 1.044 4.640 0.000) 4.756 24.177 ( 3.437 4.134 0.000) 5.376 24.189 ( -0.780 -0.483 0.000) 0.918 24.266 ( 2.113 1.624 0.000) 2.665 24.377 ( 2.480 1.926 0.000) 3.140 24.440 ( -4.072 0.559 0.000) 4.110 24.576 ( 3.988 0.961 0.000) 4.102 24.662 ( 0.248 -0.226 0.000) 0.336 24.727 ( -0.838 -0.816 0.000) 1.170 24.787 ( -3.062 -1.226 0.000) 3.298 24.840 ( -2.197 -2.869 0.000) 3.613 24.997 ( 0.863 -2.426 0.000) 2.575 25.018 ( -2.280 -3.078 0.000) 3.830 25.917 ( -0.606 1.179 0.000) 1.325 25.950 ( 0.774 1.589 0.000) 1.767 26.121 ( -0.509 -2.000 0.000) 2.063 26.649 ( -1.678 -2.223 0.000) 2.785 26.807 ( -0.270 -0.077 0.000) 0.281 26.903 ( -1.691 -2.930 0.000) 3.383 27.074 ( 0.082 0.612 0.000) 0.618 27.114 ( 3.482 4.328 0.000) 5.555 27.447 ( -4.271 -6.021 0.000) 7.382 27.754 ( 0.177 0.512 0.000) 0.542 27.757 ( 0.498 0.386 0.000) 0.631 27.829 ( 0.019 0.500 0.000) 0.500 28.123 ( 3.635 4.669 0.000) 5.917 28.415 ( -3.169 -4.097 0.000) 5.179 28.776 ( 2.199 2.765 0.000) 3.533 28.950 ( -2.185 -2.760 0.000) 3.520 29.640 ( -0.144 -0.528 0.000) 0.548 29.802 ( 2.304 3.711 0.000) 4.368 29.919 ( 0.349 -0.697 0.000) 0.780 30.050 ( -1.992 -3.288 0.000) 3.844 30.105 ( 1.775 4.318 0.000) 4.668 30.193 ( 0.263 0.660 0.000) 0.710 30.364 ( -1.530 -3.096 0.000) 3.454 30.562 ( 0.030 0.236 0.000) 0.238 48.016 ( -0.172 -0.462 0.000) 0.493 48.097 ( 1.110 1.934 0.000) 2.230 48.262 ( -1.967 -2.906 0.000) 3.509 48.760 ( 0.119 0.395 0.000) 0.413 48.909 ( 0.091 0.049 0.000) 0.103 48.959 ( 3.388 4.238 0.000) 5.426 49.007 ( 1.216 1.728 0.000) 2.113 49.167 ( -2.144 -3.070 0.000) 3.745 49.212 ( -2.608 -3.365 0.000) 4.257 49.656 ( -0.082 0.957 0.000) 0.960 49.756 ( 2.648 2.493 0.000) 3.637 49.920 ( -1.817 -2.266 0.000) 2.905 81.818 ( 0.186 0.261 0.000) 0.321 81.897 ( 1.914 2.193 0.000) 2.911 82.035 ( -2.371 -2.494 0.000) 3.441 82.181 ( -0.389 -0.843 0.000) 0.928 82.746 ( 5.301 6.923 0.000) 8.719 83.222 ( -5.672 -7.376 0.000) 9.305 84.882 ( -3.487 -0.594 0.000) 3.537 84.974 ( 2.346 -4.208 0.000) 4.818 85.441 ( 1.245 1.655 0.000) 2.071 85.696 ( -0.322 11.316 0.000) 11.320 86.038 ( 7.901 1.497 0.000) 8.041 86.427 ( -6.327 -7.904 0.000) 10.125 90.077 ( 1.335 2.087 0.000) 2.478 90.111 ( 1.614 1.877 0.000) 2.475 90.230 ( -1.389 -1.884 0.000) 2.341 90.240 ( -1.016 -1.388 0.000) 1.720 90.907 ( 4.685 6.397 0.000) 7.929 91.145 ( -2.659 1.525 0.000) 3.066 91.228 ( 1.469 -1.605 0.000) 2.175 91.324 ( -1.600 -2.685 0.000) 3.125 91.335 ( 3.326 4.533 0.000) 5.622 91.582 ( -1.870 -2.642 0.000) 3.237 93.352 ( -4.583 0.333 0.000) 4.595 93.643 ( 1.027 -6.104 0.000) 6.190 ======================= Grid point 10 (7/24) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -10.687 18.511 0.000) 21.375 1.403 ( 5.537 -9.591 0.000) 11.075 1.653 ( -5.724 9.915 0.000) 11.449 2.241 ( -2.059 3.567 0.000) 4.119 2.331 ( 4.900 -8.487 0.000) 9.800 2.511 ( 2.183 -3.781 0.000) 4.366 2.657 ( -0.906 1.570 0.000) 1.812 2.687 ( -1.807 3.130 0.000) 3.615 2.856 ( 2.749 -4.761 0.000) 5.497 2.900 ( -1.017 1.761 0.000) 2.034 3.088 ( -0.233 0.403 0.000) 0.466 3.163 ( -1.067 1.848 0.000) 2.134 3.184 ( -0.482 0.835 0.000) 0.964 3.209 ( -1.265 2.191 0.000) 2.530 3.317 ( -1.858 3.218 0.000) 3.715 3.482 ( -0.748 1.295 0.000) 1.495 3.781 ( 4.421 -7.657 0.000) 8.841 3.783 ( 2.620 -4.538 0.000) 5.241 3.829 ( 3.622 -6.273 0.000) 7.244 3.946 ( -0.593 1.026 0.000) 1.185 4.034 ( -0.246 0.426 0.000) 0.492 4.360 ( 3.126 -5.415 0.000) 6.253 4.364 ( -2.651 4.591 0.000) 5.302 4.473 ( -7.158 12.398 0.000) 14.316 4.650 ( 2.528 -4.378 0.000) 5.055 4.783 ( -1.453 2.517 0.000) 2.907 4.806 ( 0.865 -1.499 0.000) 1.730 4.950 ( 1.482 -2.567 0.000) 2.964 5.053 ( 0.548 -0.950 0.000) 1.097 5.069 ( -1.113 1.928 0.000) 2.226 5.133 ( -1.548 2.681 0.000) 3.096 5.273 ( 1.103 -1.910 0.000) 2.205 5.483 ( -0.044 0.077 0.000) 0.089 5.546 ( 0.438 -0.759 0.000) 0.876 6.138 ( 0.972 -1.684 0.000) 1.945 6.297 ( -1.720 2.980 0.000) 3.441 6.445 ( 1.482 -2.567 0.000) 2.964 6.485 ( -1.306 2.261 0.000) 2.611 6.508 ( 0.037 -0.065 0.000) 0.075 6.536 ( 2.220 -3.846 0.000) 4.441 6.842 ( 1.705 -2.952 0.000) 3.409 6.949 ( -0.340 0.589 0.000) 0.680 6.966 ( -0.197 0.341 0.000) 0.394 7.435 ( -0.391 0.678 0.000) 0.782 7.562 ( 1.053 -1.823 0.000) 2.105 7.754 ( -3.957 6.854 0.000) 7.914 8.111 ( 1.479 -2.562 0.000) 2.958 8.136 ( -2.724 4.718 0.000) 5.447 8.320 ( 0.359 -0.621 0.000) 0.717 8.558 ( 0.942 -1.631 0.000) 1.883 8.627 ( 0.827 -1.432 0.000) 1.653 8.636 ( 1.104 -1.912 0.000) 2.208 8.842 ( -3.321 5.751 0.000) 6.641 9.102 ( -0.042 0.073 0.000) 0.084 9.136 ( 0.433 -0.749 0.000) 0.865 9.137 ( -0.842 1.458 0.000) 1.684 9.252 ( 2.185 -3.785 0.000) 4.370 9.346 ( 0.749 -1.297 0.000) 1.498 9.556 ( -0.772 1.336 0.000) 1.543 9.720 ( -0.509 0.882 0.000) 1.018 9.802 ( 1.030 -1.784 0.000) 2.060 9.890 ( -0.286 0.496 0.000) 0.573 10.029 ( 1.739 -3.012 0.000) 3.478 10.085 ( -0.013 0.022 0.000) 0.026 10.216 ( -2.729 4.727 0.000) 5.458 10.340 ( -0.016 0.027 0.000) 0.032 10.359 ( 0.125 -0.216 0.000) 0.249 10.527 ( -0.360 0.624 0.000) 0.720 10.567 ( 1.167 -2.022 0.000) 2.334 10.603 ( 0.427 -0.740 0.000) 0.855 10.788 ( -2.446 4.237 0.000) 4.892 10.920 ( -1.014 1.757 0.000) 2.028 11.029 ( 0.701 -1.214 0.000) 1.401 11.125 ( 2.349 -4.069 0.000) 4.699 11.140 ( 2.151 -3.725 0.000) 4.302 11.470 ( -3.096 5.362 0.000) 6.192 11.696 ( 0.765 -1.326 0.000) 1.531 11.768 ( 1.128 -1.953 0.000) 2.255 13.087 ( -1.917 3.320 0.000) 3.834 13.254 ( 0.288 -0.499 0.000) 0.577 13.325 ( 0.670 -1.160 0.000) 1.339 13.747 ( 0.819 -1.418 0.000) 1.637 14.108 ( -0.211 0.365 0.000) 0.422 14.210 ( -0.417 0.723 0.000) 0.835 14.272 ( -0.806 1.396 0.000) 1.612 14.420 ( -2.538 4.397 0.000) 5.077 14.556 ( 1.926 -3.337 0.000) 3.853 14.708 ( 1.716 -2.972 0.000) 3.432 15.544 ( -1.118 1.937 0.000) 2.236 15.651 ( 0.215 -0.372 0.000) 0.430 16.475 ( -1.115 1.932 0.000) 2.231 16.540 ( 0.252 -0.437 0.000) 0.504 16.566 ( 0.432 -0.749 0.000) 0.865 16.634 ( 1.411 -2.444 0.000) 2.822 16.652 ( 0.834 -1.444 0.000) 1.668 16.673 ( 0.511 -0.884 0.000) 1.021 17.524 ( -3.598 6.232 0.000) 7.196 17.532 ( -1.344 2.327 0.000) 2.687 17.645 ( -0.023 0.039 0.000) 0.046 17.662 ( 0.642 -1.113 0.000) 1.285 17.787 ( 1.637 -2.835 0.000) 3.274 17.910 ( -0.060 0.104 0.000) 0.120 20.333 ( -0.316 0.547 0.000) 0.632 20.361 ( -0.501 0.868 0.000) 1.002 20.421 ( 0.028 -0.048 0.000) 0.055 20.451 ( 0.512 -0.887 0.000) 1.025 21.208 ( -0.325 0.562 0.000) 0.649 21.283 ( 1.420 -2.459 0.000) 2.840 21.451 ( -0.580 1.004 0.000) 1.159 21.540 ( -1.217 2.107 0.000) 2.433 21.724 ( -0.433 0.750 0.000) 0.867 21.744 ( 1.826 -3.162 0.000) 3.651 21.760 ( 0.461 -0.798 0.000) 0.922 21.777 ( 0.103 -0.178 0.000) 0.205 22.739 ( 0.257 -0.445 0.000) 0.514 23.200 ( -1.117 1.934 0.000) 2.233 23.269 ( 0.234 -0.405 0.000) 0.467 23.573 ( -0.161 0.278 0.000) 0.321 23.906 ( 1.533 -2.656 0.000) 3.066 24.052 ( -2.419 4.189 0.000) 4.837 24.177 ( 0.193 -0.335 0.000) 0.387 24.262 ( -0.057 0.099 0.000) 0.115 24.270 ( -0.842 1.458 0.000) 1.684 24.400 ( -1.100 1.905 0.000) 2.200 24.408 ( 0.316 -0.548 0.000) 0.633 24.637 ( -0.190 0.330 0.000) 0.381 24.645 ( 0.169 -0.292 0.000) 0.337 24.722 ( -0.316 0.548 0.000) 0.632 24.748 ( 0.665 -1.152 0.000) 1.331 24.799 ( 0.758 -1.312 0.000) 1.515 24.968 ( 0.157 -0.273 0.000) 0.315 25.006 ( 1.646 -2.852 0.000) 3.293 25.918 ( -0.668 1.158 0.000) 1.337 25.966 ( -1.040 1.801 0.000) 2.080 26.105 ( 1.099 -1.903 0.000) 2.198 26.624 ( 0.348 -0.602 0.000) 0.695 26.806 ( -0.258 0.447 0.000) 0.517 26.872 ( 0.901 -1.561 0.000) 1.803 27.078 ( -0.297 0.514 0.000) 0.594 27.182 ( -1.139 1.973 0.000) 2.278 27.365 ( 1.660 -2.874 0.000) 3.319 27.757 ( -0.146 0.252 0.000) 0.291 27.764 ( -0.003 0.006 0.000) 0.007 27.832 ( -0.240 0.415 0.000) 0.480 28.192 ( -1.218 2.109 0.000) 2.436 28.353 ( 1.150 -1.992 0.000) 2.301 28.817 ( -0.670 1.161 0.000) 1.340 28.909 ( 0.689 -1.193 0.000) 1.378 29.636 ( 0.220 -0.380 0.000) 0.439 29.848 ( -1.341 2.323 0.000) 2.682 29.918 ( 0.504 -0.873 0.000) 1.008 30.008 ( 1.269 -2.198 0.000) 2.538 30.148 ( -1.861 3.224 0.000) 3.723 30.198 ( -0.231 0.400 0.000) 0.462 30.330 ( 1.364 -2.362 0.000) 2.728 30.564 ( -0.108 0.187 0.000) 0.215 48.012 ( 0.168 -0.291 0.000) 0.337 48.121 ( -0.807 1.398 0.000) 1.614 48.226 ( 0.897 -1.554 0.000) 1.794 48.763 ( -0.159 0.276 0.000) 0.319 48.910 ( 0.008 -0.014 0.000) 0.017 49.022 ( -1.042 1.805 0.000) 2.084 49.033 ( -0.602 1.043 0.000) 1.204 49.127 ( 0.875 -1.515 0.000) 1.749 49.160 ( 0.968 -1.677 0.000) 1.937 49.660 ( -0.510 0.884 0.000) 1.020 49.802 ( -0.368 0.638 0.000) 0.737 49.882 ( 0.613 -1.062 0.000) 1.226 81.821 ( -0.052 0.089 0.000) 0.103 81.936 ( -0.387 0.670 0.000) 0.773 81.991 ( 0.279 -0.483 0.000) 0.557 82.173 ( 0.290 -0.503 0.000) 0.580 82.849 ( -1.926 3.335 0.000) 3.851 83.113 ( 2.000 -3.464 0.000) 4.000 84.849 ( -0.597 1.035 0.000) 1.195 84.973 ( 2.510 -4.348 0.000) 5.020 85.460 ( -0.268 0.465 0.000) 0.536 85.745 ( -6.059 10.495 0.000) 12.118 86.209 ( 1.465 -2.538 0.000) 2.930 86.243 ( 2.666 -4.618 0.000) 5.332 90.105 ( -0.758 1.313 0.000) 1.517 90.137 ( -0.273 0.473 0.000) 0.546 90.204 ( 0.761 -1.318 0.000) 1.522 90.220 ( 0.170 -0.294 0.000) 0.340 91.015 ( -1.829 3.168 0.000) 3.658 91.085 ( -1.160 2.009 0.000) 2.319 91.261 ( 1.848 -3.201 0.000) 3.696 91.279 ( 0.043 -0.074 0.000) 0.086 91.396 ( -1.261 2.184 0.000) 2.522 91.542 ( 0.968 -1.677 0.000) 1.937 93.311 ( -2.253 3.902 0.000) 4.506 93.623 ( 3.687 -6.386 0.000) 7.374 ======================= Grid point 17 (8/24) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 1.880 3.257 0.000) 3.760 1.179 ( 1.708 2.959 0.000) 3.416 1.778 ( 11.393 19.734 0.000) 22.787 2.216 ( -9.026 -15.634 0.000) 18.052 2.281 ( 1.588 2.751 0.000) 3.177 2.466 ( -2.549 -4.414 0.000) 5.097 2.688 ( 1.222 2.117 0.000) 2.444 2.729 ( 1.527 2.644 0.000) 3.053 2.794 ( -3.507 -6.074 0.000) 7.013 2.914 ( 1.058 1.832 0.000) 2.116 3.056 ( 5.011 8.680 0.000) 10.023 3.192 ( 1.276 2.210 0.000) 2.552 3.204 ( -3.105 -5.377 0.000) 6.209 3.243 ( -0.630 -1.092 0.000) 1.261 3.436 ( 2.117 3.667 0.000) 4.235 3.447 ( 2.760 4.781 0.000) 5.520 3.672 ( -3.243 -5.617 0.000) 6.486 3.716 ( -2.098 -3.633 0.000) 4.195 3.760 ( -7.318 -12.675 0.000) 14.636 3.950 ( 1.873 3.244 0.000) 3.746 4.098 ( 2.383 4.127 0.000) 4.765 4.275 ( -4.233 -7.332 0.000) 8.466 4.431 ( 3.732 6.463 0.000) 7.463 4.586 ( -3.088 -5.348 0.000) 6.176 4.638 ( 2.391 4.142 0.000) 4.783 4.725 ( 3.899 6.753 0.000) 7.798 4.838 ( -2.043 -3.539 0.000) 4.086 4.921 ( -1.441 -2.496 0.000) 2.882 5.041 ( 0.373 0.646 0.000) 0.746 5.086 ( 2.630 4.556 0.000) 5.260 5.180 ( -1.928 -3.339 0.000) 3.855 5.239 ( 0.296 0.513 0.000) 0.592 5.488 ( 0.384 0.664 0.000) 0.767 5.535 ( -1.759 -3.046 0.000) 3.518 6.122 ( -1.045 -1.811 0.000) 2.091 6.340 ( 1.544 2.674 0.000) 3.088 6.422 ( -1.704 -2.951 0.000) 3.407 6.473 ( -1.591 -2.756 0.000) 3.182 6.491 ( 1.605 2.780 0.000) 3.209 6.534 ( -1.086 -1.881 0.000) 2.172 6.803 ( -1.385 -2.399 0.000) 2.771 6.954 ( 0.800 1.386 0.000) 1.601 6.973 ( -0.339 -0.587 0.000) 0.678 7.446 ( 2.354 4.078 0.000) 4.709 7.538 ( -2.028 -3.513 0.000) 4.057 7.841 ( 5.635 9.760 0.000) 11.270 8.076 ( -5.291 -9.165 0.000) 10.583 8.221 ( 2.129 3.687 0.000) 4.258 8.276 ( 1.066 1.846 0.000) 2.131 8.546 ( -2.925 -5.066 0.000) 5.849 8.606 ( 0.362 0.627 0.000) 0.724 8.611 ( 0.155 0.268 0.000) 0.310 8.921 ( 6.707 11.618 0.000) 13.415 9.070 ( 4.390 7.604 0.000) 8.780 9.094 ( 1.957 3.390 0.000) 3.914 9.166 ( -1.637 -2.835 0.000) 3.274 9.245 ( -6.871 -11.901 0.000) 13.743 9.326 ( -0.122 -0.211 0.000) 0.244 9.576 ( -2.980 -5.161 0.000) 5.960 9.732 ( 1.014 1.756 0.000) 2.027 9.780 ( -1.155 -2.000 0.000) 2.310 9.925 ( 0.092 0.160 0.000) 0.185 9.967 ( -0.516 -0.894 0.000) 1.033 10.090 ( -1.197 -2.074 0.000) 2.395 10.285 ( 1.588 2.751 0.000) 3.177 10.323 ( 0.374 0.648 0.000) 0.749 10.362 ( -0.855 -1.481 0.000) 1.711 10.530 ( 0.285 0.493 0.000) 0.569 10.549 ( -1.083 -1.875 0.000) 2.165 10.592 ( -0.069 -0.120 0.000) 0.138 10.858 ( 4.268 7.393 0.000) 8.537 10.940 ( 1.951 3.379 0.000) 3.902 11.014 ( 1.847 3.199 0.000) 3.694 11.015 ( -1.705 -2.952 0.000) 3.409 11.134 ( -5.224 -9.047 0.000) 10.447 11.552 ( 0.582 1.008 0.000) 1.164 11.654 ( 1.948 3.374 0.000) 3.896 11.755 ( -3.031 -5.250 0.000) 6.062 13.145 ( 3.187 5.520 0.000) 6.374 13.198 ( 2.107 3.649 0.000) 4.214 13.343 ( -4.432 -7.677 0.000) 8.865 13.730 ( -0.742 -1.285 0.000) 1.484 14.112 ( 0.066 0.114 0.000) 0.132 14.201 ( 3.139 5.437 0.000) 6.278 14.315 ( -2.922 -5.061 0.000) 5.844 14.472 ( 5.365 9.293 0.000) 10.731 14.508 ( -0.919 -1.592 0.000) 1.838 14.670 ( -4.060 -7.033 0.000) 8.121 15.568 ( 2.187 3.787 0.000) 4.373 15.645 ( -1.405 -2.434 0.000) 2.810 16.520 ( 1.411 2.443 0.000) 2.821 16.532 ( 0.360 0.623 0.000) 0.719 16.533 ( -0.193 -0.335 0.000) 0.387 16.610 ( -2.694 -4.666 0.000) 5.388 16.636 ( 0.179 0.310 0.000) 0.358 16.665 ( -1.282 -2.221 0.000) 2.565 17.570 ( 1.457 2.523 0.000) 2.913 17.616 ( 3.302 5.720 0.000) 6.605 17.618 ( 1.030 1.785 0.000) 2.061 17.664 ( -1.574 -2.726 0.000) 3.147 17.731 ( -1.370 -2.372 0.000) 2.739 17.912 ( -0.024 -0.041 0.000) 0.048 20.339 ( 0.520 0.901 0.000) 1.040 20.369 ( 1.175 2.036 0.000) 2.351 20.430 ( -0.672 -1.165 0.000) 1.345 20.434 ( -0.589 -1.020 0.000) 1.178 21.221 ( 0.153 0.265 0.000) 0.306 21.249 ( -0.902 -1.562 0.000) 1.803 21.461 ( 0.292 0.505 0.000) 0.583 21.564 ( 3.032 5.252 0.000) 6.064 21.708 ( -4.019 -6.961 0.000) 8.038 21.736 ( 1.154 1.998 0.000) 2.307 21.743 ( -0.324 -0.562 0.000) 0.649 21.779 ( -1.047 -1.813 0.000) 2.093 22.734 ( -0.185 -0.321 0.000) 0.371 23.226 ( 1.268 2.196 0.000) 2.536 23.259 ( -0.261 -0.452 0.000) 0.521 23.576 ( 0.115 0.200 0.000) 0.231 23.878 ( -0.492 -0.852 0.000) 0.984 24.101 ( 2.209 3.826 0.000) 4.417 24.170 ( -0.967 -1.675 0.000) 1.934 24.254 ( 2.047 3.545 0.000) 4.094 24.293 ( 0.213 0.369 0.000) 0.426 24.399 ( 0.260 0.450 0.000) 0.520 24.428 ( -0.635 -1.100 0.000) 1.270 24.621 ( 1.982 3.433 0.000) 3.964 24.662 ( -0.171 -0.295 0.000) 0.341 24.731 ( 0.714 1.236 0.000) 1.428 24.732 ( -2.141 -3.709 0.000) 4.283 24.783 ( -1.615 -2.798 0.000) 3.231 24.966 ( -0.387 -0.670 0.000) 0.773 24.971 ( -0.879 -1.522 0.000) 1.757 25.928 ( 0.113 0.195 0.000) 0.226 25.999 ( 1.692 2.930 0.000) 3.383 26.074 ( -1.533 -2.655 0.000) 3.065 26.618 ( -0.532 -0.922 0.000) 1.065 26.814 ( 0.485 0.839 0.000) 0.969 26.852 ( -1.242 -2.150 0.000) 2.483 27.084 ( 0.179 0.310 0.000) 0.358 27.205 ( 2.851 4.937 0.000) 5.701 27.331 ( -3.305 -5.725 0.000) 6.611 27.761 ( 0.129 0.223 0.000) 0.258 27.763 ( 0.091 0.158 0.000) 0.182 27.837 ( 0.133 0.230 0.000) 0.265 28.217 ( 2.793 4.837 0.000) 5.585 28.329 ( -2.666 -4.618 0.000) 5.333 28.830 ( 1.596 2.764 0.000) 3.192 28.895 ( -1.622 -2.809 0.000) 3.244 29.632 ( -0.151 -0.261 0.000) 0.302 29.879 ( 2.360 4.089 0.000) 4.721 29.908 ( -0.173 -0.299 0.000) 0.346 29.978 ( -2.256 -3.907 0.000) 4.512 30.192 ( 2.512 4.352 0.000) 5.025 30.203 ( 0.182 0.315 0.000) 0.364 30.295 ( -2.216 -3.838 0.000) 4.432 30.566 ( 0.063 0.110 0.000) 0.127 48.009 ( -0.128 -0.222 0.000) 0.256 48.140 ( 1.417 2.455 0.000) 2.835 48.205 ( -1.638 -2.837 0.000) 3.276 48.766 ( 0.116 0.201 0.000) 0.232 48.910 ( 0.019 0.033 0.000) 0.039 49.042 ( 2.467 4.273 0.000) 4.934 49.046 ( 1.309 2.268 0.000) 2.619 49.108 ( -1.656 -2.868 0.000) 3.312 49.140 ( -2.275 -3.941 0.000) 4.550 49.671 ( 0.272 0.472 0.000) 0.545 49.807 ( 1.583 2.741 0.000) 3.165 49.871 ( -1.555 -2.693 0.000) 3.110 81.822 ( 0.071 0.123 0.000) 0.142 81.940 ( 1.285 2.226 0.000) 2.570 81.989 ( -1.275 -2.208 0.000) 2.550 82.167 ( -0.269 -0.466 0.000) 0.538 82.889 ( 4.366 7.561 0.000) 8.731 83.072 ( -4.505 -7.803 0.000) 9.010 84.876 ( -0.063 -0.110 0.000) 0.127 84.910 ( -1.115 -1.931 0.000) 2.230 85.465 ( 0.397 0.687 0.000) 0.794 85.917 ( 5.410 9.370 0.000) 10.819 86.073 ( 2.227 3.857 0.000) 4.454 86.242 ( -6.406 -11.095 0.000) 12.812 90.123 ( 1.412 2.445 0.000) 2.823 90.141 ( 0.607 1.051 0.000) 1.213 90.186 ( -1.391 -2.410 0.000) 2.782 90.218 ( -0.458 -0.794 0.000) 0.916 91.037 ( 3.864 6.692 0.000) 7.727 91.166 ( -1.554 -2.692 0.000) 3.109 91.176 ( -0.521 -0.902 0.000) 1.041 91.282 ( -0.719 -1.245 0.000) 1.438 91.423 ( 2.548 4.414 0.000) 5.096 91.521 ( -2.082 -3.607 0.000) 4.165 93.387 ( 1.706 2.955 0.000) 3.412 93.519 ( -3.322 -5.754 0.000) 6.644 ======================= Grid point 55 (9/24) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.000 0.000 29.901) 29.901 0.538 ( 0.000 0.000 29.302) 29.302 0.538 ( 0.000 0.000 29.302) 29.302 2.000 ( 0.000 0.000 -16.074) 16.074 2.000 ( -0.000 0.000 -16.074) 16.074 2.354 ( 0.000 0.000 -27.266) 27.266 2.760 ( -0.000 0.000 7.668) 7.668 2.811 ( 0.000 0.000 3.241) 3.241 2.811 ( 0.000 0.000 3.241) 3.241 2.935 ( -0.000 0.000 1.128) 1.128 2.935 ( 0.000 0.000 1.128) 1.128 3.376 ( 0.000 0.000 1.677) 1.677 3.376 ( -0.000 0.000 1.677) 1.677 3.567 ( 0.000 -0.000 -11.799) 11.799 3.645 ( 0.000 0.000 10.858) 10.858 3.645 ( -0.000 0.000 10.858) 10.858 3.738 ( 0.000 0.000 14.978) 14.978 3.751 ( 0.000 -0.000 14.188) 14.188 3.864 ( -0.000 0.000 -10.859) 10.859 3.864 ( 0.000 -0.000 -10.859) 10.859 4.303 ( 0.000 0.000 -9.378) 9.378 4.303 ( 0.000 0.000 -9.378) 9.378 4.488 ( -0.000 0.000 2.067) 2.067 4.488 ( -0.000 0.000 2.067) 2.067 4.515 ( 0.000 0.000 2.144) 2.144 4.768 ( 0.000 0.000 -0.952) 0.952 4.768 ( 0.000 0.000 -0.952) 0.952 4.946 ( -0.000 0.000 7.327) 7.327 4.946 ( -0.000 0.000 7.327) 7.327 4.995 ( 0.000 0.000 -19.535) 19.535 5.195 ( 0.000 0.000 -1.308) 1.308 5.195 ( -0.000 0.000 -1.308) 1.308 5.635 ( 0.000 0.000 9.760) 9.760 5.887 ( 0.000 0.000 -0.022) 0.022 6.358 ( 0.000 0.000 -1.191) 1.191 6.358 ( 0.000 0.000 -1.191) 1.191 6.487 ( 0.000 0.000 6.297) 6.297 6.537 ( 0.000 0.000 -2.221) 2.221 6.537 ( 0.000 0.000 -2.221) 2.221 6.849 ( 0.000 -0.000 -2.129) 2.129 6.928 ( -0.000 0.000 2.141) 2.141 7.101 ( 0.000 0.000 -0.292) 0.292 7.152 ( 0.000 0.000 17.020) 17.020 7.152 ( -0.000 0.000 17.020) 17.020 7.341 ( 0.000 0.000 -15.751) 15.751 7.514 ( 0.000 0.000 -12.544) 12.544 7.944 ( 0.000 0.000 -1.385) 1.385 7.944 ( -0.000 0.000 -1.385) 1.385 8.162 ( 0.000 0.000 -3.081) 3.081 8.162 ( 0.000 0.000 -3.081) 3.081 8.449 ( 0.000 0.000 -10.314) 10.314 8.449 ( -0.000 0.000 -10.314) 10.314 8.781 ( -0.000 0.000 25.412) 25.412 9.114 ( 0.000 0.000 7.590) 7.590 9.118 ( 0.000 0.000 8.154) 8.154 9.118 ( 0.000 0.000 8.154) 8.154 9.325 ( 0.000 0.000 4.491) 4.491 9.325 ( -0.000 0.000 4.491) 4.491 9.775 ( 0.000 0.000 -7.329) 7.329 9.826 ( 0.000 -0.000 -4.393) 4.393 9.826 ( -0.000 0.000 -4.393) 4.393 9.967 ( -0.000 0.000 -11.573) 11.573 9.967 ( 0.000 0.000 -11.573) 11.573 10.123 ( 0.000 0.000 -13.680) 13.680 10.265 ( 0.000 0.000 10.187) 10.187 10.318 ( 0.000 0.000 -3.597) 3.597 10.318 ( -0.000 0.000 -3.597) 3.597 10.501 ( 0.000 0.000 2.076) 2.076 10.501 ( 0.000 -0.000 2.076) 2.076 10.571 ( 0.000 0.000 10.490) 10.490 10.929 ( 0.000 0.000 10.713) 10.713 10.929 ( -0.000 -0.000 10.713) 10.713 11.173 ( -0.000 0.000 -4.766) 4.766 11.195 ( 0.000 -0.000 -12.693) 12.693 11.581 ( 0.000 0.000 -6.561) 6.561 11.581 ( 0.000 0.000 -6.561) 6.561 12.037 ( 0.000 0.000 3.349) 3.349 12.089 ( 0.000 -0.000 0.731) 0.731 12.897 ( 0.000 0.000 7.515) 7.515 12.897 ( -0.000 0.000 7.515) 7.515 13.682 ( -0.000 0.000 -14.506) 14.506 13.682 ( 0.000 -0.000 -14.506) 14.506 14.152 ( 0.000 0.000 12.962) 12.962 14.152 ( 0.000 0.000 12.962) 12.962 14.472 ( 0.000 0.000 3.623) 3.623 14.622 ( 0.000 0.000 0.010) 0.010 14.622 ( 0.000 0.000 0.010) 0.010 14.793 ( 0.000 0.000 -4.939) 4.939 15.372 ( 0.000 -0.000 4.140) 4.140 15.613 ( 0.000 -0.000 -2.376) 2.376 16.457 ( 0.000 0.000 -4.380) 4.380 16.457 ( 0.000 0.000 -4.380) 4.380 16.501 ( 0.000 0.000 -3.551) 3.551 16.501 ( 0.000 0.000 -3.551) 3.551 16.982 ( 0.000 0.000 -0.311) 0.311 17.005 ( 0.000 0.000 -2.497) 2.497 17.216 ( 0.000 0.000 8.190) 8.190 17.474 ( 0.000 0.000 3.436) 3.436 17.474 ( -0.000 0.000 3.436) 3.436 17.551 ( 0.000 0.000 1.112) 1.112 17.551 ( 0.000 0.000 1.112) 1.112 17.672 ( 0.000 0.000 -4.674) 4.674 20.263 ( 0.000 0.000 3.620) 3.620 20.263 ( -0.000 0.000 3.620) 3.620 20.482 ( 0.000 0.000 -1.533) 1.533 20.482 ( 0.000 0.000 -1.533) 1.533 21.287 ( 0.000 0.000 0.487) 0.487 21.287 ( -0.000 0.000 0.487) 0.487 21.346 ( -0.000 0.000 -0.860) 0.860 21.346 ( 0.000 0.000 -0.860) 0.860 21.636 ( 0.000 -0.000 -0.232) 0.232 21.744 ( 0.000 0.000 -5.373) 5.373 22.053 ( 0.000 0.000 8.898) 8.898 22.414 ( 0.000 -0.000 -2.412) 2.412 22.841 ( 0.000 0.000 7.568) 7.568 22.841 ( 0.000 0.000 7.568) 7.568 23.470 ( 0.000 -0.000 -7.795) 7.795 23.470 ( 0.000 0.000 -7.795) 7.795 23.625 ( 0.000 0.000 3.455) 3.455 23.932 ( 0.000 -0.000 2.928) 2.928 23.932 ( 0.000 0.000 2.928) 2.928 23.981 ( 0.000 0.000 -5.264) 5.264 24.183 ( 0.000 0.000 -3.579) 3.579 24.183 ( -0.000 0.000 -3.579) 3.579 24.469 ( 0.000 0.000 1.070) 1.070 24.485 ( 0.000 0.000 2.881) 2.881 24.485 ( 0.000 0.000 2.881) 2.881 24.697 ( 0.000 0.000 -8.398) 8.398 24.779 ( 0.000 -0.000 -5.036) 5.036 24.779 ( 0.000 -0.000 -5.036) 5.036 25.380 ( 0.000 -0.000 15.146) 15.146 25.933 ( -0.000 0.000 2.677) 2.677 25.933 ( -0.000 0.000 2.677) 2.677 26.126 ( -0.000 0.000 -6.897) 6.897 26.150 ( 0.000 -0.000 -2.684) 2.684 26.150 ( -0.000 -0.000 -2.684) 2.684 26.843 ( 0.000 0.000 0.315) 0.315 26.882 ( 0.000 0.000 -0.703) 0.703 27.136 ( 0.000 0.000 8.142) 8.142 27.136 ( 0.000 0.000 8.142) 8.142 27.677 ( 0.000 0.000 -5.702) 5.702 27.677 ( -0.000 0.000 -5.702) 5.702 27.693 ( 0.000 0.000 -1.075) 1.075 27.725 ( 0.000 -0.000 -1.128) 1.128 28.084 ( 0.000 0.000 5.253) 5.253 28.465 ( 0.000 0.000 -7.255) 7.255 28.748 ( -0.000 0.000 7.309) 7.309 29.053 ( 0.000 0.000 -2.575) 2.575 29.673 ( 0.000 0.000 1.424) 1.424 29.673 ( 0.000 0.000 1.424) 1.424 29.870 ( -0.000 0.000 -4.667) 4.667 29.870 ( -0.000 0.000 -4.667) 4.667 30.221 ( 0.000 0.000 4.967) 4.967 30.221 ( 0.000 0.000 4.967) 4.967 30.447 ( 0.000 0.000 -1.836) 1.836 30.447 ( -0.000 0.000 -1.836) 1.836 48.073 ( -0.000 0.000 4.112) 4.112 48.073 ( 0.000 0.000 4.112) 4.112 48.569 ( 0.000 0.000 -12.026) 12.026 48.569 ( -0.000 0.000 -12.026) 12.026 48.654 ( 0.000 0.000 3.817) 3.817 49.081 ( 0.000 0.000 12.062) 12.062 49.081 ( 0.000 0.000 12.062) 12.062 49.113 ( -0.000 0.000 -11.314) 11.314 49.541 ( 0.000 0.000 10.964) 10.964 49.578 ( -0.000 0.000 -4.114) 4.114 49.578 ( 0.000 0.000 -4.114) 4.114 49.971 ( -0.000 0.000 -3.460) 3.460 81.840 ( 0.000 0.000 3.840) 3.840 81.840 ( 0.000 -0.000 3.840) 3.840 82.172 ( 0.000 0.000 -4.457) 4.457 82.172 ( -0.000 0.000 -4.457) 4.457 83.584 ( 0.000 0.000 4.754) 4.754 84.002 ( 0.000 0.000 -5.784) 5.784 85.089 ( 0.000 0.000 3.272) 3.272 85.112 ( 0.000 0.000 8.942) 8.942 85.112 ( 0.000 -0.000 8.942) 8.942 85.300 ( 0.000 -0.000 -2.178) 2.178 85.815 ( 0.000 0.000 -8.514) 8.514 85.815 ( 0.000 0.000 -8.514) 8.514 90.020 ( -0.000 0.000 1.645) 1.645 90.020 ( -0.000 0.000 1.645) 1.645 90.239 ( 0.000 0.000 -5.307) 5.307 90.239 ( 0.000 0.000 -5.307) 5.307 90.757 ( 0.000 -0.000 8.643) 8.643 90.757 ( 0.000 -0.000 8.643) 8.643 91.149 ( 0.000 0.000 2.416) 2.416 91.240 ( 0.000 0.000 -4.806) 4.806 91.240 ( 0.000 0.000 -4.806) 4.806 91.381 ( 0.000 0.000 -3.501) 3.501 93.161 ( 0.000 0.000 7.401) 7.401 93.721 ( 0.000 0.000 -6.603) 6.603 ======================= Grid point 56 (10/24) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 8.252 4.764 22.567) 24.496 0.720 ( 16.620 9.596 19.470) 27.338 0.822 ( 20.274 11.705 19.103) 30.215 2.055 ( 3.962 2.288 -16.948) 17.555 2.086 ( 7.334 4.234 -18.115) 19.997 2.367 ( 1.607 0.928 -25.003) 25.072 2.493 ( -14.050 -8.112 6.836) 17.605 2.819 ( -0.043 -0.025 3.005) 3.005 2.842 ( 1.977 1.141 3.107) 3.855 2.890 ( -3.115 -1.798 1.843) 4.041 3.087 ( 3.939 2.274 -0.027) 4.549 3.258 ( -9.012 -5.203 -5.930) 11.978 3.395 ( 0.046 0.026 3.213) 3.214 3.486 ( -4.252 -2.455 -0.168) 4.913 3.597 ( -4.700 -2.714 11.898) 13.077 3.674 ( 0.295 0.170 11.159) 11.164 3.722 ( 1.088 0.628 10.951) 11.023 3.794 ( 3.052 1.762 6.966) 7.807 3.863 ( -0.512 -0.295 -11.011) 11.027 3.927 ( 5.404 3.120 -7.029) 9.399 4.288 ( -1.651 -0.953 -5.301) 5.633 4.369 ( 3.596 2.076 -1.470) 4.404 4.474 ( -1.140 -0.658 1.823) 2.248 4.491 ( 0.887 0.512 0.403) 1.100 4.515 ( -0.226 -0.130 2.558) 2.571 4.724 ( -3.239 -1.870 -2.202) 4.340 4.770 ( 0.446 0.258 -2.711) 2.760 4.905 ( -0.747 -0.431 -4.275) 4.361 4.965 ( 0.961 0.555 6.924) 7.012 5.052 ( 2.852 1.647 -7.830) 8.494 5.180 ( -1.258 -0.726 -1.886) 2.380 5.189 ( -0.590 -0.341 -1.274) 1.445 5.629 ( -0.494 -0.285 9.180) 9.198 5.827 ( -5.033 -2.906 0.787) 5.865 6.304 ( -3.506 -2.024 -3.167) 5.140 6.332 ( -3.526 -2.036 -1.700) 4.412 6.483 ( -3.634 -2.098 -0.318) 4.208 6.498 ( -0.721 -0.417 -1.282) 1.529 6.554 ( 1.881 1.086 2.291) 3.157 6.819 ( -2.467 -1.424 2.256) 3.634 6.877 ( -2.683 -1.549 2.439) 3.942 7.065 ( -2.582 -1.491 -0.786) 3.083 7.117 ( -3.063 -1.768 13.362) 13.822 7.209 ( 4.091 2.362 6.623) 8.135 7.382 ( 3.748 2.164 -8.282) 9.345 7.529 ( 1.154 0.666 -9.678) 9.770 7.995 ( 4.027 2.325 -3.108) 5.592 8.001 ( 3.624 2.093 -3.071) 5.191 8.225 ( 5.336 3.081 -4.119) 7.411 8.247 ( 6.630 3.828 -4.411) 8.836 8.440 ( -0.410 -0.236 -7.124) 7.140 8.451 ( -0.196 -0.113 -9.480) 9.483 8.794 ( 1.915 1.106 21.020) 21.136 9.048 ( -5.539 -3.198 10.296) 12.121 9.141 ( 1.643 0.949 8.693) 8.897 9.150 ( 0.176 0.101 0.633) 0.665 9.338 ( 0.647 0.374 4.756) 4.815 9.476 ( 9.177 5.298 -4.524) 11.522 9.755 ( -2.784 -1.607 -6.077) 6.875 9.761 ( -3.314 -1.913 -3.945) 5.496 9.829 ( 0.505 0.292 -4.094) 4.136 9.968 ( -0.591 -0.341 -10.837) 10.859 10.004 ( 3.312 1.912 -10.344) 11.028 10.173 ( 3.587 2.071 -11.074) 11.823 10.236 ( -1.281 -0.740 6.508) 6.674 10.282 ( -2.770 -1.599 -1.183) 3.410 10.327 ( -0.237 -0.137 0.889) 0.930 10.482 ( -1.384 -0.799 0.806) 1.790 10.536 ( 2.938 1.696 0.074) 3.394 10.605 ( 2.718 1.569 8.069) 8.658 10.910 ( -1.497 -0.864 11.051) 11.186 10.927 ( -0.144 -0.083 11.067) 11.068 11.094 ( -9.729 -5.617 -0.655) 11.254 11.152 ( -1.715 -0.990 -3.327) 3.872 11.554 ( -5.222 -3.015 1.848) 6.307 11.567 ( -3.661 -2.113 -4.765) 6.369 11.583 ( -11.596 -6.695 15.348) 20.368 12.025 ( -5.330 -3.078 -1.239) 6.279 12.943 ( 3.441 1.987 6.485) 7.606 12.971 ( 3.482 2.011 8.366) 9.282 13.639 ( -3.905 -2.255 -13.542) 14.273 13.659 ( -1.703 -0.983 -13.633) 13.774 14.095 ( -0.019 -0.011 15.803) 15.803 14.155 ( 0.546 0.315 13.454) 13.469 14.277 ( -3.224 -1.862 11.343) 11.939 14.604 ( -1.760 -1.016 0.370) 2.066 14.638 ( -2.238 -1.292 -1.294) 2.890 14.794 ( 0.051 0.029 -5.648) 5.648 15.398 ( 2.114 1.221 3.475) 4.247 15.625 ( 0.975 0.563 -2.853) 3.067 16.458 ( -0.031 -0.018 -4.374) 4.374 16.488 ( -0.298 -0.172 -3.710) 3.726 16.494 ( -0.210 -0.121 -3.370) 3.379 16.587 ( 2.757 1.592 -11.525) 11.956 16.898 ( -6.590 -3.805 -0.614) 7.634 16.909 ( -5.609 -3.238 -0.799) 6.526 17.261 ( 5.054 2.918 5.889) 8.291 17.486 ( 1.024 0.591 3.550) 3.742 17.523 ( 2.877 1.661 4.272) 5.412 17.613 ( 4.420 2.552 0.646) 5.144 17.694 ( 2.062 1.190 -2.812) 3.684 17.791 ( 9.560 5.520 -7.762) 13.495 20.278 ( 1.253 0.723 3.372) 3.669 20.280 ( 1.391 0.803 3.516) 3.866 20.478 ( -0.411 -0.237 -1.291) 1.376 20.480 ( -0.255 -0.147 -1.255) 1.289 21.270 ( -1.413 -0.816 0.548) 1.721 21.335 ( 1.064 0.614 -0.685) 1.407 21.343 ( 1.439 0.831 -0.918) 1.899 21.375 ( 2.447 1.413 -0.421) 2.857 21.642 ( 0.556 0.321 -0.364) 0.738 21.744 ( -0.150 -0.086 -5.384) 5.387 21.952 ( -5.278 -3.047 7.978) 10.039 22.249 ( -11.374 -6.567 -1.166) 13.185 22.837 ( -0.390 -0.225 7.590) 7.603 22.981 ( 9.061 5.231 6.618) 12.380 23.342 ( -2.514 -1.451 6.264) 6.904 23.473 ( 0.254 0.147 -8.076) 8.082 23.838 ( 4.202 2.426 -8.883) 10.122 23.943 ( 1.022 0.590 2.831) 3.067 23.988 ( 0.834 0.481 -6.409) 6.481 24.065 ( 8.611 4.972 -3.201) 10.446 24.183 ( -0.056 -0.032 -3.217) 3.217 24.233 ( 4.774 2.756 -2.715) 6.144 24.444 ( -0.210 -0.121 0.264) 0.358 24.499 ( 1.394 0.805 2.231) 2.751 24.579 ( 5.106 2.948 -1.216) 6.020 24.687 ( -0.717 -0.414 -7.544) 7.589 24.775 ( -0.414 -0.239 -5.143) 5.166 24.789 ( 1.020 0.589 -4.899) 5.038 25.319 ( -5.295 -3.057 12.765) 14.154 25.488 ( -21.587 -12.463 17.780) 30.618 25.928 ( -0.416 -0.240 2.598) 2.642 25.948 ( 1.118 0.646 3.427) 3.662 26.141 ( -0.734 -0.424 -2.649) 2.782 26.532 ( 5.743 3.316 -17.471) 18.687 26.837 ( -0.435 -0.251 0.658) 0.828 26.918 ( 2.947 1.701 -1.730) 3.817 27.117 ( -2.170 -1.253 7.582) 7.985 27.139 ( 0.308 0.178 8.175) 8.182 27.619 ( -4.691 -2.709 -5.438) 7.676 27.697 ( 1.364 0.788 -3.138) 3.511 27.716 ( 1.512 0.873 -5.601) 5.867 27.733 ( 0.487 0.281 -1.117) 1.250 28.075 ( 0.707 0.408 7.899) 7.941 28.468 ( -0.163 -0.094 -6.334) 6.337 28.749 ( 0.270 0.156 6.386) 6.394 29.030 ( -1.969 -1.137 -2.435) 3.331 29.669 ( -0.283 -0.163 1.459) 1.495 29.697 ( 2.145 1.239 1.402) 2.847 29.870 ( 0.009 0.005 -4.724) 4.724 29.903 ( 2.290 1.322 -5.679) 6.264 30.211 ( -1.012 -0.584 5.116) 5.248 30.228 ( 0.591 0.341 5.090) 5.135 30.432 ( -1.366 -0.788 -1.773) 2.373 30.494 ( 2.205 1.273 -4.236) 4.942 48.070 ( -0.271 -0.156 4.166) 4.177 48.083 ( 0.824 0.475 4.078) 4.187 48.456 ( -6.158 -3.555 1.503) 7.268 48.570 ( 0.089 0.051 -12.116) 12.117 48.677 ( 2.223 1.284 -4.638) 5.301 49.083 ( 0.224 0.130 12.078) 12.080 49.087 ( -2.226 -1.285 -11.274) 11.563 49.107 ( 1.885 1.088 11.193) 11.402 49.500 ( -2.595 -1.498 8.087) 8.625 49.590 ( 0.629 0.363 -4.522) 4.580 49.622 ( 2.806 1.620 -1.306) 3.493 49.958 ( -1.161 -0.670 -3.446) 3.697 81.844 ( 0.301 0.174 3.863) 3.879 81.859 ( 1.706 0.985 4.184) 4.625 82.168 ( -0.336 -0.194 -4.217) 4.235 82.204 ( 1.627 0.939 -3.101) 3.626 82.992 ( -31.580 -18.233 35.676) 51.014 83.499 ( -7.203 -4.158 1.605) 8.470 85.039 ( -3.682 -2.126 3.830) 5.722 85.083 ( -1.645 -0.949 5.029) 5.375 85.357 ( 4.019 2.320 1.419) 4.853 85.410 ( 7.470 4.313 -0.852) 8.667 85.845 ( 2.791 1.611 -7.229) 7.915 86.283 ( 14.181 8.188 -27.155) 31.711 90.032 ( 1.065 0.615 1.712) 2.107 90.044 ( 2.071 1.196 1.937) 3.078 90.239 ( -0.057 -0.033 -4.506) 4.507 90.281 ( 0.431 0.249 -2.539) 2.587 90.769 ( 1.270 0.733 6.049) 6.224 90.973 ( 8.628 4.981 -10.197) 14.256 91.139 ( -3.644 -2.104 -7.225) 8.360 91.163 ( 0.341 0.197 -2.026) 2.063 91.286 ( 4.802 2.773 2.954) 6.283 91.737 ( 15.533 8.968 -2.731) 18.143 93.212 ( 2.262 1.306 -7.289) 7.743 93.685 ( -3.014 -1.740 -7.410) 8.187 ======================= Grid point 57 (11/24) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 3.203 1.849 18.527) 18.892 1.120 ( 18.286 10.558 7.522) 22.415 1.253 ( 16.969 9.797 10.907) 22.426 2.099 ( -0.859 -0.496 -17.918) 17.945 2.248 ( 1.037 0.599 -5.804) 5.926 2.311 ( 5.417 3.127 -15.923) 17.107 2.463 ( 5.676 3.277 -16.252) 17.524 2.735 ( -6.108 -3.526 1.976) 7.324 2.862 ( -0.187 -0.108 5.550) 5.555 2.903 ( 2.668 1.541 2.770) 4.143 3.025 ( -9.082 -5.243 -12.659) 16.439 3.080 ( -4.926 -2.844 -2.173) 6.090 3.365 ( -2.156 -1.245 8.662) 9.012 3.389 ( -3.889 -2.245 6.594) 7.978 3.503 ( -2.765 -1.596 9.435) 9.960 3.673 ( -0.456 -0.263 13.313) 13.324 3.739 ( -1.907 -1.101 -4.348) 4.874 3.838 ( 2.617 1.511 1.810) 3.523 3.884 ( 1.345 0.776 -1.479) 2.144 4.051 ( 4.173 2.409 3.704) 6.077 4.246 ( -0.701 -0.405 0.834) 1.162 4.365 ( -3.800 -2.194 5.528) 7.058 4.428 ( -2.873 -1.659 6.013) 6.867 4.501 ( -0.281 -0.162 5.126) 5.136 4.571 ( 5.413 3.125 -2.655) 6.791 4.669 ( -1.156 -0.668 -4.565) 4.757 4.811 ( 2.992 1.728 -7.301) 8.077 4.903 ( -0.426 -0.246 -4.570) 4.597 4.976 ( 0.197 0.114 4.599) 4.605 5.094 ( 0.393 0.227 -2.709) 2.747 5.157 ( -0.153 -0.088 -4.132) 4.136 5.172 ( -0.745 -0.430 -1.101) 1.397 5.611 ( -1.164 -0.672 8.087) 8.198 5.697 ( -6.037 -3.485 1.939) 7.235 6.202 ( -5.949 -3.435 -4.717) 8.333 6.252 ( -1.925 -1.111 -5.976) 6.376 6.365 ( -5.780 -3.337 -2.155) 7.014 6.506 ( 0.500 0.289 -3.535) 3.582 6.588 ( 0.635 0.367 5.539) 5.588 6.751 ( -3.095 -1.787 8.837) 9.532 6.857 ( 0.345 0.199 -1.789) 1.833 7.001 ( -2.765 -1.596 -0.232) 3.201 7.050 ( -2.440 -1.409 8.034) 8.514 7.308 ( 4.691 2.708 -1.521) 5.626 7.474 ( 3.330 1.923 -2.186) 4.423 7.556 ( 1.834 1.059 -5.778) 6.154 8.055 ( 1.386 0.800 -6.270) 6.471 8.108 ( 4.996 2.884 -3.209) 6.601 8.312 ( 0.068 0.039 -2.872) 2.873 8.379 ( 5.543 3.200 -6.924) 9.429 8.428 ( 0.027 0.016 -7.269) 7.269 8.547 ( 10.278 5.934 -3.489) 12.371 8.866 ( 2.475 1.429 8.726) 9.182 8.904 ( -5.757 -3.324 10.898) 12.765 9.116 ( -2.369 -1.368 -0.115) 2.738 9.179 ( 1.683 0.972 7.358) 7.611 9.333 ( -1.449 -0.837 0.096) 1.676 9.590 ( 1.434 0.828 -4.989) 5.256 9.648 ( -4.812 -2.778 1.521) 5.761 9.730 ( -1.398 -0.807 -3.435) 3.796 9.832 ( -1.763 -1.018 -1.017) 2.276 9.965 ( 2.073 1.197 -3.745) 4.444 10.068 ( 1.842 1.063 -2.879) 3.580 10.218 ( -2.538 -1.465 0.329) 2.949 10.230 ( -0.261 -0.151 5.674) 5.682 10.237 ( 1.464 0.845 -4.564) 4.867 10.311 ( -0.329 -0.190 -0.317) 0.495 10.466 ( 0.619 0.358 -3.042) 3.125 10.581 ( 0.124 0.071 1.436) 1.443 10.666 ( 1.315 0.759 -0.031) 1.518 10.855 ( -2.763 -1.595 13.074) 13.458 10.942 ( 3.490 2.015 9.689) 10.494 10.961 ( -0.308 -0.178 10.035) 10.042 11.109 ( -2.081 -1.202 -0.554) 2.466 11.378 ( -5.470 -3.158 4.411) 7.703 11.489 ( -4.257 -2.458 -5.792) 7.597 11.575 ( 1.422 0.821 -4.211) 4.520 11.888 ( -6.520 -3.764 -4.546) 8.795 13.011 ( 2.922 1.687 5.654) 6.584 13.066 ( 5.199 3.002 4.733) 7.645 13.516 ( -7.019 -4.053 -10.150) 12.989 13.618 ( -1.982 -1.144 -13.950) 14.137 14.178 ( 2.197 1.268 10.458) 10.761 14.202 ( 6.521 3.765 9.354) 12.008 14.253 ( 0.590 0.341 10.485) 10.507 14.523 ( -5.201 -3.003 3.676) 7.042 14.602 ( -0.536 -0.309 -0.574) 0.843 14.786 ( -1.113 -0.643 -4.640) 4.815 15.453 ( 2.649 1.530 1.591) 3.448 15.640 ( 0.095 0.055 -3.269) 3.271 16.450 ( -0.604 -0.349 -2.914) 2.996 16.484 ( 0.317 0.183 -3.996) 4.013 16.501 ( 0.720 0.416 -3.245) 3.349 16.602 ( -0.135 -0.078 -7.931) 7.933 16.764 ( -5.540 -3.199 -1.243) 6.517 16.780 ( -5.644 -3.259 -1.211) 6.629 17.371 ( 4.216 2.434 2.168) 5.329 17.521 ( 2.108 1.217 3.173) 3.999 17.591 ( 2.560 1.478 3.754) 4.778 17.687 ( 2.402 1.387 -0.984) 2.943 17.765 ( 3.662 2.114 2.237) 4.783 17.898 ( 1.892 1.092 -1.968) 2.940 20.312 ( 1.685 0.973 2.732) 3.354 20.319 ( 2.066 1.193 3.031) 3.857 20.464 ( -0.920 -0.531 -0.469) 1.161 20.472 ( -0.428 -0.247 -0.637) 0.806 21.235 ( -1.537 -0.888 0.556) 1.860 21.318 ( -1.091 -0.630 -1.535) 1.986 21.407 ( 2.817 1.627 0.497) 3.291 21.438 ( 3.353 1.936 1.328) 4.093 21.661 ( 1.272 0.734 -0.890) 1.717 21.734 ( -0.690 -0.398 -4.546) 4.615 21.861 ( -3.378 -1.950 2.909) 4.866 22.001 ( -10.526 -6.077 -0.323) 12.158 22.827 ( -0.481 -0.278 7.620) 7.640 23.152 ( 5.951 3.436 6.475) 9.441 23.323 ( 0.039 0.022 6.370) 6.370 23.478 ( 0.178 0.103 -8.641) 8.644 23.896 ( 2.052 1.185 -4.841) 5.389 23.972 ( 1.376 0.795 2.639) 3.081 24.018 ( 1.952 1.127 -9.688) 9.947 24.175 ( 0.185 0.107 -2.208) 2.218 24.198 ( 3.841 2.218 -0.838) 4.514 24.352 ( 4.722 2.727 1.061) 5.555 24.446 ( 0.327 0.189 0.424) 0.568 24.548 ( 2.837 1.638 -0.152) 3.279 24.649 ( 1.004 0.580 -1.610) 1.984 24.679 ( 0.204 0.118 -4.690) 4.696 24.758 ( -1.040 -0.601 -3.884) 4.065 24.821 ( 1.410 0.814 -4.806) 5.075 25.151 ( -9.129 -5.271 9.071) 13.907 25.184 ( -7.951 -4.591 8.535) 12.535 25.919 ( -0.323 -0.186 2.179) 2.211 25.974 ( 1.123 0.649 4.419) 4.605 26.120 ( -1.069 -0.617 -2.621) 2.897 26.566 ( -0.513 -0.296 -11.440) 11.455 26.830 ( -0.078 -0.045 1.698) 1.700 26.981 ( 1.281 0.739 -0.279) 1.505 27.064 ( -0.814 -0.470 4.442) 4.540 27.147 ( 0.374 0.216 8.246) 8.258 27.495 ( -6.173 -3.564 -5.095) 8.761 27.728 ( 1.331 0.768 -1.627) 2.238 27.742 ( 0.776 0.448 -6.277) 6.340 27.744 ( 0.554 0.320 -1.527) 1.656 28.123 ( 3.240 1.871 6.429) 7.438 28.442 ( -2.238 -1.292 -3.514) 4.362 28.768 ( 1.483 0.856 3.605) 3.991 28.975 ( -2.820 -1.628 -2.031) 3.837 29.662 ( -0.337 -0.194 1.541) 1.590 29.759 ( 3.202 1.849 1.260) 3.906 29.871 ( 0.056 0.032 -4.886) 4.886 29.953 ( 1.930 1.114 -5.625) 6.051 30.183 ( -1.198 -0.692 5.442) 5.615 30.243 ( 0.691 0.399 5.336) 5.395 30.392 ( -2.170 -1.253 -1.611) 2.979 30.524 ( 0.759 0.438 -3.384) 3.495 48.063 ( -0.345 -0.199 4.283) 4.302 48.108 ( 1.436 0.829 3.999) 4.329 48.348 ( -3.930 -2.269 2.812) 5.339 48.573 ( 0.113 0.065 -12.313) 12.314 48.737 ( 2.966 1.712 -8.008) 8.709 49.024 ( -3.265 -1.885 -11.312) 11.924 49.090 ( 0.292 0.169 12.270) 12.275 49.159 ( 2.734 1.578 11.332) 11.763 49.437 ( -3.055 -1.764 8.882) 9.556 49.602 ( 0.446 0.258 -4.343) 4.373 49.689 ( 3.209 1.853 -2.079) 4.249 49.922 ( -2.085 -1.204 -3.381) 4.151 81.852 ( 0.385 0.222 3.926) 3.951 81.911 ( 2.892 1.670 5.103) 6.099 82.158 ( -0.480 -0.277 -3.669) 3.711 82.185 ( -3.397 -1.961 5.759) 6.968 82.702 ( -1.048 -0.605 9.016) 9.097 83.306 ( -9.582 -5.532 -3.533) 11.615 84.956 ( -3.454 -1.994 4.729) 6.186 85.053 ( -1.078 -0.622 2.145) 2.480 85.440 ( 3.159 1.824 3.748) 5.230 85.546 ( 5.160 2.979 -0.002) 5.958 85.939 ( 5.815 3.357 -5.354) 8.588 86.376 ( -2.019 -1.166 -15.580) 15.754 90.064 ( 1.718 0.992 1.674) 2.596 90.097 ( 2.431 1.403 2.039) 3.470 90.234 ( -0.430 -0.249 -2.438) 2.489 90.267 ( -1.256 -0.725 0.080) 1.453 90.817 ( 3.073 1.774 0.817) 3.641 91.063 ( -2.337 -1.349 -13.607) 13.872 91.107 ( 3.161 1.825 -3.595) 5.123 91.158 ( -0.502 -0.290 -5.637) 5.667 91.435 ( 8.054 4.650 12.411) 15.509 91.896 ( 1.039 0.600 13.986) 14.037 93.215 ( -1.617 -0.934 -12.208) 12.350 93.610 ( -3.244 -1.873 -10.202) 10.868 ======================= Grid point 58 (12/24) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -1.973 -1.139 21.358) 21.479 1.454 ( 10.416 6.013 -0.967) 12.066 1.509 ( 5.543 3.200 3.055) 7.092 2.067 ( -1.259 -0.727 -13.534) 13.612 2.272 ( 1.816 1.048 -5.684) 6.058 2.474 ( 4.165 2.405 -14.254) 15.044 2.569 ( 4.642 2.680 -19.194) 19.928 2.628 ( -2.651 -1.531 1.107) 3.255 2.796 ( -6.583 -3.801 -8.893) 11.699 2.856 ( -2.890 -1.669 -0.741) 3.418 2.970 ( 2.100 1.212 3.038) 3.887 3.016 ( -0.650 -0.375 -1.208) 1.422 3.258 ( -4.257 -2.458 6.920) 8.489 3.398 ( 1.842 1.064 8.614) 8.873 3.490 ( 0.658 0.380 9.299) 9.329 3.666 ( -0.559 -0.323 4.031) 4.082 3.688 ( -1.388 -0.801 5.825) 6.042 3.818 ( -2.318 -1.338 -3.440) 4.358 3.931 ( 1.351 0.780 8.093) 8.242 4.074 ( -0.424 -0.245 6.801) 6.819 4.259 ( -3.755 -2.168 5.284) 6.835 4.289 ( 2.718 1.570 5.733) 6.536 4.379 ( -1.788 -1.032 3.908) 4.420 4.511 ( 1.072 0.619 6.785) 6.897 4.656 ( 0.403 0.233 -3.453) 3.484 4.684 ( 2.836 1.638 -2.142) 3.914 4.867 ( 1.556 0.899 -9.815) 9.979 4.882 ( -0.911 -0.526 1.762) 2.052 4.970 ( -0.680 -0.393 -0.401) 0.882 5.080 ( -0.688 -0.397 -2.433) 2.560 5.162 ( 0.020 0.011 -7.710) 7.710 5.168 ( 0.259 0.150 2.316) 2.336 5.580 ( -1.618 -0.934 3.954) 4.373 5.602 ( -1.812 -1.046 5.729) 6.099 6.107 ( -2.227 -1.286 -5.973) 6.503 6.233 ( 0.130 0.075 -7.991) 7.992 6.265 ( -2.919 -1.685 -3.545) 4.891 6.508 ( -0.229 -0.132 -6.011) 6.017 6.587 ( -0.186 -0.107 6.395) 6.398 6.699 ( -1.421 -0.820 10.186) 10.317 6.864 ( 0.134 0.078 -1.453) 1.461 6.966 ( -0.505 -0.291 0.367) 0.688 7.015 ( -0.742 -0.429 6.304) 6.362 7.406 ( 4.093 2.363 -3.756) 6.037 7.479 ( -2.141 -1.236 -5.667) 6.183 7.628 ( 3.078 1.777 -1.206) 3.753 8.048 ( -1.324 -0.764 -8.253) 8.393 8.178 ( 1.247 0.720 5.793) 5.969 8.339 ( 1.856 1.072 -1.376) 2.547 8.372 ( -0.426 -0.246 -13.412) 13.421 8.541 ( 3.520 2.032 -3.345) 5.264 8.734 ( 2.815 1.625 -0.532) 3.294 8.784 ( -1.171 -0.676 -0.204) 1.368 8.944 ( 4.892 2.824 -2.249) 6.080 9.075 ( -2.959 -1.708 -2.289) 4.113 9.201 ( -0.485 -0.280 6.487) 6.511 9.298 ( 0.279 0.161 -7.216) 7.224 9.501 ( -5.380 -3.106 6.050) 8.672 9.634 ( 0.588 0.339 3.312) 3.381 9.702 ( -0.683 -0.395 9.398) 9.431 9.780 ( -1.731 -1.000 -3.710) 4.214 10.038 ( 3.142 1.814 6.097) 7.095 10.093 ( 0.616 0.356 1.834) 1.967 10.167 ( -1.485 -0.857 3.296) 3.715 10.186 ( -2.567 -1.482 6.202) 6.874 10.270 ( 1.122 0.648 -1.814) 2.229 10.307 ( -0.474 -0.273 -3.633) 3.674 10.513 ( 2.610 1.507 -5.380) 6.166 10.565 ( -0.522 -0.301 2.758) 2.823 10.633 ( -2.655 -1.533 -1.097) 3.257 10.867 ( 1.806 1.043 10.085) 10.299 10.975 ( 0.770 0.445 7.689) 7.741 11.066 ( -0.204 -0.118 2.518) 2.529 11.089 ( 6.984 4.032 1.246) 8.160 11.252 ( -6.339 -3.660 0.124) 7.321 11.390 ( -3.667 -2.117 -4.119) 5.908 11.630 ( 2.999 1.732 -5.287) 6.320 11.762 ( -4.479 -2.586 -5.812) 7.780 13.068 ( 1.762 1.017 3.106) 3.714 13.189 ( 5.940 3.429 0.157) 6.861 13.353 ( -7.291 -4.210 -5.485) 10.048 13.582 ( -1.008 -0.582 -14.302) 14.350 14.200 ( 0.129 0.074 7.866) 7.867 14.290 ( 3.888 2.244 10.050) 11.007 14.351 ( 3.560 2.055 2.622) 4.876 14.407 ( -4.622 -2.668 8.064) 9.670 14.614 ( 1.457 0.841 1.673) 2.373 14.740 ( -2.595 -1.498 -1.702) 3.446 15.503 ( 1.566 0.904 -0.698) 1.938 15.629 ( -0.732 -0.423 -3.038) 3.154 16.441 ( -0.182 -0.105 -1.656) 1.670 16.499 ( 0.681 0.393 -4.000) 4.076 16.525 ( 1.345 0.776 -3.521) 3.848 16.601 ( 0.060 0.035 -6.324) 6.324 16.664 ( -3.172 -1.832 -1.564) 3.983 16.682 ( -2.775 -1.602 -1.466) 3.524 17.433 ( 1.379 0.796 0.744) 1.757 17.572 ( 2.257 1.303 3.225) 4.147 17.611 ( -0.587 -0.339 0.072) 0.681 17.735 ( 1.618 0.934 4.953) 5.293 17.816 ( 0.875 0.505 0.657) 1.205 17.920 ( 0.501 0.289 0.670) 0.885 20.342 ( 0.855 0.494 2.031) 2.258 20.362 ( 1.478 0.853 2.047) 2.665 20.441 ( -0.972 -0.561 0.799) 1.378 20.463 ( -0.281 -0.162 -0.037) 0.327 21.210 ( -0.639 -0.369 0.489) 0.885 21.298 ( -0.573 -0.331 -1.770) 1.889 21.449 ( 0.947 0.547 1.802) 2.107 21.520 ( 3.343 1.930 1.977) 4.337 21.692 ( 0.885 0.511 -1.717) 1.998 21.721 ( -0.153 -0.088 -4.383) 4.386 21.798 ( -2.169 -1.252 0.732) 2.609 21.817 ( -5.331 -3.078 0.620) 6.187 22.818 ( -0.210 -0.121 7.638) 7.642 23.234 ( 1.657 0.957 6.547) 6.821 23.330 ( 0.358 0.207 6.072) 6.086 23.480 ( 0.028 0.016 -9.042) 9.042 23.930 ( 0.918 0.530 -4.198) 4.330 23.996 ( 0.659 0.381 2.315) 2.437 24.060 ( 1.358 0.784 -13.320) 13.412 24.171 ( -0.107 -0.062 -1.553) 1.558 24.270 ( 1.947 1.124 2.094) 3.072 24.399 ( 0.232 0.134 2.632) 2.646 24.479 ( 1.830 1.056 2.826) 3.528 24.602 ( 1.969 1.137 -1.526) 2.739 24.649 ( -1.557 -0.899 -1.148) 2.133 24.694 ( 1.898 1.096 -2.796) 3.552 24.737 ( -0.976 -0.563 -0.743) 1.349 24.830 ( -0.274 -0.158 -1.615) 1.646 25.025 ( -3.034 -1.752 2.592) 4.358 25.043 ( -3.731 -2.154 1.974) 4.739 25.915 ( -0.062 -0.036 1.759) 1.760 25.992 ( 0.452 0.261 4.895) 4.923 26.101 ( -0.552 -0.319 -2.657) 2.733 26.550 ( -0.499 -0.288 -8.578) 8.597 26.835 ( 0.409 0.236 3.095) 3.130 26.950 ( -1.802 -1.041 4.920) 5.342 27.112 ( 2.647 1.528 -2.129) 3.725 27.156 ( 0.443 0.256 7.903) 7.920 27.373 ( -4.019 -2.321 -4.662) 6.578 27.748 ( 0.363 0.210 -1.165) 1.238 27.753 ( 0.384 0.222 -1.623) 1.683 27.754 ( 0.263 0.152 -5.778) 5.786 28.195 ( 2.581 1.490 4.162) 5.119 28.384 ( -2.290 -1.322 -0.887) 2.788 28.804 ( 1.425 0.823 1.243) 2.063 28.919 ( -1.877 -1.084 -1.454) 2.610 29.656 ( -0.145 -0.084 1.611) 1.619 29.821 ( 1.985 1.146 0.938) 2.477 29.871 ( 0.012 0.007 -5.004) 5.004 29.975 ( 0.070 0.041 -4.405) 4.406 30.171 ( 0.018 0.010 4.586) 4.586 30.254 ( 0.292 0.169 5.489) 5.499 30.348 ( -1.363 -0.787 -1.390) 2.100 30.534 ( 0.200 0.116 -2.841) 2.850 48.057 ( -0.153 -0.088 4.365) 4.369 48.139 ( 1.083 0.625 3.945) 4.139 48.283 ( -1.848 -1.067 2.861) 3.569 48.575 ( 0.050 0.029 -12.464) 12.464 48.796 ( 1.972 1.138 -9.553) 9.820 48.959 ( -2.173 -1.254 -11.147) 11.426 49.095 ( 0.125 0.072 12.371) 12.372 49.217 ( 2.108 1.217 11.297) 11.556 49.375 ( -2.174 -1.255 9.688) 10.008 49.609 ( 0.177 0.102 -4.252) 4.256 49.754 ( 2.277 1.315 -2.768) 3.818 49.874 ( -1.874 -1.082 -3.222) 3.881 81.858 ( 0.177 0.102 3.982) 3.987 81.978 ( 2.853 1.647 6.378) 7.178 82.099 ( -3.455 -1.995 7.907) 8.857 82.150 ( -0.236 -0.136 -3.184) 3.196 82.763 ( 3.830 2.212 -1.646) 4.719 83.119 ( -6.150 -3.551 -6.324) 9.509 84.901 ( -1.353 -0.781 5.163) 5.394 85.037 ( -0.377 -0.218 0.881) 0.982 85.487 ( 1.088 0.628 4.185) 4.370 85.625 ( 1.852 1.069 0.525) 2.202 86.092 ( 7.698 4.444 -6.167) 10.819 86.270 ( -6.712 -3.875 -9.610) 12.346 90.100 ( 1.207 0.697 1.463) 2.021 90.138 ( 1.058 0.611 1.336) 1.810 90.224 ( -0.232 -0.134 -0.183) 0.325 90.238 ( -1.129 -0.652 0.922) 1.596 90.897 ( 3.920 2.263 -4.159) 6.147 90.991 ( -3.696 -2.134 -9.151) 10.097 91.150 ( -0.197 -0.114 -6.759) 6.763 91.163 ( 1.404 0.810 -4.757) 5.026 91.601 ( 5.811 3.355 17.519) 18.760 91.857 ( -3.047 -1.759 19.713) 20.024 93.174 ( -1.377 -0.795 -10.278) 10.400 93.560 ( -1.181 -0.682 -13.303) 13.373 ======================= Grid point 63 (13/24) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 7.515 13.016 15.643) 21.693 0.981 ( 9.195 15.926 8.911) 20.435 1.104 ( 9.302 16.111 16.186) 24.659 2.112 ( 1.257 2.177 -19.531) 19.692 2.184 ( 1.295 2.242 -15.283) 15.500 2.350 ( -0.048 -0.084 -0.615) 0.623 2.425 ( 3.139 5.437 -19.775) 20.748 2.764 ( -3.660 -6.340 1.428) 7.458 2.867 ( 0.053 0.092 4.184) 4.185 2.883 ( 1.622 2.810 3.410) 4.707 3.090 ( -1.978 -3.425 -1.406) 4.197 3.096 ( -6.065 -10.505 -11.530) 16.735 3.403 ( 0.222 0.384 8.696) 8.707 3.404 ( -2.642 -4.577 4.880) 7.193 3.512 ( -2.379 -4.120 10.372) 11.411 3.646 ( -1.597 -2.766 7.848) 8.473 3.776 ( -0.776 -1.344 2.109) 2.619 3.812 ( -0.027 -0.048 -0.258) 0.263 3.874 ( 2.273 3.936 -2.322) 5.104 4.003 ( 2.943 5.097 5.338) 7.945 4.284 ( -0.563 -0.975 -2.298) 2.559 4.398 ( 0.524 0.908 7.835) 7.905 4.463 ( -0.465 -0.805 0.724) 1.178 4.489 ( -0.298 -0.516 1.139) 1.286 4.514 ( 0.330 0.572 2.722) 2.801 4.682 ( -0.505 -0.875 -5.798) 5.886 4.808 ( 1.454 2.519 -3.457) 4.518 4.867 ( -0.904 -1.567 -6.037) 6.302 5.005 ( 0.854 1.479 5.860) 6.103 5.082 ( 0.828 1.435 -6.371) 6.583 5.166 ( -0.984 -1.705 -0.697) 2.088 5.171 ( -0.011 -0.020 -2.785) 2.785 5.617 ( -0.580 -1.004 8.418) 8.497 5.737 ( -3.354 -5.809 1.677) 6.914 6.241 ( -1.901 -3.293 -5.656) 6.816 6.261 ( -3.371 -5.839 -2.537) 7.204 6.444 ( -1.810 -3.136 -2.076) 4.174 6.444 ( -1.982 -3.433 -4.519) 6.011 6.584 ( 0.871 1.508 5.502) 5.771 6.762 ( -2.068 -3.582 7.539) 8.599 6.871 ( 0.579 1.003 -0.859) 1.442 7.021 ( -1.552 -2.689 -0.881) 3.227 7.086 ( -1.292 -2.237 13.626) 13.869 7.230 ( 0.966 1.674 -5.003) 5.364 7.492 ( 4.621 8.004 -0.367) 9.249 7.531 ( -0.416 -0.720 -8.387) 8.428 8.051 ( 1.464 2.536 -5.838) 6.531 8.074 ( 3.078 5.332 -3.289) 6.980 8.314 ( 2.032 3.520 -5.010) 6.451 8.356 ( 2.715 4.703 -8.267) 9.891 8.447 ( 2.397 4.152 -2.033) 5.208 8.459 ( 1.507 2.611 -5.351) 6.142 8.843 ( 2.290 3.967 12.920) 13.708 8.941 ( -4.670 -8.089 8.297) 12.493 9.143 ( 0.634 1.099 10.498) 10.575 9.163 ( -0.406 -0.704 -1.058) 1.334 9.339 ( -0.484 -0.839 2.964) 3.118 9.566 ( 1.308 2.265 -5.160) 5.785 9.688 ( -2.499 -4.329 -1.362) 5.181 9.740 ( -0.655 -1.134 -7.004) 7.125 9.816 ( -0.312 -0.541 -1.702) 1.813 10.010 ( 0.739 1.281 -2.433) 2.847 10.019 ( 1.003 1.737 -6.447) 6.751 10.212 ( 0.629 1.090 -8.291) 8.386 10.222 ( -0.144 -0.249 4.854) 4.863 10.284 ( 1.220 2.114 -2.307) 3.359 10.294 ( -1.763 -3.053 3.879) 5.241 10.469 ( -0.007 -0.013 -1.372) 1.372 10.584 ( 1.222 2.117 -2.638) 3.596 10.637 ( 0.587 1.017 5.003) 5.139 10.874 ( -2.705 -4.686 13.124) 14.196 10.915 ( 1.029 1.782 10.396) 10.598 10.986 ( -1.323 -2.292 10.939) 11.254 11.117 ( -1.345 -2.329 -1.599) 3.129 11.409 ( -3.657 -6.334 6.973) 10.105 11.541 ( -1.168 -2.023 -5.692) 6.153 11.544 ( -0.311 -0.539 -4.008) 4.056 11.926 ( -3.846 -6.661 -3.781) 8.570 13.013 ( 1.689 2.925 8.015) 8.698 13.017 ( 2.811 4.869 4.108) 6.963 13.558 ( -3.556 -6.159 -11.268) 13.325 13.627 ( -1.337 -2.315 -13.908) 14.163 14.159 ( 3.816 6.610 9.808) 12.428 14.167 ( 0.821 1.421 12.789) 12.894 14.261 ( 0.130 0.224 10.552) 10.555 14.572 ( -2.707 -4.689 1.553) 5.633 14.582 ( -0.846 -1.466 0.181) 1.702 14.790 ( -0.370 -0.642 -5.226) 5.278 15.437 ( 1.554 2.692 2.189) 3.802 15.641 ( 0.401 0.694 -3.378) 3.472 16.457 ( -0.039 -0.068 -3.773) 3.774 16.487 ( -0.049 -0.084 -3.517) 3.518 16.489 ( 0.017 0.030 -3.308) 3.308 16.597 ( -0.259 -0.448 -8.429) 8.444 16.796 ( -3.510 -6.079 -0.950) 7.084 16.813 ( -3.441 -5.960 -1.142) 6.977 17.360 ( 3.565 6.176 2.481) 7.550 17.512 ( 1.163 2.015 3.475) 4.182 17.578 ( 2.227 3.857 4.666) 6.450 17.658 ( 0.908 1.573 -1.805) 2.560 17.743 ( 2.056 3.561 1.523) 4.385 17.883 ( 1.675 2.902 -3.310) 4.710 20.302 ( 0.987 1.710 2.915) 3.520 20.307 ( 1.139 1.972 3.230) 3.952 20.470 ( -0.372 -0.644 -0.895) 1.164 20.473 ( -0.309 -0.536 -0.662) 0.906 21.251 ( -0.760 -1.316 0.448) 1.585 21.305 ( -0.922 -1.597 -0.957) 2.077 21.410 ( 1.436 2.487 -0.057) 2.873 21.411 ( 2.182 3.779 0.800) 4.437 21.655 ( 0.625 1.083 -0.707) 1.437 21.737 ( -0.395 -0.685 -4.733) 4.799 21.882 ( -2.112 -3.658 4.005) 5.821 22.064 ( -6.509 -11.275 -0.537) 13.030 22.828 ( -0.344 -0.596 7.628) 7.659 23.116 ( 4.275 7.405 6.455) 10.714 23.323 ( -0.209 -0.362 6.460) 6.473 23.477 ( 0.154 0.267 -8.522) 8.528 23.880 ( 1.138 1.970 -4.640) 5.168 23.959 ( 0.718 1.243 -1.448) 2.039 24.040 ( 2.254 3.905 -3.401) 5.648 24.091 ( -0.302 -0.522 -4.705) 4.744 24.264 ( 2.572 4.455 0.537) 5.172 24.289 ( 2.463 4.267 -1.946) 5.297 24.456 ( 0.549 0.951 -1.072) 1.535 24.522 ( 1.057 1.830 1.650) 2.681 24.639 ( 1.197 2.073 -1.270) 2.710 24.676 ( -0.341 -0.591 -6.029) 6.067 24.786 ( 0.637 1.103 -5.927) 6.063 24.795 ( 0.162 0.281 -3.779) 3.793 25.217 ( -4.181 -7.242 9.272) 12.487 25.221 ( -7.288 -12.623 12.569) 19.247 25.936 ( 0.240 0.416 1.682) 1.749 25.958 ( 0.529 0.917 4.679) 4.797 26.124 ( -0.768 -1.331 -2.586) 3.008 26.567 ( 0.040 0.069 -12.730) 12.730 26.831 ( -0.142 -0.247 1.358) 1.388 26.968 ( 1.576 2.731 -1.768) 3.615 27.073 ( -1.452 -2.514 6.418) 7.045 27.146 ( 0.287 0.497 8.202) 8.222 27.528 ( -3.618 -6.267 -5.172) 8.895 27.721 ( 0.843 1.460 -1.732) 2.417 27.738 ( 0.664 1.149 -7.143) 7.265 27.741 ( 0.298 0.517 -0.839) 1.029 28.106 ( 1.657 2.870 7.041) 7.782 28.453 ( -0.995 -1.723 -4.359) 4.792 28.760 ( 0.686 1.187 4.425) 4.633 28.991 ( -1.590 -2.754 -2.166) 3.848 29.663 ( -0.263 -0.455 1.515) 1.603 29.742 ( 1.889 3.272 1.316) 4.001 29.866 ( -0.116 -0.200 -4.711) 4.717 29.945 ( 1.427 2.472 -5.834) 6.495 30.192 ( -0.727 -1.259 5.420) 5.611 30.239 ( 0.437 0.756 5.227) 5.300 30.402 ( -1.314 -2.275 -1.612) 3.082 30.520 ( 0.619 1.072 -3.646) 3.850 48.065 ( -0.238 -0.413 4.271) 4.297 48.101 ( 0.817 1.415 3.997) 4.318 48.372 ( -2.596 -4.496 2.776) 5.887 48.572 ( 0.075 0.130 -12.269) 12.270 48.720 ( 1.719 2.977 -7.357) 8.121 49.042 ( -1.856 -3.215 -11.292) 11.887 49.088 ( 0.192 0.332 12.256) 12.262 49.143 ( 1.475 2.554 11.252) 11.632 49.454 ( -1.763 -3.053 8.590) 9.285 49.602 ( 0.426 0.738 -4.530) 4.609 49.668 ( 1.747 3.026 -1.677) 3.876 49.933 ( -1.096 -1.899 -3.406) 4.051 81.850 ( 0.251 0.435 3.939) 3.970 81.894 ( 1.496 2.590 4.775) 5.635 82.161 ( -0.298 -0.516 -3.775) 3.822 82.203 ( -1.236 -2.141 3.404) 4.207 82.721 ( -3.368 -5.834 15.300) 16.718 83.361 ( -5.513 -9.548 -2.315) 11.266 84.994 ( -1.851 -3.205 3.371) 5.006 85.033 ( -1.468 -2.543 4.421) 5.307 85.420 ( 2.114 3.661 3.408) 5.430 85.540 ( 4.707 8.152 -0.959) 9.462 85.892 ( 2.003 3.470 -5.349) 6.683 86.381 ( 0.215 0.373 -18.016) 18.021 90.055 ( 0.985 1.707 1.711) 2.610 90.082 ( 1.437 2.489 2.088) 3.552 90.237 ( -0.138 -0.239 -3.075) 3.087 90.273 ( -0.676 -1.171 -0.336) 1.394 90.802 ( 1.613 2.794 2.260) 3.938 91.069 ( 1.384 2.398 -14.885) 15.141 91.103 ( 0.141 0.244 -3.538) 3.549 91.157 ( -0.525 -0.910 -4.434) 4.557 91.387 ( 4.286 7.423 10.363) 13.449 91.882 ( 2.125 3.681 10.508) 11.335 93.229 ( -0.051 -0.088 -12.809) 12.810 93.620 ( -2.751 -4.764 -8.666) 10.264 ======================= Grid point 64 (14/24) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -9.966 13.504 14.042) 21.883 1.275 ( 16.353 -0.352 4.215) 16.892 1.432 ( 10.922 14.669 6.725) 19.486 2.108 ( -2.062 0.499 -17.486) 17.614 2.213 ( 3.754 -0.034 -4.790) 6.086 2.470 ( 2.872 8.441 -18.321) 20.375 2.545 ( 3.491 4.360 -15.561) 16.533 2.632 ( -2.906 -5.961 0.339) 6.640 2.837 ( -3.272 -4.182 6.695) 8.545 2.901 ( -5.471 -4.668 -13.727) 15.497 2.943 ( 2.113 1.370 3.240) 4.103 3.008 ( -1.198 -4.126 -1.768) 4.646 3.331 ( -4.321 -0.006 7.563) 8.711 3.398 ( -0.240 -0.001 3.413) 3.422 3.474 ( 0.003 0.563 12.807) 12.819 3.614 ( 3.415 -6.848 4.668) 8.964 3.699 ( -4.587 -0.899 1.300) 4.852 3.776 ( 0.881 -6.307 -1.444) 6.530 3.975 ( 0.275 5.881 8.004) 9.936 4.053 ( 1.857 -1.638 11.088) 11.361 4.263 ( -4.585 2.246 4.502) 6.806 4.358 ( -0.822 -3.013 5.551) 6.369 4.432 ( 0.546 -0.690 3.513) 3.622 4.484 ( -3.113 4.680 1.944) 5.948 4.607 ( 5.733 0.674 -1.551) 5.977 4.685 ( 0.972 2.219 -2.476) 3.464 4.842 ( 0.752 -0.362 -6.994) 7.043 4.866 ( 1.636 -0.244 -2.417) 2.929 5.002 ( -1.980 0.681 1.454) 2.549 5.086 ( -0.963 -1.276 -7.249) 7.423 5.143 ( 0.767 -1.454 2.297) 2.825 5.183 ( -0.105 1.938 -3.328) 3.852 5.594 ( -0.888 -1.023 7.330) 7.454 5.634 ( -3.525 -2.794 2.956) 5.383 6.144 ( -4.021 -2.464 -4.122) 6.264 6.212 ( 0.989 -2.162 -7.032) 7.423 6.322 ( -6.170 -1.399 -5.835) 8.606 6.435 ( 3.305 -6.736 -6.438) 9.887 6.597 ( -0.343 0.554 6.965) 6.995 6.703 ( -1.369 -2.676 8.921) 9.414 6.898 ( -0.288 3.042 -1.189) 3.279 6.978 ( -1.237 -0.845 -0.263) 1.521 7.039 ( -2.274 -0.077 11.877) 12.093 7.299 ( 6.176 -0.826 -6.574) 9.058 7.491 ( -2.070 -2.643 -8.557) 9.192 7.650 ( 3.544 9.017 0.691) 9.713 8.061 ( -1.425 -1.227 -8.634) 8.836 8.179 ( 2.883 4.911 -1.640) 5.926 8.332 ( -0.264 1.205 0.717) 1.427 8.366 ( 0.301 -1.706 -8.296) 8.475 8.546 ( 1.210 9.335 -4.051) 10.248 8.656 ( 9.940 4.678 -3.233) 11.451 8.790 ( -2.837 -4.918 3.637) 6.743 8.912 ( 2.081 1.248 2.813) 3.715 9.105 ( -3.672 -0.819 -1.722) 4.138 9.172 ( 1.316 -3.035 3.502) 4.817 9.320 ( -0.920 1.296 2.899) 3.306 9.534 ( -3.627 -5.750 0.055) 6.798 9.627 ( -0.497 0.468 -0.087) 0.688 9.728 ( 0.938 -2.120 -4.887) 5.409 9.791 ( -3.049 0.246 6.537) 7.218 10.019 ( 0.378 2.193 3.509) 4.155 10.065 ( 2.868 -0.913 3.533) 4.641 10.202 ( -2.534 0.519 0.285) 2.602 10.219 ( -2.899 -1.643 5.186) 6.164 10.251 ( 2.194 0.881 -1.928) 3.050 10.322 ( 0.011 1.243 -2.389) 2.693 10.499 ( 1.715 2.964 -5.106) 6.148 10.580 ( -1.747 -0.364 1.112) 2.102 10.630 ( -0.011 -3.513 0.256) 3.523 10.852 ( 1.597 1.841 11.327) 11.586 10.978 ( 0.175 1.465 8.627) 8.752 11.001 ( 5.365 3.391 5.742) 8.559 11.075 ( -1.034 -2.032 0.683) 2.380 11.284 ( -4.532 -6.691 0.172) 8.083 11.473 ( -5.085 0.714 -4.970) 7.146 11.579 ( 3.847 0.077 -4.433) 5.870 11.798 ( -4.276 -5.364 -5.778) 8.969 13.070 ( 1.122 4.272 3.891) 5.887 13.126 ( 5.229 3.241 1.624) 6.363 13.417 ( -5.983 -6.090 -7.312) 11.240 13.581 ( -1.035 -2.562 -14.284) 14.548 14.206 ( 0.945 2.160 9.096) 9.396 14.256 ( 2.055 1.552 8.909) 9.273 14.327 ( 3.935 6.086 6.077) 9.457 14.468 ( -4.796 -2.127 6.011) 7.979 14.575 ( 1.973 -1.929 1.131) 2.982 14.757 ( -2.007 -2.673 -2.412) 4.122 15.491 ( 1.802 2.498 -0.129) 3.083 15.638 ( -0.837 -0.596 -3.584) 3.729 16.457 ( -0.729 1.270 -2.302) 2.728 16.488 ( 0.455 0.015 -4.262) 4.286 16.502 ( 1.613 -0.229 -3.122) 3.521 16.592 ( 0.455 -0.455 -5.668) 5.705 16.685 ( -3.363 -4.832 -1.520) 6.080 16.707 ( -3.200 -3.876 -1.495) 5.244 17.458 ( 0.914 5.866 0.263) 5.943 17.558 ( 1.713 2.501 2.862) 4.169 17.632 ( -0.980 2.556 2.139) 3.474 17.695 ( 3.749 -0.207 1.818) 4.172 17.798 ( 1.470 0.837 2.936) 3.388 17.910 ( 0.512 0.075 -0.510) 0.727 20.335 ( 1.005 1.331 2.199) 2.760 20.349 ( 1.511 1.857 2.408) 3.396 20.452 ( -1.022 -0.658 0.185) 1.230 20.462 ( -0.170 -0.782 0.019) 0.801 21.223 ( -1.315 -0.450 0.266) 1.415 21.280 ( 0.316 -2.523 -1.177) 2.802 21.451 ( 0.745 2.051 1.151) 2.467 21.494 ( 3.163 3.995 1.730) 5.382 21.684 ( 1.217 1.613 -1.346) 2.428 21.722 ( -0.437 -0.848 -4.007) 4.119 21.818 ( -2.166 -2.415 0.938) 3.376 21.862 ( -6.166 -7.911 0.281) 10.034 22.817 ( -0.207 -0.595 7.674) 7.700 23.227 ( 2.244 3.921 6.422) 7.851 23.324 ( 0.335 0.030 6.222) 6.231 23.481 ( 0.026 0.182 -9.035) 9.037 23.914 ( 1.276 0.688 -1.298) 1.946 23.988 ( 1.143 1.193 -3.924) 4.258 24.059 ( -1.033 0.337 -8.196) 8.268 24.150 ( 4.490 2.692 -1.599) 5.474 24.297 ( -2.213 4.263 1.122) 4.932 24.386 ( 4.061 1.102 1.209) 4.378 24.461 ( -0.433 0.307 0.936) 1.076 24.573 ( 2.759 1.580 0.017) 3.180 24.657 ( 0.112 0.430 -0.540) 0.699 24.676 ( 0.862 0.204 -3.583) 3.691 24.770 ( -2.579 0.749 -2.047) 3.376 24.819 ( 1.190 -0.925 -2.978) 3.337 25.040 ( -3.494 -5.942 4.284) 8.115 25.074 ( -4.632 -6.015 4.735) 8.948 25.940 ( -1.059 2.067 1.355) 2.690 25.981 ( 1.261 0.223 4.790) 4.958 26.096 ( -0.547 -1.939 -2.509) 3.218 26.555 ( -0.569 -0.728 -9.116) 9.163 26.833 ( 0.327 0.492 2.627) 2.692 26.960 ( -1.781 -2.778 4.801) 5.826 27.091 ( 2.645 3.339 -1.741) 4.601 27.156 ( 0.188 0.581 8.214) 8.236 27.402 ( -4.154 -5.786 -4.712) 8.540 27.745 ( 0.601 0.831 -0.988) 1.424 27.750 ( 0.320 0.398 -0.598) 0.787 27.755 ( 0.262 0.731 -7.231) 7.273 28.175 ( 2.636 3.436 4.798) 6.464 28.402 ( -2.238 -2.931 -1.564) 4.005 28.793 ( 1.393 1.750 1.814) 2.879 28.934 ( -1.982 -2.516 -1.648) 3.602 29.655 ( -0.122 -0.503 1.588) 1.670 29.811 ( 2.173 3.504 1.006) 4.244 29.864 ( 0.218 -0.528 -4.755) 4.790 29.976 ( 0.160 0.568 -4.772) 4.809 30.177 ( -0.181 0.495 4.664) 4.694 30.253 ( 0.371 0.568 5.351) 5.394 30.352 ( -1.476 -2.828 -1.295) 3.443 30.533 ( 0.234 0.468 -2.972) 3.018 48.057 ( -0.160 -0.395 4.391) 4.412 48.134 ( 1.130 1.845 3.862) 4.426 48.296 ( -2.161 -3.066 2.922) 4.755 48.575 ( 0.059 0.125 -12.472) 12.473 48.781 ( 2.070 2.801 -9.206) 9.843 48.975 ( -2.305 -3.128 -11.183) 11.839 49.094 ( 0.154 0.312 12.454) 12.459 49.200 ( 2.146 2.657 11.228) 11.736 49.391 ( -2.210 -2.994 9.471) 10.176 49.614 ( 0.026 0.891 -4.417) 4.506 49.730 ( 2.437 2.449 -2.421) 4.219 49.889 ( -1.767 -2.208 -3.288) 4.337 81.858 ( 0.194 0.405 4.066) 4.091 81.953 ( 2.437 2.600 5.766) 6.778 82.131 ( -3.163 -3.382 7.883) 9.142 82.151 ( -0.264 -0.527 -3.102) 3.157 82.735 ( 3.220 4.104 0.006) 5.216 83.170 ( -6.504 -8.297 -5.607) 11.940 84.929 ( -2.758 -0.923 4.502) 5.360 85.004 ( 1.043 -3.491 2.786) 4.587 85.478 ( 1.433 1.957 4.178) 4.832 85.678 ( 0.519 9.941 -1.595) 10.081 85.990 ( 7.098 1.979 -4.533) 8.651 86.314 ( -4.410 -5.625 -11.272) 13.347 90.093 ( 1.262 2.023 1.567) 2.854 90.127 ( 1.385 1.591 1.637) 2.670 90.229 ( -0.529 -0.330 -0.865) 1.066 90.242 ( -0.959 -1.831 0.722) 2.190 90.872 ( 2.825 3.861 -2.805) 5.546 91.034 ( -3.010 -1.371 -11.680) 12.140 91.139 ( 0.103 -1.675 -5.039) 5.311 91.165 ( 1.507 3.655 -4.536) 6.017 91.543 ( 6.009 6.269 16.151) 18.337 91.878 ( -2.164 -2.719 18.888) 19.205 93.212 ( -2.024 1.018 -12.382) 12.587 93.531 ( -0.856 -6.242 -11.291) 12.930 ======================= Grid point 65 (15/24) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -7.537 13.054 16.047) 22.016 1.427 ( 5.002 -8.663 1.959) 10.193 1.621 ( -5.303 9.186 -2.767) 10.961 2.085 ( -0.182 0.315 -12.168) 12.174 2.261 ( 0.688 -1.191 -4.169) 4.390 2.480 ( 1.160 -2.010 -4.835) 5.363 2.597 ( 0.095 -0.165 -6.699) 6.702 2.639 ( -1.039 1.800 -21.678) 21.777 2.737 ( 0.614 -1.063 -11.862) 11.926 2.838 ( -0.188 0.325 3.901) 3.919 2.978 ( 0.144 -0.250 1.733) 1.756 2.989 ( 1.468 -2.543 -1.694) 3.390 3.276 ( -2.382 4.126 4.873) 6.815 3.414 ( -0.289 0.500 8.325) 8.345 3.503 ( -0.122 0.212 7.232) 7.237 3.564 ( 3.994 -6.918 -1.917) 8.215 3.696 ( 0.096 -0.166 11.702) 11.703 3.731 ( 3.101 -5.370 1.703) 6.431 3.971 ( -0.983 1.703 10.575) 10.756 4.138 ( 1.623 -2.811 8.810) 9.389 4.147 ( -3.438 5.954 9.842) 12.005 4.351 ( 1.030 -1.785 0.750) 2.193 4.468 ( -5.067 8.777 0.454) 10.145 4.468 ( 2.101 -3.640 6.645) 7.862 4.633 ( 0.967 -1.676 -1.013) 2.184 4.743 ( -1.644 2.848 -5.209) 6.161 4.860 ( 0.852 -1.475 3.990) 4.338 4.862 ( 0.480 -0.832 -5.133) 5.222 4.982 ( -0.829 1.436 -4.210) 4.525 5.062 ( 0.779 -1.349 -7.760) 7.915 5.146 ( 1.133 -1.963 3.380) 4.070 5.192 ( -1.389 2.407 -3.780) 4.692 5.581 ( -0.454 0.787 3.421) 3.540 5.587 ( 0.312 -0.540 7.095) 7.122 6.099 ( -0.162 0.281 -4.348) 4.360 6.235 ( 0.363 -0.629 -3.535) 3.608 6.239 ( -0.102 0.177 -11.488) 11.490 6.427 ( 3.947 -6.836 -8.078) 11.295 6.596 ( -0.536 0.929 7.039) 7.121 6.675 ( 0.838 -1.451 9.606) 9.751 6.909 ( -1.849 3.203 -0.426) 3.723 6.966 ( -0.063 0.109 0.046) 0.134 7.020 ( -0.517 0.896 10.658) 10.708 7.375 ( 2.366 -4.098 -3.185) 5.704 7.434 ( 1.071 -1.854 -12.249) 12.435 7.738 ( -4.086 7.077 -0.499) 8.187 8.023 ( 1.135 -1.965 -7.306) 7.651 8.236 ( -2.869 4.969 8.950) 10.632 8.310 ( 1.392 -2.412 -17.068) 17.293 8.404 ( -0.890 1.541 1.817) 2.543 8.560 ( 0.200 -0.346 0.606) 0.726 8.763 ( -0.695 1.203 0.875) 1.642 8.783 ( -1.123 1.946 -6.069) 6.471 8.987 ( 1.509 -2.613 -6.817) 7.455 9.032 ( -0.163 0.283 -0.134) 0.353 9.134 ( 2.431 -4.211 -4.977) 6.958 9.340 ( -1.628 2.821 -1.259) 3.492 9.448 ( 1.135 -1.967 12.388) 12.594 9.634 ( -0.212 0.367 1.513) 1.571 9.730 ( 1.865 -3.231 -6.414) 7.420 9.753 ( -2.069 3.584 13.735) 14.345 10.041 ( 0.639 -1.107 9.633) 9.717 10.092 ( 0.766 -1.326 1.130) 1.903 10.165 ( -0.044 0.077 6.104) 6.104 10.190 ( -1.804 3.125 2.401) 4.334 10.280 ( -0.031 0.054 -1.259) 1.260 10.321 ( -0.774 1.340 -2.976) 3.354 10.540 ( -0.485 0.840 -3.747) 3.871 10.570 ( -0.429 0.743 0.721) 1.121 10.592 ( 1.188 -2.058 -0.929) 2.552 10.891 ( -0.847 1.468 8.468) 8.636 10.989 ( -0.512 0.886 6.237) 6.321 11.051 ( 0.538 -0.932 2.803) 3.003 11.135 ( 1.481 -2.566 0.039) 2.963 11.146 ( 1.807 -3.130 2.443) 4.362 11.424 ( -2.587 4.481 -4.810) 7.065 11.638 ( 0.703 -1.218 -5.781) 5.949 11.712 ( 1.172 -2.029 -5.698) 6.161 13.105 ( -1.594 2.761 2.036) 3.782 13.239 ( 0.146 -0.252 -1.360) 1.391 13.280 ( 0.779 -1.350 -3.889) 4.190 13.558 ( 0.985 -1.707 -14.417) 14.551 14.220 ( -1.170 2.027 7.373) 7.736 14.322 ( 0.279 -0.483 3.230) 3.278 14.338 ( 0.618 -1.070 11.387) 11.454 14.440 ( -2.801 4.851 3.856) 6.800 14.604 ( 1.095 -1.897 3.929) 4.499 14.702 ( 1.249 -2.163 -0.436) 2.536 15.526 ( -0.835 1.446 -1.737) 2.409 15.620 ( 0.378 -0.654 -3.248) 3.335 16.456 ( -0.986 1.708 -1.774) 2.653 16.494 ( 0.462 -0.801 -4.287) 4.385 16.528 ( 0.327 -0.566 -3.477) 3.538 16.596 ( 0.237 -0.411 -5.055) 5.077 16.622 ( 1.194 -2.069 -1.105) 2.632 16.655 ( 0.640 -1.108 -1.733) 2.154 17.494 ( -2.728 4.725 -0.158) 5.459 17.608 ( -1.112 1.927 5.549) 5.978 17.609 ( -0.210 0.363 -2.833) 2.863 17.738 ( 0.326 -0.565 6.322) 6.355 17.807 ( 0.796 -1.378 0.966) 1.861 17.914 ( 0.403 -0.697 0.235) 0.839 20.351 ( -0.245 0.425 1.765) 1.832 20.377 ( -0.356 0.617 1.473) 1.636 20.435 ( -0.020 0.035 1.269) 1.270 20.456 ( 0.328 -0.569 0.395) 0.766 21.209 ( -0.180 0.312 0.201) 0.413 21.270 ( 1.223 -2.118 -1.328) 2.783 21.467 ( -0.563 0.975 1.840) 2.157 21.560 ( -1.172 2.029 2.108) 3.152 21.698 ( -0.119 0.207 -2.914) 2.924 21.721 ( -0.045 0.077 -3.212) 3.214 21.757 ( 1.659 -2.874 0.949) 3.451 21.779 ( 0.396 -0.686 0.195) 0.815 22.813 ( 0.227 -0.393 7.694) 7.707 23.263 ( -1.069 1.851 6.467) 6.811 23.329 ( 0.222 -0.385 6.070) 6.086 23.482 ( -0.085 0.147 -9.251) 9.252 23.929 ( 0.294 -0.509 0.352) 0.685 24.006 ( -0.349 0.604 -3.035) 3.114 24.050 ( 0.716 -1.241 -12.126) 12.210 24.222 ( -2.603 4.509 -2.681) 5.856 24.281 ( -0.334 0.578 2.572) 2.657 24.426 ( -1.066 1.846 2.740) 3.471 24.458 ( 1.851 -3.205 1.634) 4.046 24.630 ( -0.557 0.964 -0.999) 1.495 24.634 ( -0.352 0.610 -0.374) 0.797 24.708 ( 0.265 -0.460 -2.538) 2.593 24.735 ( -0.470 0.814 0.721) 1.185 24.817 ( 0.735 -1.273 -0.288) 1.498 24.992 ( 0.729 -1.262 2.095) 2.552 24.993 ( 1.555 -2.694 -0.445) 3.142 25.941 ( -1.402 2.429 1.335) 3.106 25.994 ( -0.004 0.007 4.657) 4.657 26.079 ( 1.049 -1.817 -2.546) 3.299 26.545 ( 0.116 -0.202 -7.902) 7.905 26.843 ( -0.344 0.596 3.622) 3.687 26.923 ( 0.934 -1.617 4.963) 5.302 27.144 ( -0.979 1.695 -0.609) 2.050 27.165 ( -0.328 0.569 5.705) 5.742 27.322 ( 1.570 -2.720 -4.418) 5.421 27.753 ( -0.146 0.254 -0.581) 0.651 27.757 ( -0.055 0.096 -0.642) 0.651 27.761 ( -0.243 0.421 -7.147) 7.163 28.227 ( -0.969 1.678 3.294) 3.822 28.355 ( 0.912 -1.580 0.014) 1.824 28.821 ( -0.499 0.864 0.552) 1.140 28.897 ( 0.614 -1.063 -1.171) 1.696 29.651 ( 0.217 -0.376 1.623) 1.680 29.854 ( -1.228 2.127 0.679) 2.548 29.863 ( 0.372 -0.644 -4.823) 4.879 29.971 ( 0.385 -0.667 -3.066) 3.161 30.186 ( -0.909 1.574 3.166) 3.651 30.259 ( -0.145 0.251 5.405) 5.413 30.320 ( 1.188 -2.057 -1.033) 2.591 30.537 ( -0.123 0.212 -2.763) 2.774 48.054 ( 0.139 -0.242 4.440) 4.448 48.158 ( -0.738 1.279 3.799) 4.076 48.257 ( 0.859 -1.489 2.988) 3.447 48.576 ( -0.044 0.076 -12.561) 12.562 48.821 ( -0.807 1.397 -9.960) 10.090 48.931 ( 0.881 -1.526 -10.992) 11.132 49.097 ( -0.109 0.188 12.525) 12.527 49.241 ( -0.699 1.210 11.084) 11.172 49.347 ( 0.854 -1.478 9.948) 10.093 49.619 ( -0.448 0.776 -4.369) 4.460 49.774 ( -0.406 0.703 -2.841) 2.954 49.852 ( 0.595 -1.031 -3.120) 3.340 81.862 ( -0.133 0.230 4.130) 4.139 82.003 ( -0.352 0.610 6.727) 6.764 82.070 ( 0.401 -0.695 7.509) 7.552 82.146 ( 0.167 -0.289 -2.869) 2.889 82.811 ( -1.482 2.568 -3.429) 4.533 83.049 ( 1.973 -3.418 -6.622) 7.708 84.900 ( -0.406 0.703 4.944) 5.010 84.997 ( 1.862 -3.225 2.161) 4.305 85.499 ( -0.345 0.597 4.314) 4.368 85.729 ( -5.088 8.814 -1.405) 10.274 86.140 ( 1.116 -1.933 -6.701) 7.063 86.169 ( 2.318 -4.014 -7.333) 8.675 90.119 ( -0.728 1.261 1.338) 1.977 90.148 ( -0.196 0.339 1.009) 1.082 90.218 ( 0.718 -1.244 1.292) 1.933 90.223 ( 0.021 -0.036 0.330) 0.333 90.955 ( -1.296 2.245 -6.422) 6.925 90.963 ( -0.274 0.475 -8.919) 8.935 91.132 ( 0.981 -1.699 -5.400) 5.745 91.196 ( -1.306 2.262 -4.320) 5.048 91.651 ( -0.939 1.627 18.739) 18.833 91.818 ( 1.132 -1.960 20.308) 20.433 93.198 ( -1.893 3.279 -10.783) 11.428 93.493 ( 3.411 -5.907 -13.246) 14.899 ======================= Grid point 72 (16/24) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 1.129 1.955 7.979) 8.292 1.235 ( 1.316 2.280 5.610) 6.197 1.749 ( 9.027 15.635 -1.442) 18.111 2.047 ( -4.013 -6.951 -12.574) 14.917 2.257 ( 1.438 2.490 -1.832) 3.409 2.456 ( -3.408 -5.903 -1.784) 7.046 2.599 ( 2.215 3.837 -19.041) 19.550 2.644 ( 0.557 0.966 -13.096) 13.144 2.732 ( -2.150 -3.724 -5.229) 6.770 2.872 ( 0.544 0.942 -4.204) 4.342 2.935 ( -1.014 -1.756 -1.583) 2.572 2.976 ( 0.017 0.029 0.695) 0.696 3.371 ( 0.397 0.687 -3.204) 3.301 3.390 ( 1.936 3.353 8.630) 9.459 3.476 ( -1.891 -3.275 7.656) 8.539 3.497 ( -1.985 -3.437 -1.242) 4.159 3.674 ( -0.514 -0.890 6.951) 7.027 3.695 ( -1.053 -1.824 13.071) 13.240 3.976 ( -1.707 -2.957 15.389) 15.764 4.120 ( 4.529 7.845 6.980) 11.436 4.268 ( -1.616 -2.798 14.477) 14.833 4.298 ( -3.261 -5.648 1.894) 6.791 4.420 ( 2.957 5.121 -0.317) 5.922 4.540 ( -2.010 -3.481 -2.358) 4.660 4.644 ( 2.094 3.628 0.482) 4.217 4.756 ( 2.117 3.667 -5.712) 7.110 4.824 ( 0.445 0.771 0.395) 0.974 4.872 ( -0.671 -1.162 2.020) 2.425 5.005 ( 0.222 0.384 -6.436) 6.451 5.045 ( -1.379 -2.389 -10.185) 10.552 5.120 ( -0.443 -0.768 3.863) 3.963 5.220 ( 0.750 1.299 -1.582) 2.180 5.580 ( -0.131 -0.226 6.874) 6.879 5.594 ( -0.851 -1.475 4.879) 5.168 6.106 ( -0.743 -1.287 -1.632) 2.207 6.213 ( 1.398 2.421 -9.310) 9.721 6.290 ( -2.075 -3.594 -9.032) 9.940 6.313 ( -1.969 -3.411 -9.974) 10.724 6.612 ( 0.636 1.101 7.915) 8.016 6.655 ( -1.255 -2.174 8.304) 8.676 6.944 ( 0.909 1.574 -0.925) 2.039 6.967 ( -0.259 -0.449 -0.346) 0.623 7.035 ( -0.180 -0.311 18.404) 18.407 7.324 ( 1.894 3.280 -10.896) 11.535 7.417 ( -2.558 -4.430 -10.986) 12.118 7.822 ( 4.690 8.123 -1.291) 9.468 7.992 ( -3.170 -5.490 -6.237) 8.893 8.270 ( 1.586 2.747 -14.047) 14.401 8.339 ( 0.743 1.287 2.404) 2.826 8.382 ( 1.283 2.223 7.256) 7.697 8.566 ( -3.473 -6.015 2.754) 7.472 8.756 ( 4.363 7.557 -0.874) 8.770 8.849 ( 3.722 6.447 -7.853) 10.821 8.899 ( -1.353 -2.344 -1.542) 3.116 9.056 ( -2.440 -4.226 -1.301) 5.051 9.095 ( -1.583 -2.742 -13.575) 13.939 9.378 ( 1.558 2.699 11.977) 12.376 9.422 ( -2.517 -4.359 5.571) 7.508 9.646 ( 0.743 1.287 -2.623) 3.014 9.686 ( -0.870 -1.508 -5.433) 5.705 9.792 ( -0.524 -0.908 14.560) 14.597 10.040 ( 0.261 0.452 7.441) 7.460 10.059 ( 0.100 0.172 4.630) 4.634 10.171 ( -0.668 -1.157 6.775) 6.905 10.244 ( 0.663 1.149 1.559) 2.047 10.266 ( 0.368 0.637 -2.828) 2.922 10.337 ( 0.177 0.307 -1.693) 1.729 10.549 ( 0.751 1.300 -2.716) 3.103 10.561 ( -0.749 -1.297 -1.173) 1.902 10.588 ( -0.170 -0.295 -0.201) 0.395 10.913 ( 2.102 3.641 6.205) 7.495 11.003 ( 0.688 1.191 5.859) 6.019 11.036 ( -0.691 -1.197 2.281) 2.668 11.060 ( 1.283 2.222 4.546) 5.220 11.146 ( -3.980 -6.893 1.724) 8.144 11.490 ( 0.272 0.472 -6.472) 6.495 11.604 ( 1.701 2.945 -4.914) 5.976 11.696 ( -2.886 -4.999 -5.936) 8.280 13.160 ( 2.349 4.069 1.483) 4.927 13.184 ( 1.941 3.363 -1.140) 4.047 13.295 ( -3.730 -6.461 -4.057) 8.492 13.537 ( -0.900 -1.559 -14.558) 14.669 14.261 ( 1.644 2.848 5.158) 6.117 14.280 ( 0.890 1.541 9.215) 9.385 14.345 ( -2.015 -3.489 5.454) 6.781 14.527 ( 3.663 6.345 5.691) 9.277 14.549 ( -0.064 -0.111 3.461) 3.463 14.678 ( -3.166 -5.483 1.009) 6.411 15.545 ( 1.664 2.882 -2.290) 4.040 15.610 ( -1.294 -2.241 -3.634) 4.461 16.482 ( -0.038 -0.065 -4.457) 4.457 16.493 ( 0.216 0.375 -3.799) 3.824 16.505 ( 1.363 2.361 -1.360) 3.046 16.587 ( -1.681 -2.911 -3.013) 4.514 16.605 ( -0.261 -0.453 -1.963) 2.031 16.644 ( -1.501 -2.601 -2.044) 3.632 17.556 ( 2.116 3.666 -1.422) 4.465 17.599 ( 0.669 1.159 0.225) 1.357 17.651 ( -0.442 -0.766 2.757) 2.896 17.719 ( 1.792 3.103 5.231) 6.340 17.787 ( -1.135 -1.966 3.770) 4.401 17.905 ( -0.173 -0.299 -0.864) 0.931 20.356 ( 0.397 0.687 1.607) 1.792 20.383 ( 0.778 1.348 1.244) 1.993 20.440 ( -0.328 -0.568 0.990) 1.188 20.446 ( -0.393 -0.681 1.095) 1.348 21.219 ( 0.024 0.042 -0.242) 0.247 21.240 ( -0.814 -1.410 -0.809) 1.819 21.477 ( 0.412 0.713 1.779) 1.960 21.583 ( 2.936 5.085 1.779) 6.135 21.707 ( -0.297 -0.514 -3.610) 3.659 21.714 ( -1.720 -2.979 -0.247) 3.449 21.727 ( -0.847 -1.466 -0.173) 1.702 21.773 ( -1.312 -2.273 -0.541) 2.679 22.808 ( -0.171 -0.297 7.745) 7.753 23.287 ( 1.258 2.179 6.301) 6.785 23.320 ( -0.296 -0.513 6.184) 6.213 23.484 ( 0.046 0.080 -9.403) 9.404 23.922 ( 0.086 0.149 3.944) 3.948 24.012 ( 0.663 1.148 -8.695) 8.795 24.038 ( -0.711 -1.231 -10.010) 10.110 24.254 ( 3.702 6.412 -0.420) 7.415 24.345 ( -0.394 -0.682 2.611) 2.727 24.377 ( -0.657 -1.139 -2.236) 2.594 24.450 ( -0.413 -0.716 2.245) 2.392 24.626 ( 2.053 3.556 0.537) 4.141 24.672 ( 0.215 0.373 1.090) 1.171 24.681 ( -0.012 -0.021 -2.897) 2.897 24.760 ( -0.590 -1.021 0.576) 1.312 24.791 ( -1.073 -1.859 0.073) 2.147 24.961 ( -0.896 -1.552 0.009) 1.792 24.983 ( -1.861 -3.224 1.077) 3.875 25.984 ( 0.214 0.371 5.950) 5.965 25.987 ( 1.327 2.298 -0.937) 2.815 26.051 ( -1.424 -2.467 -2.093) 3.535 26.543 ( -0.202 -0.349 -7.597) 7.607 26.852 ( 0.852 1.475 3.808) 4.172 26.903 ( -1.569 -2.718 4.987) 5.893 27.165 ( 0.180 0.313 8.215) 8.223 27.171 ( 2.653 4.595 -3.437) 6.321 27.291 ( -3.169 -5.488 -4.197) 7.601 27.756 ( 0.125 0.217 -0.410) 0.481 27.757 ( 0.178 0.308 -0.601) 0.699 27.766 ( 0.172 0.298 -7.300) 7.308 28.247 ( 2.199 3.809 2.820) 5.225 28.336 ( -2.106 -3.648 0.499) 4.242 28.831 ( 1.234 2.137 0.220) 2.477 28.885 ( -1.411 -2.444 -1.001) 2.994 29.647 ( -0.144 -0.250 1.625) 1.650 29.856 ( -0.123 -0.214 -4.643) 4.650 29.882 ( 2.055 3.560 0.339) 4.124 29.958 ( -1.307 -2.264 -1.871) 3.215 30.211 ( 1.574 2.726 1.785) 3.618 30.261 ( 0.159 0.275 5.278) 5.288 30.291 ( -1.910 -3.308 -0.483) 3.851 30.540 ( 0.103 0.178 -2.750) 2.757 48.051 ( -0.111 -0.192 4.495) 4.500 48.175 ( 1.362 2.360 3.591) 4.508 48.238 ( -1.617 -2.801 3.184) 4.538 48.577 ( 0.039 0.067 -12.636) 12.637 48.838 ( 1.745 3.022 -10.163) 10.746 48.912 ( -1.849 -3.203 -10.861) 11.474 49.100 ( 0.099 0.172 12.669) 12.670 49.255 ( 1.745 3.022 10.839) 11.387 49.330 ( -1.838 -3.184 10.137) 10.783 49.628 ( 0.258 0.447 -4.524) 4.554 49.780 ( 1.521 2.634 -2.749) 4.100 49.841 ( -1.498 -2.595 -3.090) 4.304 81.865 ( 0.125 0.216 4.291) 4.298 82.005 ( 1.578 2.733 6.522) 7.246 82.068 ( -1.745 -3.023 7.523) 8.293 82.142 ( -0.172 -0.298 -2.656) 2.679 82.841 ( 3.731 6.462 -4.470) 8.698 83.011 ( -4.508 -7.807 -6.289) 10.992 84.920 ( -0.039 -0.068 4.266) 4.267 84.950 ( -1.049 -1.817 3.760) 4.306 85.506 ( 0.467 0.810 4.421) 4.518 85.870 ( 4.697 8.136 -4.696) 10.503 86.030 ( 2.004 3.471 -4.072) 5.713 86.169 ( -5.261 -9.113 -7.292) 12.802 90.136 ( 1.266 2.193 1.230) 2.815 90.151 ( 0.413 0.714 0.899) 1.220 90.201 ( -1.223 -2.119 1.455) 2.846 90.223 ( -0.132 -0.229 0.520) 0.584 90.950 ( 2.254 3.904 -7.764) 8.978 91.008 ( -1.030 -1.785 -11.509) 11.692 91.104 ( -0.845 -1.464 -1.683) 2.385 91.223 ( 1.112 1.926 -3.989) 4.567 91.663 ( 3.528 6.110 19.101) 20.362 91.797 ( -3.029 -5.247 20.504) 21.380 93.259 ( 2.120 3.671 -12.408) 13.112 93.401 ( -3.670 -6.357 -12.018) 14.083 ======================= Grid point 110 (17/24) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 0.000 29.210) 29.210 1.082 ( -0.000 0.000 29.210) 29.210 1.109 ( 0.000 0.000 35.337) 35.337 1.599 ( 0.000 0.000 -25.856) 25.856 1.599 ( -0.000 0.000 -25.856) 25.856 1.767 ( 0.000 0.000 -34.715) 34.715 2.900 ( -0.000 0.000 4.643) 4.643 2.900 ( -0.000 0.000 4.643) 4.643 2.945 ( 0.000 0.000 -0.377) 0.377 2.945 ( -0.000 0.000 -0.377) 0.377 2.956 ( 0.000 0.000 13.254) 13.254 3.245 ( 0.000 0.000 -17.662) 17.662 3.433 ( 0.000 0.000 6.019) 6.019 3.433 ( 0.000 0.000 6.019) 6.019 3.620 ( -0.000 0.000 -13.298) 13.298 3.620 ( 0.000 0.000 -13.298) 13.298 3.885 ( 0.000 0.000 13.418) 13.418 3.885 ( 0.000 0.000 13.418) 13.418 4.078 ( 0.000 0.000 18.764) 18.764 4.115 ( 0.000 0.000 -11.168) 11.168 4.115 ( 0.000 0.000 -11.168) 11.168 4.128 ( 0.000 0.000 20.928) 20.928 4.434 ( 0.000 0.000 -9.819) 9.819 4.573 ( -0.000 0.000 6.908) 6.908 4.573 ( 0.000 0.000 6.908) 6.908 4.601 ( 0.000 -0.000 -22.025) 22.025 4.705 ( 0.000 0.000 -6.056) 6.056 4.705 ( -0.000 0.000 -6.056) 6.056 5.063 ( 0.000 0.000 5.378) 5.378 5.063 ( -0.000 0.000 5.378) 5.378 5.148 ( 0.000 0.000 -3.713) 3.713 5.148 ( -0.000 0.000 -3.713) 3.713 5.787 ( 0.000 0.000 6.556) 6.556 5.871 ( 0.000 0.000 -2.389) 2.389 6.387 ( -0.000 0.000 3.965) 3.965 6.387 ( -0.000 0.000 3.965) 3.965 6.473 ( -0.000 0.000 -4.518) 4.518 6.473 ( -0.000 0.000 -4.518) 4.518 6.631 ( 0.000 -0.000 8.477) 8.477 6.776 ( 0.000 0.000 -6.397) 6.397 7.011 ( 0.000 0.000 8.150) 8.150 7.098 ( 0.000 0.000 0.163) 0.163 7.140 ( 0.000 0.000 -5.186) 5.186 7.241 ( -0.000 0.000 -15.030) 15.030 7.516 ( 0.000 0.000 20.560) 20.560 7.516 ( 0.000 0.000 20.560) 20.560 7.843 ( 0.000 -0.000 -12.456) 12.456 7.843 ( 0.000 0.000 -12.456) 12.456 8.126 ( 0.000 0.000 2.461) 2.461 8.126 ( -0.000 0.000 2.461) 2.461 8.251 ( 0.000 0.000 -9.751) 9.751 8.251 ( 0.000 -0.000 -9.751) 9.751 9.213 ( 0.000 0.000 16.349) 16.349 9.263 ( 0.000 0.000 6.661) 6.661 9.296 ( 0.000 -0.000 10.565) 10.565 9.296 ( 0.000 -0.000 10.565) 10.565 9.421 ( -0.000 0.000 1.907) 1.907 9.421 ( 0.000 0.000 1.907) 1.907 9.671 ( 0.000 0.000 -4.483) 4.483 9.671 ( 0.000 0.000 -5.061) 5.061 9.671 ( 0.000 0.000 -1.168) 1.168 9.776 ( 0.000 0.000 -10.877) 10.877 9.776 ( 0.000 0.000 -10.877) 10.877 9.848 ( 0.000 0.000 -15.424) 15.424 10.339 ( 0.000 -0.000 6.322) 6.322 10.339 ( 0.000 0.000 6.322) 6.322 10.471 ( 0.000 -0.000 -5.793) 5.793 10.471 ( 0.000 0.000 -5.793) 5.793 10.490 ( 0.000 0.000 13.540) 13.540 10.689 ( 0.000 0.000 -2.388) 2.388 10.982 ( 0.000 0.000 -4.451) 4.451 11.056 ( 0.000 0.000 -7.287) 7.287 11.163 ( 0.000 0.000 13.776) 13.776 11.163 ( 0.000 0.000 13.776) 13.776 11.407 ( 0.000 0.000 -11.856) 11.856 11.407 ( 0.000 0.000 -11.856) 11.856 12.087 ( 0.000 0.000 1.745) 1.745 12.100 ( 0.000 0.000 0.168) 0.168 13.102 ( 0.000 0.000 14.075) 14.075 13.102 ( -0.000 0.000 14.075) 14.075 13.391 ( -0.000 0.000 -16.369) 16.369 13.391 ( 0.000 0.000 -16.369) 16.369 14.394 ( 0.000 -0.000 12.330) 12.330 14.394 ( -0.000 -0.000 12.330) 12.330 14.563 ( 0.000 0.000 5.943) 5.943 14.572 ( 0.000 0.000 -6.173) 6.173 14.572 ( 0.000 -0.000 -6.173) 6.173 14.682 ( 0.000 0.000 -6.560) 6.560 15.462 ( 0.000 -0.000 5.126) 5.126 15.551 ( 0.000 -0.000 -4.248) 4.248 16.398 ( 0.000 0.000 -1.041) 1.041 16.398 ( 0.000 0.000 -1.041) 1.041 16.426 ( 0.000 0.000 -3.581) 3.581 16.426 ( 0.000 -0.000 -3.581) 3.581 16.976 ( 0.000 0.000 -0.244) 0.244 16.978 ( 0.000 0.000 -0.608) 0.608 17.383 ( 0.000 -0.000 9.460) 9.460 17.536 ( 0.000 -0.000 2.701) 2.701 17.536 ( 0.000 0.000 2.701) 2.701 17.551 ( 0.000 0.000 -8.168) 8.168 17.563 ( 0.000 0.000 -0.185) 0.185 17.563 ( 0.000 -0.000 -0.185) 0.185 20.348 ( -0.000 0.000 5.058) 5.058 20.348 ( 0.000 0.000 5.058) 5.058 20.433 ( 0.000 0.000 -3.813) 3.813 20.433 ( 0.000 0.000 -3.813) 3.813 21.302 ( 0.000 0.000 1.092) 1.092 21.302 ( -0.000 0.000 1.092) 1.092 21.325 ( -0.000 0.000 -1.292) 1.292 21.325 ( 0.000 0.000 -1.292) 1.292 21.637 ( 0.000 0.000 0.640) 0.640 21.668 ( 0.000 0.000 -2.790) 2.790 22.215 ( 0.000 0.000 8.128) 8.128 22.342 ( 0.000 0.000 -5.420) 5.420 23.033 ( 0.000 -0.000 12.509) 12.509 23.033 ( -0.000 0.000 12.509) 12.509 23.274 ( -0.000 -0.000 -12.625) 12.625 23.274 ( 0.000 0.000 -12.625) 12.625 23.718 ( 0.000 -0.000 6.488) 6.488 23.854 ( 0.000 -0.000 -7.762) 7.762 24.005 ( -0.000 0.000 4.758) 4.758 24.005 ( 0.000 0.000 4.758) 4.758 24.099 ( -0.000 0.000 -5.138) 5.138 24.099 ( 0.000 0.000 -5.138) 5.138 24.501 ( 0.000 0.000 2.549) 2.549 24.559 ( 0.000 -0.000 5.071) 5.071 24.559 ( 0.000 0.000 5.071) 5.071 24.570 ( 0.000 0.000 -5.127) 5.127 24.667 ( -0.000 0.000 -6.359) 6.359 24.667 ( 0.000 -0.000 -6.359) 6.359 25.676 ( 0.000 0.000 15.829) 15.829 25.943 ( -0.000 0.000 -12.560) 12.560 26.000 ( -0.000 0.000 4.331) 4.331 26.000 ( 0.000 0.000 4.331) 4.331 26.083 ( 0.000 0.000 -4.295) 4.295 26.083 ( 0.000 0.000 -4.295) 4.295 26.852 ( 0.000 0.000 0.656) 0.656 26.866 ( 0.000 0.000 -0.881) 0.881 27.325 ( 0.000 0.000 11.376) 11.376 27.325 ( 0.000 0.000 11.376) 11.376 27.528 ( 0.000 0.000 -9.990) 9.990 27.528 ( -0.000 0.000 -9.990) 9.990 27.684 ( 0.000 0.000 0.238) 0.238 27.700 ( 0.000 0.000 -1.317) 1.317 28.200 ( 0.000 0.000 6.921) 6.921 28.331 ( 0.000 0.000 -7.172) 7.172 28.877 ( 0.000 0.000 6.503) 6.503 28.983 ( 0.000 0.000 -4.842) 4.842 29.713 ( -0.000 0.000 2.974) 2.974 29.713 ( 0.000 0.000 2.974) 2.974 29.782 ( -0.000 0.000 -4.419) 4.419 29.782 ( 0.000 0.000 -4.419) 4.419 30.317 ( 0.000 0.000 4.969) 4.969 30.317 ( 0.000 0.000 4.969) 4.969 30.397 ( 0.000 0.000 -3.592) 3.592 30.397 ( -0.000 0.000 -3.592) 3.592 48.185 ( 0.000 0.000 7.785) 7.785 48.185 ( 0.000 0.000 7.785) 7.785 48.357 ( -0.000 0.000 -10.620) 10.620 48.357 ( 0.000 0.000 -10.620) 10.620 48.757 ( 0.000 0.000 7.199) 7.199 48.916 ( 0.000 0.000 -9.783) 9.783 49.294 ( 0.000 0.000 10.661) 10.661 49.294 ( 0.000 0.000 10.661) 10.661 49.467 ( -0.000 0.000 -7.806) 7.806 49.467 ( 0.000 0.000 -7.806) 7.806 49.729 ( 0.000 0.000 9.213) 9.213 49.877 ( 0.000 0.000 -6.625) 6.625 81.938 ( 0.000 0.000 6.408) 6.408 81.938 ( -0.000 0.000 6.408) 6.408 82.064 ( 0.000 0.000 -6.771) 6.771 82.064 ( 0.000 0.000 -6.771) 6.771 83.706 ( 0.000 0.000 7.981) 7.981 83.863 ( 0.000 0.000 -8.552) 8.552 85.164 ( 0.000 0.000 4.460) 4.460 85.243 ( 0.000 0.000 -3.849) 3.849 85.333 ( 0.000 0.000 14.110) 14.110 85.333 ( -0.000 -0.000 14.110) 14.110 85.601 ( -0.000 0.000 -13.863) 13.863 85.601 ( -0.000 0.000 -13.863) 13.863 90.065 ( 0.000 0.000 3.297) 3.297 90.065 ( 0.000 0.000 3.297) 3.297 90.141 ( 0.000 0.000 -4.859) 4.859 90.141 ( 0.000 0.000 -4.859) 4.859 90.938 ( 0.000 0.000 10.157) 10.157 90.938 ( 0.000 -0.000 10.157) 10.157 91.114 ( 0.000 0.000 -8.489) 8.489 91.114 ( 0.000 0.000 -8.489) 8.489 91.212 ( 0.000 -0.000 4.276) 4.276 91.300 ( 0.000 0.000 -4.906) 4.906 93.341 ( 0.000 -0.000 11.355) 11.355 93.554 ( 0.000 0.000 -10.902) 10.902 ======================= Grid point 111 (18/24) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 2.765 1.596 27.184) 27.371 1.175 ( 7.330 4.232 26.861) 28.163 1.260 ( 12.381 7.148 26.989) 30.542 1.646 ( 3.004 1.734 -25.126) 25.364 1.676 ( 6.592 3.806 -24.661) 25.809 1.833 ( 6.765 3.906 -30.829) 31.803 2.667 ( -13.638 -7.874 11.389) 19.435 2.848 ( -5.756 -3.323 -3.998) 7.756 2.907 ( 0.033 0.019 2.379) 2.379 2.920 ( -1.694 -0.978 0.799) 2.113 3.081 ( 0.163 0.094 -0.360) 0.406 3.107 ( -6.242 -3.604 -5.181) 8.877 3.441 ( -0.808 -0.466 3.771) 3.885 3.494 ( 3.131 1.808 3.601) 5.103 3.605 ( -1.171 -0.676 -10.583) 10.669 3.665 ( 2.547 1.470 -10.331) 10.741 3.880 ( -1.407 -0.813 13.278) 13.377 3.921 ( 1.280 0.739 11.512) 11.606 3.988 ( -0.112 -0.064 9.781) 9.782 4.062 ( 1.164 0.672 3.765) 3.998 4.205 ( 2.810 1.622 3.833) 5.022 4.297 ( 8.907 5.142 -3.719) 10.937 4.449 ( 1.083 0.626 -5.580) 5.718 4.526 ( -2.192 -1.265 -2.410) 3.495 4.566 ( -0.481 -0.278 5.404) 5.433 4.625 ( -0.141 -0.081 -6.998) 7.000 4.688 ( -0.536 -0.310 -6.390) 6.420 4.710 ( 0.842 0.486 -6.715) 6.785 5.060 ( -0.407 -0.235 3.838) 3.867 5.076 ( 0.824 0.476 4.463) 4.564 5.130 ( -1.431 -0.826 -3.268) 3.662 5.150 ( 0.183 0.105 -3.136) 3.143 5.767 ( -1.685 -0.973 5.464) 5.800 5.829 ( -3.570 -2.061 -1.256) 4.309 6.307 ( -6.237 -3.601 3.003) 7.803 6.340 ( -5.937 -3.428 1.659) 7.054 6.420 ( -2.862 -1.653 -3.300) 4.671 6.447 ( -1.888 -1.090 -3.990) 4.547 6.668 ( 2.517 1.453 7.519) 8.061 6.792 ( 1.212 0.700 -4.839) 5.037 6.986 ( -2.671 -1.542 9.211) 9.714 7.058 ( -3.078 -1.777 0.223) 3.561 7.103 ( -1.814 -1.047 -5.220) 5.624 7.205 ( -2.219 -1.281 -11.630) 11.909 7.548 ( 2.203 1.272 16.943) 17.133 7.562 ( 3.400 1.963 17.302) 17.742 7.858 ( 0.938 0.541 -12.980) 13.025 7.871 ( 2.407 1.389 -13.374) 13.659 8.171 ( 3.372 1.947 1.358) 4.123 8.194 ( 5.539 3.198 1.224) 6.512 8.278 ( 2.204 1.272 -8.164) 8.552 8.295 ( 4.358 2.516 -7.569) 9.090 9.141 ( -5.585 -3.225 13.492) 14.954 9.227 ( -3.779 -2.182 5.139) 6.742 9.246 ( -4.564 -2.635 9.764) 11.096 9.325 ( 0.963 0.556 8.942) 9.011 9.389 ( -3.576 -2.065 -2.118) 4.641 9.466 ( 5.203 3.004 -1.563) 6.208 9.631 ( -1.344 -0.776 -3.927) 4.223 9.685 ( 0.021 0.012 -0.644) 0.645 9.750 ( 2.434 1.405 -10.455) 10.826 9.765 ( 6.004 3.466 3.193) 7.633 9.835 ( 4.969 2.869 -10.250) 11.747 9.951 ( 6.019 3.475 -12.622) 14.409 10.318 ( -1.475 -0.852 6.605) 6.821 10.340 ( 0.038 0.022 7.502) 7.502 10.445 ( -2.050 -1.184 -4.262) 4.875 10.464 ( -0.295 -0.170 1.914) 1.944 10.514 ( 1.437 0.830 3.218) 3.621 10.679 ( -0.950 -0.549 -3.879) 4.031 10.994 ( 0.905 0.523 -1.651) 1.954 11.052 ( -0.159 -0.092 -4.212) 4.216 11.153 ( -0.981 -0.567 12.293) 12.345 11.163 ( 0.094 0.054 13.023) 13.024 11.385 ( -1.969 -1.137 -11.600) 11.821 11.401 ( -0.631 -0.365 -11.493) 11.516 11.888 ( -14.158 -8.174 9.446) 18.881 11.991 ( -8.818 -5.091 -2.881) 10.582 13.120 ( 1.338 0.773 12.430) 12.526 13.143 ( 2.294 1.324 10.805) 11.125 13.378 ( -1.356 -0.783 -13.973) 14.060 13.384 ( -0.682 -0.394 -15.221) 15.242 14.393 ( -0.395 -0.228 14.213) 14.220 14.404 ( 0.630 0.364 12.545) 12.567 14.465 ( -4.446 -2.567 9.168) 10.508 14.569 ( -0.552 -0.319 -4.754) 4.796 14.578 ( -0.605 -0.349 -6.027) 6.067 14.651 ( -1.212 -0.700 -9.694) 9.794 15.474 ( 0.938 0.541 4.446) 4.576 15.556 ( 0.472 0.272 -4.309) 4.343 16.399 ( 0.018 0.010 -1.089) 1.089 16.420 ( 0.366 0.211 -2.535) 2.570 16.429 ( 0.458 0.265 -2.718) 2.769 16.438 ( 1.550 0.895 -4.484) 4.829 16.883 ( -6.505 -3.755 -0.222) 7.514 16.891 ( -6.180 -3.568 -0.923) 7.196 17.403 ( 1.790 1.033 8.164) 8.421 17.522 ( -0.282 -0.163 -2.560) 2.581 17.586 ( 3.042 1.757 2.012) 4.048 17.599 ( 3.439 1.986 -0.735) 4.039 17.667 ( 7.215 4.165 0.597) 8.352 17.700 ( 9.240 5.335 -2.956) 11.072 20.356 ( 0.693 0.400 4.644) 4.713 20.360 ( 0.971 0.560 4.640) 4.773 20.435 ( 0.162 0.093 -3.401) 3.406 20.438 ( 0.388 0.224 -3.330) 3.360 21.286 ( -1.315 -0.759 1.224) 1.950 21.313 ( -1.048 -0.605 -1.563) 1.976 21.343 ( 3.308 1.910 0.705) 3.884 21.360 ( 3.120 1.801 -1.011) 3.742 21.640 ( 0.229 0.132 0.458) 0.528 21.668 ( -0.043 -0.025 -2.714) 2.714 22.098 ( -8.262 -4.770 7.145) 11.920 22.203 ( -10.098 -5.830 -4.036) 12.339 23.029 ( -0.345 -0.199 12.557) 12.563 23.153 ( 8.257 4.767 11.301) 14.786 23.273 ( -0.108 -0.063 -12.770) 12.771 23.350 ( 4.581 2.645 -7.179) 8.917 23.733 ( 1.353 0.781 1.406) 2.102 23.844 ( -0.681 -0.393 -8.269) 8.307 24.015 ( 0.845 0.488 4.602) 4.704 24.085 ( 5.909 3.412 3.038) 7.469 24.107 ( 1.025 0.592 -4.348) 4.506 24.164 ( 5.756 3.323 -4.357) 7.947 24.484 ( -0.744 -0.429 3.419) 3.526 24.547 ( -0.483 -0.279 -0.323) 0.645 24.585 ( 0.838 0.484 -0.398) 1.046 24.602 ( 2.713 1.566 2.755) 4.172 24.670 ( 0.465 0.268 -5.462) 5.488 24.688 ( 1.738 1.004 -5.364) 5.727 25.542 ( -10.263 -5.926 9.819) 15.390 25.639 ( -17.096 -9.870 0.320) 19.743 25.994 ( -0.648 -0.374 4.194) 4.260 26.047 ( 2.506 1.447 6.400) 7.024 26.079 ( -0.002 -0.001 -2.630) 2.630 26.248 ( 6.143 3.546 -13.038) 14.842 26.855 ( 0.418 0.241 1.328) 1.413 26.885 ( 1.668 0.963 -1.788) 2.628 27.288 ( -3.205 -1.850 10.360) 11.001 27.330 ( 0.410 0.236 11.507) 11.517 27.478 ( -4.191 -2.420 -9.412) 10.583 27.540 ( 0.938 0.542 -10.545) 10.601 27.695 ( 0.945 0.546 0.198) 1.110 27.710 ( 0.754 0.436 -1.192) 1.476 28.215 ( 1.231 0.710 7.261) 7.399 28.345 ( 0.950 0.548 -6.822) 6.909 28.866 ( -0.923 -0.533 6.007) 6.101 28.965 ( -1.600 -0.924 -4.541) 4.903 29.711 ( -0.209 -0.121 3.027) 3.036 29.737 ( 2.078 1.200 2.953) 3.805 29.781 ( -0.102 -0.059 -4.474) 4.475 29.807 ( 2.068 1.194 -4.557) 5.145 30.305 ( -1.009 -0.583 4.817) 4.956 30.327 ( 0.870 0.503 5.261) 5.356 30.383 ( -1.209 -0.698 -3.456) 3.727 30.417 ( 1.468 0.848 -4.369) 4.686 48.183 ( -0.167 -0.096 7.855) 7.857 48.192 ( 0.637 0.368 7.544) 7.580 48.351 ( -0.494 -0.285 -9.126) 9.144 48.356 ( -0.044 -0.025 -10.698) 10.698 48.726 ( -2.131 -1.230 7.161) 7.573 48.888 ( -2.331 -1.346 -9.957) 10.315 49.298 ( 0.338 0.195 10.744) 10.751 49.312 ( 1.544 0.892 10.360) 10.512 49.473 ( 0.442 0.255 -7.878) 7.895 49.478 ( 0.911 0.526 -7.176) 7.253 49.722 ( -0.591 -0.341 8.570) 8.597 49.865 ( -1.083 -0.625 -6.536) 6.654 81.941 ( 0.283 0.164 6.343) 6.352 81.965 ( 2.415 1.394 6.919) 7.460 82.064 ( 0.060 0.034 -6.555) 6.555 82.100 ( 2.996 1.730 -7.103) 7.901 83.424 ( -27.096 -15.644 11.906) 33.477 83.519 ( -14.386 -8.306 -0.485) 16.618 85.106 ( -3.061 -1.768 3.314) 4.845 85.146 ( -4.174 -2.410 -0.012) 4.819 85.451 ( 5.181 2.991 6.453) 8.799 85.463 ( 5.689 3.284 8.258) 10.552 85.689 ( 7.512 4.337 -6.782) 11.011 85.844 ( 14.692 8.482 -19.574) 25.903 90.078 ( 1.000 0.577 3.142) 3.348 90.098 ( 2.380 1.374 3.701) 4.610 90.153 ( 1.123 0.648 -4.207) 4.402 90.193 ( 3.195 1.844 -5.618) 6.721 90.888 ( -2.977 -1.719 5.972) 6.890 90.927 ( -1.352 -0.781 2.332) 2.806 91.046 ( -1.135 -0.656 -3.605) 3.836 91.082 ( -0.737 -0.425 -5.649) 5.713 91.405 ( 13.046 7.532 9.121) 17.610 91.594 ( 18.735 10.816 -10.406) 24.006 93.280 ( -5.151 -2.974 10.396) 11.977 93.500 ( -4.649 -2.684 -11.932) 13.084 ======================= Grid point 112 (19/24) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 3.531 2.039 22.735) 23.098 1.348 ( 7.116 4.108 15.528) 17.568 1.499 ( 6.156 3.554 9.860) 12.156 1.712 ( 3.205 1.850 -18.545) 18.911 1.881 ( 12.347 7.129 -17.168) 22.317 2.037 ( 10.152 5.861 -21.374) 24.377 2.427 ( -6.911 -3.990 10.213) 12.961 2.670 ( -8.658 -4.999 -13.649) 16.918 2.831 ( -5.828 -3.365 1.933) 7.001 2.906 ( -1.157 -0.668 -3.656) 3.892 3.001 ( -1.927 -1.113 5.431) 5.870 3.061 ( -2.653 -1.532 -0.748) 3.153 3.420 ( -0.603 -0.348 2.558) 2.651 3.473 ( -3.541 -2.045 -0.484) 4.118 3.612 ( 1.281 0.739 1.096) 1.841 3.715 ( 1.929 1.114 -6.410) 6.786 3.823 ( -2.829 -1.633 12.681) 13.094 3.921 ( -1.175 -0.678 6.878) 7.011 4.029 ( 3.383 1.953 10.322) 11.036 4.175 ( 5.779 3.336 0.978) 6.744 4.242 ( 1.059 0.612 3.348) 3.564 4.408 ( -0.687 -0.396 -7.185) 7.229 4.458 ( -0.333 -0.192 1.450) 1.500 4.506 ( 0.065 0.038 0.382) 0.389 4.597 ( 0.463 0.268 -0.454) 0.702 4.604 ( 4.016 2.318 1.780) 4.967 4.722 ( 2.817 1.626 -3.169) 4.541 4.738 ( 1.844 1.065 -8.344) 8.611 5.041 ( -1.423 -0.822 1.198) 2.033 5.069 ( -2.029 -1.171 -0.992) 2.544 5.110 ( 0.042 0.024 1.366) 1.367 5.157 ( 0.463 0.268 -2.127) 2.193 5.722 ( -2.242 -1.295 3.279) 4.178 5.735 ( -4.484 -2.589 1.408) 5.366 6.150 ( -7.708 -4.450 -0.335) 8.907 6.175 ( -6.875 -3.969 -2.503) 8.324 6.346 ( -3.875 -2.237 0.958) 4.576 6.412 ( -1.639 -0.946 -5.368) 5.691 6.707 ( 0.656 0.379 6.453) 6.498 6.808 ( -0.254 -0.147 -4.012) 4.023 6.921 ( -1.979 -1.143 9.171) 9.451 6.996 ( -1.906 -1.101 0.104) 2.204 7.084 ( -0.369 -0.213 -2.355) 2.393 7.182 ( 0.162 0.093 -10.525) 10.527 7.588 ( 1.236 0.713 14.467) 14.537 7.637 ( 3.191 1.842 12.227) 12.770 7.869 ( -0.078 -0.045 -12.625) 12.625 7.934 ( 2.855 1.648 -16.198) 16.530 8.245 ( 3.538 2.042 1.450) 4.334 8.328 ( 4.573 2.640 -5.534) 7.649 8.351 ( 5.963 3.443 2.517) 7.331 8.445 ( 8.437 4.871 -6.614) 11.775 8.986 ( -8.640 -4.988 6.865) 12.110 9.082 ( -6.668 -3.850 4.285) 8.812 9.145 ( -5.721 -3.303 1.642) 6.807 9.245 ( -7.115 -4.108 -6.472) 10.459 9.369 ( 1.429 0.825 11.568) 11.685 9.581 ( 2.722 1.571 -9.639) 10.138 9.619 ( 1.294 0.747 5.153) 5.365 9.701 ( 1.328 0.767 1.233) 1.968 9.843 ( 4.226 2.440 0.676) 4.926 9.890 ( 5.831 3.367 -1.779) 6.965 9.991 ( 8.257 4.767 -3.687) 10.222 10.078 ( 5.074 2.930 -8.944) 10.692 10.296 ( -0.186 -0.107 5.212) 5.217 10.334 ( -0.759 -0.438 8.895) 8.938 10.402 ( -1.366 -0.789 -2.528) 2.980 10.456 ( -0.505 -0.291 6.799) 6.824 10.533 ( 0.039 0.022 -4.428) 4.428 10.642 ( -2.527 -1.459 -5.120) 5.893 11.013 ( 0.784 0.453 3.782) 3.889 11.058 ( 0.713 0.412 -0.668) 1.060 11.123 ( -1.416 -0.817 9.980) 10.113 11.168 ( 0.336 0.194 10.892) 10.899 11.324 ( -3.491 -2.016 -10.265) 11.028 11.372 ( -2.357 -1.361 -8.966) 9.370 11.624 ( -8.074 -4.661 9.351) 13.205 11.780 ( -9.143 -5.279 -7.025) 12.681 13.146 ( 0.871 0.503 9.232) 9.286 13.176 ( 1.013 0.585 6.687) 6.788 13.327 ( -3.196 -1.845 -9.389) 10.088 13.360 ( -1.394 -0.805 -13.036) 13.135 14.359 ( -1.677 -0.968 8.715) 8.927 14.400 ( -1.298 -0.749 7.640) 7.785 14.446 ( 1.401 0.809 9.510) 9.646 14.553 ( -0.875 -0.505 -2.166) 2.390 14.577 ( 1.853 1.070 -0.403) 2.177 14.669 ( 1.994 1.151 -7.697) 8.034 15.494 ( 0.720 0.416 2.947) 3.062 15.564 ( 0.035 0.020 -4.409) 4.409 16.402 ( 0.445 0.257 -1.185) 1.291 16.418 ( -0.062 -0.036 -2.515) 2.516 16.446 ( 0.979 0.565 -1.690) 2.033 16.471 ( 1.225 0.708 -4.862) 5.064 16.744 ( -5.815 -3.357 -0.372) 6.725 16.754 ( -5.850 -3.377 -1.259) 6.871 17.446 ( 1.835 1.060 5.025) 5.453 17.527 ( 0.544 0.314 -2.922) 2.989 17.653 ( 2.751 1.588 3.270) 4.559 17.689 ( 4.502 2.599 -0.198) 5.202 17.807 ( 4.661 2.691 2.440) 5.909 17.855 ( 4.560 2.632 -2.550) 5.850 20.373 ( 0.740 0.427 3.392) 3.498 20.383 ( 0.982 0.567 3.172) 3.368 20.441 ( 0.402 0.232 -1.862) 1.918 20.449 ( 0.546 0.315 -1.918) 2.019 21.252 ( -1.559 -0.900 1.347) 2.249 21.284 ( -1.414 -0.816 -1.970) 2.559 21.427 ( 4.028 2.326 1.447) 4.872 21.449 ( 4.598 2.654 -0.472) 5.330 21.646 ( 0.266 0.153 -0.398) 0.503 21.662 ( -0.522 -0.302 -2.475) 2.547 21.927 ( -6.749 -3.897 3.672) 8.615 21.981 ( -9.275 -5.355 -1.978) 10.891 23.020 ( -0.430 -0.248 12.670) 12.680 23.266 ( -0.026 -0.015 -12.430) 12.430 23.315 ( 5.362 3.096 9.046) 10.962 23.422 ( 2.098 1.211 1.302) 2.751 23.770 ( 1.841 1.063 -4.608) 5.075 23.832 ( -0.363 -0.210 -8.855) 8.865 24.037 ( 1.043 0.602 4.192) 4.362 24.116 ( 0.525 0.303 -4.032) 4.077 24.237 ( 6.746 3.895 4.404) 8.948 24.326 ( 7.945 4.587 -4.126) 10.059 24.476 ( -0.081 -0.047 3.518) 3.520 24.545 ( 0.357 0.206 -2.180) 2.219 24.606 ( 1.190 0.687 -0.361) 1.421 24.636 ( 0.188 0.108 -1.689) 1.703 24.703 ( 2.178 1.257 -0.938) 2.684 24.734 ( 2.164 1.250 -3.793) 4.542 25.286 ( -12.590 -7.269 4.564) 15.237 25.302 ( -12.574 -7.259 3.028) 14.831 25.977 ( -0.757 -0.437 3.878) 3.975 26.052 ( -0.830 -0.479 -3.566) 3.693 26.112 ( 1.753 1.012 9.456) 9.670 26.329 ( 1.920 1.108 -13.055) 13.242 26.874 ( 1.348 0.778 3.018) 3.396 26.936 ( 2.817 1.626 -3.384) 4.694 27.200 ( -4.385 -2.532 8.805) 10.157 27.336 ( -0.588 -0.340 8.327) 8.355 27.371 ( -4.436 -2.561 -4.909) 7.094 27.561 ( 0.831 0.480 -11.199) 11.240 27.720 ( 1.209 0.698 0.002) 1.396 27.729 ( 0.876 0.506 -0.758) 1.264 28.248 ( 1.653 0.955 6.567) 6.839 28.359 ( 0.100 0.058 -5.320) 5.322 28.845 ( -0.746 -0.431 4.410) 4.493 28.922 ( -2.113 -1.220 -3.640) 4.383 29.705 ( -0.236 -0.136 3.160) 3.172 29.778 ( -0.026 -0.015 -4.442) 4.442 29.796 ( 2.840 1.640 2.510) 4.130 29.860 ( 2.460 1.420 -4.310) 5.162 30.276 ( -1.497 -0.864 4.492) 4.813 30.346 ( -0.785 -0.453 0.145) 0.918 30.350 ( -0.203 -0.117 2.391) 2.402 30.446 ( 1.081 0.624 -4.816) 4.975 48.178 ( -0.217 -0.125 8.025) 8.029 48.211 ( 1.092 0.631 6.813) 6.929 48.335 ( -1.006 -0.581 -5.126) 5.256 48.355 ( -0.050 -0.029 -10.875) 10.875 48.690 ( -0.879 -0.507 3.781) 3.915 48.827 ( -2.962 -1.710 -9.646) 10.234 49.307 ( 0.379 0.219 10.843) 10.852 49.357 ( 2.405 1.388 9.688) 10.078 49.482 ( 0.277 0.160 -7.240) 7.247 49.499 ( 0.795 0.459 -4.829) 4.915 49.710 ( -0.262 -0.151 5.717) 5.725 49.832 ( -1.850 -1.068 -6.172) 6.531 81.949 ( 0.356 0.205 6.179) 6.193 82.036 ( 3.790 2.188 7.714) 8.869 82.066 ( 0.093 0.054 -5.900) 5.901 82.173 ( 3.008 1.737 -5.738) 6.708 82.960 ( -14.312 -8.263 15.427) 22.608 83.192 ( -13.792 -7.963 -9.186) 18.385 85.041 ( -2.712 -1.566 3.660) 4.817 85.078 ( -2.293 -1.324 -0.153) 2.653 85.544 ( 3.257 1.880 5.373) 6.558 85.569 ( 4.489 2.592 2.303) 5.672 85.859 ( 6.898 3.983 0.324) 7.972 86.049 ( 4.113 2.375 -17.256) 17.897 90.105 ( 1.409 0.814 2.643) 3.104 90.139 ( 1.198 0.692 0.924) 1.664 90.191 ( 2.096 1.210 -0.390) 2.452 90.240 ( 1.011 0.584 -3.103) 3.315 90.842 ( -1.188 -0.686 1.698) 2.183 90.888 ( -1.816 -1.048 -4.508) 4.972 91.063 ( 1.697 0.980 -1.364) 2.387 91.078 ( 0.161 0.093 -3.007) 3.012 91.702 ( 13.035 7.526 15.582) 21.665 91.951 ( 12.147 7.013 -8.237) 16.266 93.147 ( -6.142 -3.546 6.749) 9.791 93.372 ( -6.347 -3.664 -14.443) 16.196 ======================= Grid point 113 (20/24) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 1.222 0.706 26.704) 26.742 1.462 ( 3.666 2.117 2.661) 5.000 1.529 ( -1.588 -0.917 -2.376) 3.002 1.757 ( 0.626 0.362 -21.200) 21.212 2.154 ( 9.279 5.357 -5.319) 11.963 2.246 ( 9.449 5.455 -8.570) 13.874 2.348 ( -2.254 -1.302 0.485) 2.648 2.505 ( -7.057 -4.074 -13.452) 15.727 2.704 ( -4.113 -2.375 6.595) 8.127 2.869 ( -1.380 -0.797 -10.083) 10.208 2.976 ( -0.691 -0.399 4.889) 4.953 3.019 ( -0.837 -0.483 -0.159) 0.980 3.395 ( -1.402 -0.810 5.559) 5.790 3.442 ( 0.596 0.344 0.366) 0.779 3.627 ( -0.129 -0.075 3.719) 3.722 3.734 ( -0.025 -0.014 -5.955) 5.956 3.786 ( -0.344 -0.198 13.833) 13.839 3.892 ( -1.037 -0.599 3.142) 3.363 4.096 ( 2.155 1.244 10.473) 10.765 4.232 ( 0.249 0.144 8.505) 8.510 4.294 ( 2.704 1.561 -4.250) 5.274 4.344 ( -3.083 -1.780 -1.289) 3.786 4.440 ( -1.122 -0.648 2.241) 2.588 4.500 ( 0.103 0.060 -4.110) 4.111 4.624 ( 1.374 0.793 0.834) 1.793 4.698 ( 1.440 0.831 -4.675) 4.962 4.754 ( 1.892 1.092 3.589) 4.202 4.834 ( 4.885 2.820 -4.034) 6.935 4.988 ( -3.383 -1.953 0.699) 3.968 5.022 ( -1.446 -0.835 -3.147) 3.563 5.110 ( -0.099 -0.057 2.483) 2.486 5.167 ( 0.335 0.193 -2.313) 2.345 5.653 ( -2.213 -1.278 3.939) 4.695 5.685 ( -1.076 -0.621 1.489) 1.940 6.021 ( -3.192 -1.843 -1.722) 4.068 6.071 ( -2.517 -1.453 -6.670) 7.275 6.277 ( -1.892 -1.093 3.002) 3.713 6.375 ( -1.264 -0.730 -7.147) 7.294 6.705 ( -0.320 -0.185 5.775) 5.787 6.788 ( -0.835 -0.482 -2.551) 2.727 6.908 ( 0.148 0.085 8.017) 8.018 6.978 ( -0.112 -0.065 0.636) 0.649 7.078 ( -0.120 -0.069 0.583) 0.600 7.195 ( 0.555 0.321 -12.508) 12.524 7.603 ( 0.237 0.137 14.617) 14.619 7.693 ( 1.565 0.903 8.496) 8.686 7.858 ( -0.610 -0.352 -11.680) 11.701 7.978 ( 1.017 0.587 -19.720) 19.755 8.332 ( 3.753 2.167 6.059) 7.449 8.389 ( 1.250 0.722 1.449) 2.045 8.499 ( 5.348 3.088 -0.139) 6.177 8.606 ( 4.644 2.681 -9.374) 10.799 8.806 ( -5.900 -3.407 5.493) 8.752 8.974 ( -2.956 -1.707 -5.614) 6.570 9.034 ( -2.501 -1.444 -0.478) 2.927 9.091 ( -6.064 -3.501 -3.865) 7.998 9.394 ( 0.619 0.357 10.878) 10.902 9.586 ( -0.250 -0.145 -6.413) 6.420 9.673 ( 1.635 0.944 3.356) 3.851 9.723 ( 0.535 0.309 1.875) 1.974 9.904 ( 1.383 0.799 8.225) 8.378 10.010 ( 3.734 2.156 -4.142) 5.979 10.145 ( 2.860 1.651 -1.161) 3.500 10.155 ( 4.034 2.329 -2.225) 5.162 10.277 ( -2.593 -1.497 6.340) 7.012 10.339 ( 1.780 1.028 8.642) 8.883 10.398 ( 1.066 0.615 -0.998) 1.585 10.436 ( -1.615 -0.933 6.169) 6.445 10.524 ( -0.143 -0.082 -8.428) 8.429 10.577 ( -2.785 -1.608 -4.250) 5.330 11.024 ( 0.191 0.110 6.054) 6.058 11.067 ( -0.199 -0.115 0.944) 0.971 11.124 ( 1.748 1.009 4.347) 4.792 11.179 ( 0.788 0.455 8.063) 8.114 11.238 ( -3.998 -2.309 -4.548) 6.481 11.308 ( -2.282 -1.318 -3.943) 4.742 11.545 ( -0.369 -0.213 -0.913) 1.007 11.629 ( -4.183 -2.415 -7.586) 8.993 13.160 ( 0.474 0.274 6.938) 6.960 13.201 ( 1.447 0.835 1.517) 2.257 13.254 ( -3.028 -1.748 -4.399) 5.619 13.334 ( -0.759 -0.438 -11.635) 11.668 14.336 ( -0.503 -0.291 5.301) 5.333 14.372 ( -0.801 -0.463 1.210) 1.523 14.485 ( 1.880 1.086 6.948) 7.280 14.524 ( -1.618 -0.934 2.670) 3.259 14.647 ( 3.084 1.781 2.329) 4.255 14.699 ( 0.282 0.163 -2.749) 2.768 15.503 ( 0.149 0.086 1.322) 1.333 15.558 ( -0.366 -0.211 -4.111) 4.133 16.413 ( 0.287 0.166 -0.899) 0.959 16.426 ( 0.652 0.377 -2.749) 2.850 16.468 ( 0.812 0.469 -1.606) 1.860 16.492 ( 0.614 0.355 -4.211) 4.270 16.643 ( -2.859 -1.651 -0.353) 3.321 16.653 ( -2.866 -1.655 -1.299) 3.555 17.475 ( 0.700 0.404 3.251) 3.350 17.538 ( 0.293 0.169 -3.304) 3.321 17.698 ( 1.169 0.675 5.447) 5.612 17.774 ( 2.672 1.543 -2.206) 3.793 17.859 ( 0.433 0.250 4.220) 4.250 17.915 ( 1.297 0.749 -1.539) 2.147 20.385 ( 0.284 0.164 2.105) 2.131 20.397 ( 0.316 0.182 1.110) 1.168 20.451 ( 0.351 0.202 0.244) 0.473 20.458 ( 0.236 0.136 -0.487) 0.558 21.226 ( -0.683 -0.394 1.335) 1.550 21.259 ( -0.663 -0.383 -2.158) 2.290 21.501 ( 2.174 1.255 3.663) 4.440 21.553 ( 4.679 2.701 0.111) 5.404 21.636 ( -2.168 -1.251 -2.641) 3.638 21.653 ( 0.265 0.153 -2.502) 2.520 21.815 ( -3.075 -1.776 0.897) 3.663 21.824 ( -4.331 -2.501 0.021) 5.001 23.013 ( -0.188 -0.108 12.760) 12.762 23.263 ( -0.096 -0.055 -13.456) 13.457 23.391 ( 1.599 0.923 9.033) 9.220 23.451 ( 0.671 0.387 4.600) 4.665 23.805 ( 1.192 0.688 -7.247) 7.376 23.825 ( -0.430 -0.248 -9.307) 9.320 24.055 ( 0.460 0.266 3.786) 3.823 24.124 ( 0.202 0.117 -3.414) 3.422 24.362 ( 3.737 2.158 6.818) 8.069 24.462 ( 2.852 1.647 0.546) 3.338 24.479 ( 0.848 0.490 0.500) 1.100 24.559 ( 0.715 0.413 -3.905) 3.992 24.627 ( -0.282 -0.163 -0.364) 0.488 24.646 ( 1.836 1.060 -1.947) 2.878 24.735 ( 0.502 0.290 0.558) 0.805 24.768 ( 0.738 0.426 -3.313) 3.421 25.070 ( -5.608 -3.238 2.183) 6.834 25.084 ( -6.496 -3.750 1.032) 7.571 25.965 ( -0.311 -0.180 3.476) 3.495 26.036 ( -0.448 -0.259 -3.936) 3.970 26.137 ( 0.561 0.324 10.350) 10.370 26.352 ( 0.401 0.231 -12.022) 12.030 26.909 ( 1.431 0.826 4.678) 4.961 26.991 ( 1.543 0.891 -2.987) 3.478 27.123 ( -1.887 -1.089 5.853) 6.246 27.257 ( -3.352 -1.935 -7.241) 8.211 27.351 ( 0.113 0.065 11.875) 11.875 27.574 ( 0.294 0.170 -11.439) 11.444 27.741 ( 0.574 0.331 -0.179) 0.686 27.743 ( 0.379 0.219 -0.364) 0.569 28.281 ( 1.089 0.628 4.557) 4.727 28.351 ( -0.562 -0.325 -2.836) 2.909 28.838 ( 0.014 0.008 2.274) 2.274 28.882 ( -1.192 -0.688 -2.357) 2.729 29.702 ( -0.098 -0.057 3.275) 3.277 29.777 ( -0.033 -0.019 -4.776) 4.776 29.849 ( 1.595 0.921 2.114) 2.804 29.901 ( 1.000 0.577 -3.436) 3.625 30.250 ( -0.693 -0.400 3.841) 3.924 30.311 ( -1.118 -0.646 -2.681) 2.976 30.363 ( 0.354 0.204 5.833) 5.847 30.462 ( 0.353 0.204 -4.741) 4.759 48.174 ( -0.098 -0.056 8.164) 8.164 48.234 ( 0.812 0.469 5.773) 5.849 48.312 ( -0.806 -0.466 -1.255) 1.563 48.354 ( -0.021 -0.012 -11.011) 11.011 48.687 ( 0.301 0.174 -0.664) 0.749 48.772 ( -1.671 -0.965 -8.422) 8.640 49.313 ( 0.157 0.091 10.885) 10.886 49.407 ( 1.747 1.008 8.667) 8.899 49.481 ( -0.382 -0.221 -3.830) 3.855 49.507 ( 0.031 0.018 -3.124) 3.125 49.716 ( 0.665 0.384 0.789) 1.101 49.791 ( -1.481 -0.855 -5.325) 5.593 81.955 ( 0.160 0.092 6.025) 6.028 82.066 ( 0.019 0.011 -5.549) 5.549 82.120 ( 3.244 1.873 7.703) 8.566 82.204 ( -0.374 -0.216 0.612) 0.749 82.787 ( -2.359 -1.362 5.864) 6.466 82.957 ( -6.773 -3.910 -10.446) 13.049 84.998 ( -1.079 -0.623 4.282) 4.459 85.043 ( -0.814 -0.470 -0.697) 1.170 85.595 ( 1.271 0.734 6.239) 6.410 85.645 ( 1.978 1.142 0.916) 2.461 85.982 ( 4.484 2.589 -3.142) 6.057 86.063 ( -1.946 -1.124 -10.636) 10.871 90.132 ( 0.811 0.468 1.825) 2.051 90.155 ( 0.309 0.178 -0.194) 0.406 90.227 ( 0.952 0.550 0.953) 1.455 90.247 ( -0.099 -0.057 -0.442) 0.457 90.834 ( 0.366 0.211 -1.769) 1.818 90.853 ( -1.322 -0.763 -4.332) 4.593 91.082 ( 0.186 0.108 -1.190) 1.210 91.096 ( 0.908 0.524 -2.515) 2.725 91.933 ( 6.853 3.957 16.665) 18.448 92.102 ( 2.194 1.267 2.362) 3.464 93.047 ( -2.459 -1.420 1.538) 3.229 93.257 ( -3.264 -1.885 -17.254) 17.661 ======================= Grid point 118 (21/24) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 3.316 5.743 21.305) 22.313 1.239 ( 3.062 5.304 17.265) 18.319 1.487 ( 7.478 12.953 23.497) 27.854 1.714 ( 1.999 3.462 -20.766) 21.147 1.774 ( 4.799 8.312 -22.655) 24.604 1.981 ( 5.937 10.284 -26.213) 28.777 2.477 ( -5.296 -9.172 11.102) 15.343 2.714 ( -5.736 -9.934 -11.635) 16.339 2.868 ( -2.216 -3.839 0.763) 4.498 2.912 ( -0.160 -0.277 -1.459) 1.493 3.021 ( -2.017 -3.493 3.811) 5.550 3.071 ( -1.503 -2.604 -0.999) 3.168 3.457 ( -0.547 -0.947 1.985) 2.266 3.459 ( -1.160 -2.009 1.789) 2.929 3.637 ( 0.795 1.378 -5.133) 5.374 3.646 ( -0.909 -1.575 -4.957) 5.280 3.824 ( -1.677 -2.904 14.405) 14.790 3.926 ( -0.669 -1.159 8.017) 8.127 4.058 ( 3.403 5.895 9.855) 11.977 4.123 ( 3.073 5.323 1.609) 6.353 4.258 ( 1.579 2.735 3.615) 4.799 4.394 ( 1.984 3.436 -8.584) 9.457 4.470 ( 0.465 0.806 0.631) 1.124 4.518 ( 0.795 1.378 0.173) 1.600 4.554 ( -0.085 -0.148 2.371) 2.377 4.598 ( -1.025 -1.776 -1.313) 2.435 4.705 ( 0.880 1.523 -7.643) 7.843 4.730 ( 1.181 2.045 -5.159) 5.674 5.037 ( -1.131 -1.960 1.677) 2.817 5.074 ( -1.067 -1.847 0.047) 2.134 5.126 ( 0.747 1.294 -0.113) 1.498 5.157 ( 0.339 0.587 -1.614) 1.750 5.736 ( -1.227 -2.126 3.893) 4.603 5.764 ( -2.486 -4.306 0.512) 4.999 6.202 ( -3.718 -6.439 1.142) 7.522 6.232 ( -4.301 -7.449 -0.960) 8.655 6.369 ( -2.345 -4.062 -2.579) 5.352 6.383 ( -2.718 -4.707 -3.290) 6.354 6.709 ( 1.223 2.118 7.114) 7.523 6.821 ( 1.061 1.837 -4.050) 4.572 6.931 ( -2.005 -3.472 9.048) 9.896 7.007 ( -1.698 -2.942 -0.460) 3.428 7.092 ( 0.153 0.266 -4.722) 4.732 7.175 ( -0.687 -1.190 -8.529) 8.639 7.551 ( -0.402 -0.696 15.234) 15.255 7.637 ( 2.743 4.750 12.092) 13.278 7.891 ( 0.701 1.213 -11.509) 11.594 7.892 ( 0.963 1.668 -15.700) 15.818 8.262 ( 3.730 6.460 0.692) 7.492 8.269 ( 2.641 4.575 0.505) 5.307 8.357 ( 3.696 6.401 -5.446) 9.181 8.367 ( 3.445 5.966 -5.625) 8.894 9.046 ( -3.754 -6.502 6.850) 10.163 9.047 ( -6.117 -10.595 4.258) 12.954 9.272 ( -1.304 -2.259 8.687) 9.070 9.293 ( -2.941 -5.093 2.976) 6.591 9.408 ( 1.383 2.396 3.676) 4.600 9.444 ( -0.456 -0.789 -7.459) 7.514 9.622 ( 0.077 0.133 -2.892) 2.897 9.668 ( -0.280 -0.484 -1.282) 1.399 9.842 ( 3.133 5.426 6.140) 8.773 9.893 ( 5.815 10.072 -5.341) 12.797 9.942 ( 3.881 6.722 -5.280) 9.388 10.034 ( 2.818 4.881 -10.533) 11.946 10.296 ( -0.634 -1.098 6.392) 6.516 10.338 ( -0.141 -0.245 7.756) 7.761 10.421 ( -0.739 -1.280 -4.661) 4.890 10.449 ( -0.532 -0.922 6.650) 6.734 10.530 ( 0.182 0.316 -1.693) 1.732 10.656 ( -1.154 -1.998 -4.991) 5.498 11.009 ( 0.558 0.966 2.332) 2.585 11.054 ( 0.249 0.431 -0.966) 1.087 11.139 ( -0.556 -0.964 9.689) 9.753 11.160 ( -0.158 -0.273 12.411) 12.415 11.343 ( -1.949 -3.375 -10.347) 11.056 11.386 ( -0.711 -1.231 -10.871) 10.963 11.678 ( -6.316 -10.940 11.200) 16.882 11.835 ( -5.718 -9.904 -6.190) 13.004 13.144 ( 0.810 1.403 9.511) 9.648 13.166 ( 0.418 0.724 8.385) 8.426 13.346 ( -1.552 -2.688 -10.787) 11.225 13.365 ( -0.905 -1.568 -13.444) 13.565 14.376 ( -1.037 -1.797 10.793) 10.991 14.397 ( -0.747 -1.293 9.894) 10.006 14.450 ( 1.092 1.892 9.881) 10.120 14.550 ( -0.355 -0.615 -3.823) 3.888 14.574 ( -0.040 -0.069 -1.992) 1.994 14.657 ( 0.963 1.668 -8.942) 9.147 15.489 ( 0.479 0.830 3.364) 3.498 15.563 ( 0.120 0.208 -4.520) 4.527 16.401 ( 0.154 0.267 -1.128) 1.169 16.422 ( 0.005 0.009 -2.804) 2.804 16.437 ( 0.331 0.573 -1.595) 1.727 16.462 ( 0.793 1.374 -4.923) 5.172 16.778 ( -3.664 -6.346 -0.298) 7.334 16.788 ( -3.635 -6.295 -1.221) 7.371 17.446 ( 1.719 2.978 5.699) 6.656 17.534 ( 0.672 1.163 -2.659) 2.979 17.642 ( 2.233 3.867 1.732) 4.790 17.642 ( 1.621 2.807 0.805) 3.340 17.776 ( 3.311 5.734 2.089) 6.943 17.823 ( 3.227 5.589 -2.995) 7.115 20.369 ( 0.459 0.796 3.768) 3.878 20.377 ( 0.624 1.080 3.690) 3.895 20.439 ( 0.203 0.352 -2.407) 2.441 20.446 ( 0.328 0.569 -2.333) 2.424 21.264 ( -0.918 -1.590 0.945) 2.065 21.285 ( -1.005 -1.741 -1.157) 2.320 21.412 ( 2.185 3.785 0.248) 4.377 21.417 ( 2.734 4.736 -0.154) 5.470 21.645 ( 0.196 0.340 -0.048) 0.395 21.665 ( -0.180 -0.313 -2.513) 2.539 21.969 ( -4.328 -7.496 4.667) 9.834 22.037 ( -5.801 -10.047 -2.551) 11.878 23.022 ( -0.299 -0.518 12.652) 12.667 23.264 ( 0.839 1.453 -7.388) 7.576 23.284 ( 2.982 5.165 4.397) 7.410 23.408 ( 1.554 2.691 -0.410) 3.134 23.760 ( 1.114 1.929 -3.331) 4.007 23.835 ( -0.227 -0.393 -8.473) 8.485 24.057 ( 1.695 2.936 2.608) 4.277 24.075 ( -0.165 -0.286 0.800) 0.866 24.239 ( 4.312 7.468 -1.881) 8.826 24.244 ( 3.249 5.627 -2.290) 6.889 24.481 ( 0.155 0.269 3.382) 3.396 24.545 ( 0.199 0.345 -1.505) 1.557 24.598 ( 0.501 0.868 -0.162) 1.015 24.632 ( 0.511 0.886 -0.665) 1.220 24.696 ( 1.450 2.511 -2.741) 3.990 24.717 ( 1.095 1.896 -3.701) 4.300 25.361 ( -6.827 -11.825 5.061) 14.562 25.376 ( -8.740 -15.139 3.773) 17.883 25.985 ( -0.354 -0.612 3.494) 3.565 26.052 ( -0.502 -0.870 -2.345) 2.551 26.102 ( 1.147 1.986 8.268) 8.580 26.316 ( 1.579 2.734 -13.318) 13.687 26.867 ( 0.635 1.099 2.518) 2.820 26.920 ( 1.523 2.638 -2.995) 4.271 27.224 ( -2.593 -4.491 9.230) 10.587 27.337 ( 0.165 0.285 10.890) 10.895 27.398 ( -3.043 -5.271 -7.801) 9.894 27.557 ( 0.605 1.049 -11.092) 11.158 27.713 ( 0.714 1.236 0.065) 1.429 27.723 ( 0.527 0.912 -0.889) 1.378 28.238 ( 0.948 1.641 6.926) 7.180 28.357 ( 0.239 0.413 -5.858) 5.877 28.850 ( -0.529 -0.917 4.939) 5.051 28.934 ( -1.230 -2.131 -3.938) 4.643 29.706 ( -0.211 -0.365 3.102) 3.131 29.775 ( 0.341 0.590 -2.465) 2.558 29.782 ( 1.270 2.199 0.757) 2.650 29.848 ( 1.587 2.749 -4.492) 5.501 30.285 ( -0.858 -1.486 4.545) 4.858 30.342 ( 0.466 0.808 5.112) 5.197 30.358 ( -1.009 -1.748 -2.686) 3.359 30.440 ( 0.753 1.304 -4.806) 5.036 48.179 ( -0.143 -0.248 7.991) 7.996 48.205 ( 0.609 1.054 7.033) 7.138 48.340 ( -0.525 -0.910 -6.297) 6.384 48.355 ( -0.034 -0.060 -10.838) 10.838 48.697 ( -0.771 -1.336 4.982) 5.215 48.844 ( -1.747 -3.025 -9.823) 10.426 49.306 ( 0.294 0.510 10.891) 10.907 49.342 ( 1.268 2.196 9.838) 10.159 49.484 ( 0.403 0.698 -8.124) 8.164 49.490 ( 0.401 0.695 -5.108) 5.170 49.712 ( -0.293 -0.507 6.814) 6.839 49.842 ( -0.991 -1.717 -6.309) 6.613 81.947 ( 0.261 0.453 6.237) 6.259 82.013 ( 2.001 3.466 7.594) 8.584 82.066 ( 0.070 0.121 -6.118) 6.120 82.153 ( 1.936 3.353 -6.592) 7.645 83.054 ( -10.483 -18.157 16.498) 26.679 83.276 ( -8.604 -14.903 -7.630) 18.824 85.061 ( -1.542 -2.671 3.184) 4.432 85.089 ( -1.716 -2.973 0.642) 3.492 85.529 ( 2.036 3.527 6.113) 7.345 85.545 ( 3.344 5.792 1.632) 6.885 85.811 ( 4.052 7.019 0.313) 8.110 86.017 ( 3.821 6.618 -18.734) 20.232 90.098 ( 0.860 1.490 2.829) 3.311 90.131 ( 0.942 1.631 1.940) 2.704 90.179 ( 1.176 2.038 -1.597) 2.844 90.231 ( 0.844 1.462 -3.945) 4.291 90.851 ( -0.934 -1.618 2.643) 3.237 90.899 ( -1.034 -1.791 -3.738) 4.272 91.058 ( 1.112 1.927 -1.370) 2.613 91.078 ( 0.083 0.143 -3.451) 3.455 91.622 ( 7.793 13.498 14.361) 21.194 91.871 ( 8.535 14.783 -10.192) 19.881 93.183 ( -3.728 -6.457 7.830) 10.812 93.406 ( -3.935 -6.815 -13.473) 15.603 ======================= Grid point 119 (22/24) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.714 3.867 14.995) 15.580 1.373 ( 7.339 -1.405 5.924) 9.536 1.616 ( -4.639 9.554 7.641) 13.083 1.821 ( 3.450 6.721 -7.033) 10.322 1.980 ( 11.182 6.301 -14.875) 19.647 2.173 ( 7.633 6.123 -19.462) 21.784 2.373 ( -2.180 -1.489 4.755) 5.439 2.537 ( -4.572 -7.880 -10.801) 14.130 2.766 ( -5.468 -3.611 3.396) 7.381 2.887 ( -1.802 -1.500 -7.481) 7.839 2.968 ( -0.727 -2.679 4.338) 5.150 3.012 ( -1.205 -3.619 -0.066) 3.815 3.401 ( -1.717 -2.636 2.527) 4.035 3.437 ( -0.400 -1.261 1.178) 1.771 3.617 ( 0.162 -0.212 2.656) 2.669 3.685 ( 2.745 -1.587 -2.563) 4.077 3.793 ( 0.004 -0.169 13.663) 13.664 3.898 ( -1.103 -1.579 4.518) 4.911 4.135 ( -1.088 5.851 8.460) 10.344 4.215 ( 3.252 2.038 4.894) 6.220 4.301 ( 0.490 2.861 -0.301) 2.919 4.394 ( -3.972 -0.288 -2.423) 4.662 4.462 ( 0.227 0.082 -0.943) 0.974 4.519 ( -2.474 1.696 1.735) 3.465 4.594 ( 2.504 0.007 -0.387) 2.534 4.633 ( 5.456 0.447 -0.079) 5.475 4.737 ( 0.552 2.172 -5.501) 5.940 4.791 ( 4.031 2.000 -3.145) 5.490 4.992 ( -1.440 -2.741 0.082) 3.097 5.030 ( -1.275 -2.269 -0.709) 2.697 5.149 ( -0.838 2.708 0.308) 2.851 5.167 ( 0.095 0.490 -0.614) 0.792 5.686 ( -2.736 -1.705 2.711) 4.212 5.697 ( -1.251 -1.431 2.345) 3.018 6.078 ( -5.469 -2.286 -1.481) 6.110 6.109 ( -3.579 -2.933 -3.775) 5.972 6.264 ( -2.436 -5.803 -0.270) 6.299 6.317 ( 1.294 -7.963 -5.314) 9.660 6.729 ( -0.894 1.521 6.784) 7.010 6.824 ( -1.914 0.172 -1.238) 2.286 6.900 ( 0.348 0.008 5.947) 5.957 6.971 ( 0.035 -1.255 -0.453) 1.335 7.099 ( -0.838 1.876 -2.789) 3.464 7.176 ( 1.436 -0.487 -9.329) 9.452 7.530 ( 1.232 -4.542 16.266) 16.933 7.722 ( 1.739 4.922 5.917) 7.891 7.877 ( -2.207 0.487 -12.194) 12.402 7.934 ( 2.772 -1.664 -16.206) 16.525 8.347 ( 1.242 7.698 4.687) 9.098 8.403 ( 3.681 4.857 3.282) 6.922 8.471 ( 3.142 9.426 -3.968) 10.699 8.545 ( 7.846 5.889 -7.633) 12.430 8.839 ( -6.213 -9.127 4.364) 11.873 8.941 ( -0.794 -7.638 -2.611) 8.111 9.115 ( -8.792 -3.010 3.019) 9.772 9.189 ( -6.402 -5.805 -2.107) 8.896 9.381 ( -1.452 2.396 5.326) 6.018 9.531 ( 6.813 -4.991 -5.179) 9.908 9.629 ( 0.535 1.223 2.300) 2.659 9.684 ( 2.280 -1.175 0.755) 2.674 9.941 ( 1.297 6.579 7.745) 10.245 10.022 ( 0.382 7.121 -1.153) 7.223 10.097 ( 5.975 4.613 -2.308) 7.893 10.127 ( 3.475 3.677 -5.061) 7.156 10.287 ( 0.199 -0.539 5.592) 5.622 10.326 ( -0.434 -0.523 5.493) 5.535 10.407 ( -0.802 1.290 -0.359) 1.561 10.438 ( 0.291 -1.344 7.094) 7.226 10.518 ( -0.392 -1.603 -6.427) 6.635 10.603 ( -2.531 -2.585 -4.870) 6.066 11.027 ( 0.385 0.996 5.502) 5.605 11.067 ( 0.378 0.388 0.134) 0.558 11.123 ( -0.764 0.938 7.742) 7.836 11.159 ( 1.150 -1.137 9.557) 9.693 11.264 ( -2.895 -3.944 -4.932) 6.947 11.346 ( -2.711 -1.204 -8.813) 9.299 11.543 ( -1.529 -3.212 3.267) 4.830 11.664 ( -4.815 -6.171 -7.906) 11.125 13.163 ( 0.034 1.125 6.477) 6.574 13.182 ( 1.376 0.244 4.241) 4.465 13.282 ( -2.741 -2.719 -6.493) 7.554 13.333 ( -0.723 -1.962 -11.587) 11.774 14.345 ( -1.166 -0.660 4.647) 4.836 14.366 ( -0.403 -2.237 3.449) 4.131 14.492 ( 0.484 2.958 7.880) 8.431 14.552 ( -1.090 1.290 0.856) 1.893 14.605 ( 3.560 1.675 3.600) 5.333 14.694 ( 0.972 1.127 -4.607) 4.842 15.500 ( 0.275 0.160 1.508) 1.541 15.557 ( -0.377 -0.882 -4.438) 4.541 16.410 ( 0.527 0.352 -1.795) 1.904 16.421 ( -0.081 0.081 -2.403) 2.406 16.456 ( 1.145 0.851 -0.828) 1.650 16.489 ( 0.898 1.317 -4.260) 4.549 16.665 ( -3.301 -4.537 -0.258) 5.617 16.677 ( -3.310 -4.253 -1.422) 5.574 17.496 ( 0.219 3.635 3.103) 4.784 17.554 ( -0.314 1.920 -2.540) 3.199 17.689 ( 1.297 2.607 3.703) 4.711 17.734 ( 4.278 2.227 0.409) 4.840 17.848 ( 1.045 1.109 2.498) 2.926 17.890 ( 1.780 0.544 -1.656) 2.491 20.382 ( 0.364 0.427 2.367) 2.432 20.394 ( 0.430 0.492 1.622) 1.748 20.449 ( 0.367 0.559 -0.335) 0.748 20.457 ( 0.296 0.463 -0.717) 0.903 21.233 ( -1.039 -1.110 0.842) 1.738 21.254 ( -0.408 -1.910 -1.432) 2.422 21.484 ( 2.231 3.098 2.335) 4.475 21.516 ( 3.746 4.346 -0.179) 5.740 21.653 ( -0.489 0.011 -1.933) 1.994 21.655 ( -0.036 0.316 -1.669) 1.699 21.842 ( -3.665 -4.652 1.398) 6.085 21.861 ( -5.206 -6.727 -0.520) 8.522 23.012 ( -0.191 -0.492 12.785) 12.796 23.263 ( -0.101 -0.217 -13.455) 13.457 23.382 ( 2.140 3.427 8.825) 9.706 23.444 ( 0.837 0.949 4.268) 4.452 23.798 ( 1.119 1.647 -6.710) 7.000 23.831 ( -0.222 0.076 -8.723) 8.727 24.060 ( -0.703 0.506 4.055) 4.147 24.126 ( 1.880 2.423 -2.261) 3.810 24.322 ( 1.944 3.443 2.552) 4.706 24.382 ( 6.138 0.705 -2.648) 6.722 24.492 ( -0.109 1.512 3.450) 3.768 24.564 ( 0.706 1.828 -2.719) 3.351 24.621 ( 1.088 1.258 -0.274) 1.686 24.647 ( 0.677 1.652 -1.262) 2.186 24.737 ( 0.270 1.853 -0.831) 2.049 24.756 ( 1.631 0.971 -2.614) 3.231 25.120 ( -7.173 -9.184 3.338) 12.122 25.140 ( -7.053 -8.879 1.487) 11.437 25.974 ( -0.584 0.074 2.636) 2.701 26.033 ( -0.328 -1.395 -3.341) 3.635 26.132 ( 0.731 0.984 10.306) 10.378 26.349 ( 0.567 0.827 -12.238) 12.279 26.898 ( 1.378 1.800 4.235) 4.803 26.977 ( 1.927 2.406 -3.508) 4.670 27.138 ( -2.473 -3.476 7.114) 8.295 27.281 ( -3.493 -4.846 -7.085) 9.267 27.353 ( 0.035 0.372 11.411) 11.417 27.574 ( 0.308 0.749 -11.425) 11.454 27.736 ( 0.683 0.861 -0.133) 1.107 27.740 ( 0.485 0.635 -0.470) 0.927 28.272 ( 1.156 1.513 5.169) 5.508 28.354 ( -0.438 -0.605 -3.564) 3.642 28.838 ( -0.145 -0.206 2.895) 2.906 28.892 ( -1.334 -1.714 -2.762) 3.513 29.699 ( -0.055 -0.454 3.214) 3.246 29.772 ( 0.064 -0.433 -4.636) 4.656 29.841 ( 1.784 2.943 2.266) 4.121 29.897 ( 1.160 2.042 -3.696) 4.379 30.256 ( -0.857 -1.033 3.799) 4.030 30.316 ( -1.230 -2.100 -2.550) 3.525 30.360 ( 0.431 0.608 5.773) 5.821 30.460 ( 0.444 0.667 -4.808) 4.874 48.175 ( -0.108 -0.229 8.178) 8.182 48.229 ( 0.848 1.263 5.980) 6.170 48.318 ( -0.848 -1.161 -2.084) 2.531 48.354 ( -0.021 -0.051 -11.024) 11.024 48.686 ( 0.099 0.187 0.431) 0.480 48.785 ( -1.869 -2.492 -8.792) 9.328 49.315 ( 0.130 0.552 11.012) 11.026 49.390 ( 1.852 2.004 8.851) 9.262 49.489 ( -0.577 0.224 -3.877) 3.926 49.502 ( 0.569 -0.060 -4.721) 4.756 49.711 ( 0.402 0.392 2.436) 2.500 49.803 ( -1.467 -1.843 -5.652) 6.124 81.956 ( 0.147 0.515 6.083) 6.107 82.067 ( 0.076 0.235 -5.119) 5.125 82.089 ( 2.923 3.014 7.595) 8.678 82.201 ( 0.760 0.831 -2.235) 2.503 82.816 ( -4.487 -5.420 9.370) 11.718 83.018 ( -7.652 -9.403 -10.498) 16.037 85.014 ( -1.638 -1.121 3.763) 4.254 85.045 ( -0.799 -1.891 0.662) 2.157 85.587 ( 1.481 2.269 6.216) 6.781 85.652 ( 2.140 5.846 -1.328) 6.365 85.926 ( 4.410 2.707 0.330) 5.185 86.068 ( -0.338 -0.912 -13.208) 13.244 90.129 ( 0.880 1.600 2.097) 2.781 90.154 ( 0.444 0.775 0.209) 0.917 90.217 ( 1.115 1.213 0.480) 1.716 90.242 ( 0.119 -0.426 -1.111) 1.196 90.835 ( -0.161 0.015 -0.695) 0.713 90.868 ( -1.169 -0.959 -5.028) 5.250 91.085 ( 0.116 0.785 -1.001) 1.277 91.101 ( 0.899 2.679 -2.488) 3.765 91.865 ( 7.837 8.862 17.220) 20.892 92.076 ( 4.114 4.976 -1.304) 6.587 93.070 ( -3.091 -3.780 1.854) 5.223 93.268 ( -3.804 -7.017 -15.436) 17.377 ======================= Grid point 120 (23/24) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -0.700 1.213 17.147) 17.204 1.429 ( 3.477 -6.023 -2.924) 7.544 1.615 ( -6.624 11.473 5.582) 14.376 1.873 ( -4.643 8.043 -14.780) 17.456 2.170 ( 1.310 -2.270 -3.135) 4.086 2.300 ( 1.297 -2.247 -12.718) 12.980 2.337 ( -0.051 0.088 -2.223) 2.226 2.421 ( 1.554 -2.692 -9.025) 9.545 2.687 ( -0.283 0.490 5.521) 5.550 2.857 ( 0.310 -0.537 -11.112) 11.130 2.949 ( 1.308 -2.266 3.866) 4.668 2.981 ( 1.838 -3.183 -0.288) 3.687 3.372 ( 0.797 -1.381 5.181) 5.420 3.433 ( 0.689 -1.194 -1.216) 1.838 3.621 ( -0.100 0.174 6.908) 6.911 3.695 ( 1.364 -2.363 1.857) 3.301 3.807 ( -0.767 1.328 8.106) 8.250 3.871 ( 0.659 -1.141 3.118) 3.385 4.148 ( -2.167 3.754 9.351) 10.307 4.287 ( 1.207 -2.091 7.047) 7.449 4.304 ( -2.571 4.453 2.705) 5.810 4.325 ( -0.948 1.643 -1.530) 2.437 4.484 ( 0.818 -1.418 -4.772) 5.044 4.493 ( -2.356 4.081 -0.684) 4.762 4.622 ( 0.083 -0.144 0.897) 0.912 4.673 ( 1.378 -2.387 -1.447) 3.113 4.777 ( -0.393 0.680 -1.820) 1.982 4.840 ( 1.453 -2.516 -5.863) 6.543 4.973 ( -0.453 0.785 2.224) 2.401 4.991 ( 0.795 -1.378 0.678) 1.729 5.154 ( -1.805 3.127 -0.434) 3.637 5.168 ( 0.051 -0.088 -0.744) 0.751 5.654 ( -0.683 1.183 3.696) 3.940 5.679 ( 0.004 -0.007 1.938) 1.938 6.019 ( -0.971 1.681 -2.204) 2.937 6.064 ( -0.477 0.826 -6.751) 6.818 6.214 ( 2.804 -4.856 1.310) 5.758 6.285 ( 4.202 -7.278 -6.292) 10.499 6.725 ( -1.084 1.878 6.437) 6.793 6.804 ( -0.362 0.627 0.544) 0.905 6.907 ( -0.250 0.433 4.181) 4.211 6.970 ( 0.477 -0.827 -0.101) 0.960 7.101 ( -1.300 2.252 -1.117) 2.830 7.190 ( 0.477 -0.827 -11.786) 11.825 7.517 ( 3.232 -5.598 17.826) 18.962 7.770 ( -2.413 4.180 4.645) 6.699 7.850 ( 0.127 -0.220 -12.880) 12.883 7.949 ( 1.796 -3.110 -17.463) 17.828 8.414 ( -2.980 5.162 9.089) 10.869 8.460 ( -3.312 5.736 2.939) 7.246 8.567 ( -2.169 3.757 -0.904) 4.432 8.651 ( -1.286 2.227 -9.832) 10.162 8.734 ( 1.929 -3.342 3.877) 5.470 8.888 ( 2.852 -4.940 -8.473) 10.215 9.041 ( 1.032 -1.788 -1.285) 2.432 9.049 ( 0.280 -0.484 0.228) 0.604 9.384 ( -0.198 0.344 7.653) 7.663 9.555 ( 2.184 -3.783 -7.968) 9.087 9.649 ( 0.803 -1.392 4.677) 4.945 9.699 ( 1.156 -2.003 1.151) 2.584 9.983 ( -3.286 5.692 9.753) 11.761 10.070 ( -1.792 3.104 -1.076) 3.743 10.142 ( 0.511 -0.886 1.862) 2.124 10.217 ( -1.383 2.396 -4.980) 5.697 10.263 ( -0.478 0.829 7.658) 7.718 10.340 ( 0.617 -1.069 5.388) 5.528 10.398 ( 0.992 -1.718 8.939) 9.156 10.435 ( -0.976 1.690 -5.029) 5.394 10.517 ( 0.392 -0.679 -5.820) 5.873 10.549 ( 0.623 -1.080 -4.468) 4.639 11.036 ( -0.644 1.116 5.690) 5.834 11.067 ( -0.085 0.147 1.429) 1.439 11.129 ( 0.566 -0.981 4.908) 5.037 11.180 ( 0.372 -0.644 5.854) 5.901 11.200 ( 0.349 -0.605 0.769) 1.039 11.307 ( -0.570 0.988 -7.215) 7.305 11.532 ( 0.647 -1.121 -3.048) 3.312 11.584 ( 1.100 -1.905 -6.908) 7.250 13.170 ( -0.390 0.675 5.250) 5.308 13.216 ( 0.006 -0.011 -0.815) 0.815 13.222 ( 0.459 -0.794 -1.794) 2.015 13.315 ( 0.767 -1.329 -10.767) 10.875 14.331 ( 0.123 -0.213 3.551) 3.559 14.351 ( 0.751 -1.300 0.511) 1.586 14.515 ( -0.454 0.786 6.388) 6.452 14.543 ( -2.013 3.487 3.986) 5.666 14.665 ( 0.112 -0.194 2.476) 2.487 14.697 ( 0.125 -0.216 -0.559) 0.612 15.503 ( -0.014 0.023 0.133) 0.136 15.546 ( 0.567 -0.982 -4.017) 4.174 16.419 ( -0.142 0.246 -1.869) 1.890 16.420 ( 0.436 -0.756 -2.544) 2.689 16.478 ( -0.414 0.717 -0.822) 1.166 16.507 ( -0.577 0.999 -3.683) 3.860 16.608 ( 1.031 -1.786 -0.106) 2.066 16.622 ( 0.859 -1.487 -1.494) 2.276 17.516 ( -1.859 3.220 2.096) 4.269 17.559 ( -0.952 1.649 -2.479) 3.126 17.717 ( -0.826 1.430 5.519) 5.761 17.794 ( -0.358 0.619 -2.546) 2.644 17.847 ( 0.752 -1.302 4.788) 5.018 17.906 ( 0.972 -1.684 -1.581) 2.506 20.387 ( -0.040 0.069 1.679) 1.681 20.400 ( -0.027 0.046 0.498) 0.500 20.456 ( -0.172 0.298 0.770) 0.843 20.461 ( -0.096 0.167 0.087) 0.211 21.218 ( 0.211 -0.366 0.840) 0.941 21.241 ( 0.738 -1.279 -1.587) 2.168 21.522 ( -0.423 0.732 4.070) 4.156 21.610 ( -1.005 1.740 3.034) 3.639 21.612 ( -0.126 0.218 -5.400) 5.406 21.666 ( -0.717 1.242 -2.942) 3.273 21.774 ( 1.467 -2.540 0.729) 3.022 21.781 ( 0.993 -1.719 -0.021) 1.985 23.008 ( 0.176 -0.305 12.843) 12.848 23.261 ( 0.074 -0.128 -13.675) 13.676 23.415 ( -0.818 1.416 8.500) 8.656 23.456 ( -0.017 0.030 5.478) 5.478 23.821 ( -0.390 0.675 -7.413) 7.454 23.825 ( -0.198 0.343 -9.453) 9.461 24.057 ( 0.053 -0.092 5.417) 5.418 24.155 ( -1.671 2.895 -4.716) 5.780 24.356 ( 0.917 -1.588 4.984) 5.311 24.439 ( 2.362 -4.091 -3.282) 5.752 24.497 ( -0.820 1.420 4.608) 4.891 24.583 ( -0.588 1.018 -4.122) 4.287 24.646 ( -1.288 2.230 1.578) 3.020 24.676 ( -0.943 1.634 -1.317) 2.301 24.743 ( -0.333 0.576 0.472) 0.816 24.773 ( -0.041 0.071 -3.040) 3.041 25.009 ( 1.671 -2.893 1.483) 3.656 25.021 ( 1.432 -2.480 0.546) 2.915 25.969 ( -0.353 0.611 2.197) 2.308 26.022 ( 0.634 -1.098 -3.287) 3.523 26.143 ( -0.151 0.262 10.569) 10.573 26.357 ( -0.137 0.237 -11.699) 11.702 26.928 ( -0.618 1.070 5.189) 5.334 27.002 ( -0.012 0.021 -0.047) 0.053 27.106 ( 0.218 -0.378 2.026) 2.073 27.214 ( 1.327 -2.298 -6.828) 7.326 27.357 ( -0.213 0.369 12.039) 12.047 27.580 ( -0.241 0.418 -11.503) 11.513 27.747 ( -0.122 0.212 -0.207) 0.321 27.747 ( -0.109 0.189 -0.279) 0.355 28.294 ( -0.403 0.697 3.462) 3.554 28.342 ( 0.296 -0.514 -1.615) 1.720 28.839 ( -0.067 0.116 1.374) 1.381 28.869 ( 0.363 -0.629 -1.733) 1.879 29.696 ( 0.221 -0.383 3.269) 3.299 29.771 ( 0.260 -0.450 -4.710) 4.739 29.875 ( -0.911 1.578 1.623) 2.440 29.915 ( -0.408 0.706 -2.689) 2.810 30.245 ( 0.035 -0.061 2.968) 2.969 30.291 ( 0.718 -1.244 -2.051) 2.504 30.367 ( -0.112 0.193 5.856) 5.860 30.467 ( -0.128 0.221 -4.738) 4.744 48.172 ( 0.075 -0.129 8.262) 8.263 48.247 ( -0.441 0.764 5.052) 5.128 48.301 ( 0.386 -0.669 0.268) 0.818 48.354 ( 0.017 -0.029 -11.106) 11.106 48.693 ( -0.266 0.460 -2.393) 2.451 48.752 ( 0.604 -1.046 -7.606) 7.701 49.319 ( -0.241 0.417 11.044) 11.055 49.423 ( -0.378 0.654 7.954) 7.989 49.477 ( 0.149 -0.258 0.674) 0.737 49.506 ( -0.025 0.043 -5.943) 5.943 49.724 ( -0.205 0.354 -0.881) 0.971 49.775 ( 0.458 -0.793 -4.763) 4.850 81.960 ( -0.222 0.385 6.003) 6.019 82.068 ( -0.095 0.165 -5.268) 5.271 82.146 ( -0.291 0.504 7.155) 7.179 82.196 ( 0.175 -0.303 3.179) 3.198 82.775 ( 0.012 -0.021 1.523) 1.523 82.891 ( 1.546 -2.678 -9.296) 9.797 84.994 ( -0.145 0.251 4.128) 4.138 85.029 ( 0.549 -0.951 0.466) 1.192 85.612 ( -0.506 0.876 6.991) 7.064 85.701 ( -2.478 4.292 -2.083) 5.376 86.010 ( 0.447 -0.775 -5.358) 5.432 86.019 ( 1.195 -2.070 -6.605) 7.024 90.147 ( -0.557 0.964 1.392) 1.782 90.161 ( -0.222 0.385 0.058) 0.448 90.233 ( -0.024 0.042 0.653) 0.654 90.238 ( 0.440 -0.763 0.440) 0.984 90.842 ( -0.031 0.054 -3.379) 3.379 90.846 ( -0.210 0.363 -3.701) 3.724 91.091 ( -0.431 0.747 0.070) 0.866 91.123 ( -1.126 1.950 -3.216) 3.926 91.995 ( -1.325 2.295 16.253) 16.467 92.114 ( -0.009 0.015 6.886) 6.886 93.028 ( 0.088 -0.153 -2.462) 2.468 93.192 ( 2.585 -4.477 -16.585) 17.372 ======================= Grid point 127 (24/24) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.100 -0.173 5.711) 5.714 1.335 ( -0.450 -0.779 2.818) 2.958 1.814 ( 4.066 7.043 9.594) 12.577 1.902 ( 2.122 3.676 -0.983) 4.357 2.162 ( 5.454 9.446 -11.670) 15.974 2.235 ( 1.106 1.915 -21.035) 21.151 2.336 ( -2.179 -3.774 -1.662) 4.664 2.399 ( -3.397 -5.883 -5.195) 8.552 2.701 ( -1.376 -2.383 3.610) 4.539 2.851 ( -1.064 -1.843 -10.778) 10.986 2.920 ( -0.860 -1.490 2.590) 3.110 2.939 ( -1.749 -3.029 0.023) 3.498 3.357 ( -0.693 -1.200 4.145) 4.370 3.418 ( -0.355 -0.615 -1.675) 1.819 3.629 ( 0.912 1.579 8.261) 8.460 3.669 ( -0.627 -1.086 5.606) 5.744 3.817 ( 1.161 2.011 6.455) 6.860 3.862 ( -1.120 -1.939 3.311) 3.998 4.228 ( 1.947 3.373 5.300) 6.577 4.228 ( 0.296 0.512 11.415) 11.430 4.307 ( -1.223 -2.118 -0.941) 2.621 4.411 ( 0.263 0.455 -3.204) 3.247 4.463 ( 0.935 1.620 4.578) 4.945 4.518 ( -0.951 -1.648 -1.144) 2.220 4.637 ( 0.275 0.476 -0.990) 1.132 4.644 ( 1.834 3.177 -0.853) 3.766 4.786 ( 0.547 0.947 -6.550) 6.641 4.792 ( -0.089 -0.154 -6.317) 6.319 4.970 ( 0.141 0.245 3.043) 3.056 4.992 ( -0.931 -1.613 1.592) 2.450 5.167 ( -0.133 -0.231 1.259) 1.286 5.189 ( 0.667 1.156 -1.541) 2.039 5.673 ( -0.017 -0.029 3.025) 3.025 5.679 ( -0.205 -0.354 2.905) 2.934 6.069 ( 0.013 0.022 -2.049) 2.049 6.076 ( 0.536 0.928 -4.215) 4.349 6.158 ( -3.140 -5.438 -3.726) 7.302 6.171 ( -2.866 -4.964 -4.709) 7.418 6.754 ( 0.651 1.128 6.968) 7.089 6.796 ( -1.107 -1.917 5.068) 5.531 6.925 ( 0.831 1.440 -0.465) 1.726 6.953 ( -0.375 -0.649 -1.262) 1.468 7.140 ( 0.964 1.670 -6.371) 6.656 7.169 ( -0.076 -0.131 -8.333) 8.335 7.455 ( -1.516 -2.626 21.168) 21.384 7.807 ( 2.307 3.995 -1.740) 4.931 7.879 ( -0.981 -1.700 -5.312) 5.663 7.886 ( -0.929 -1.610 -20.074) 20.160 8.492 ( 3.393 5.877 8.701) 11.034 8.501 ( 3.074 5.325 6.131) 8.683 8.650 ( -1.571 -2.722 3.203) 4.487 8.656 ( 4.630 8.019 -6.635) 11.391 8.703 ( 1.265 2.191 -4.749) 5.381 8.823 ( -2.483 -4.301 -9.717) 10.913 8.998 ( -4.233 -7.331 3.514) 9.166 9.052 ( -3.826 -6.627 -1.227) 7.750 9.427 ( 0.589 1.020 0.325) 1.222 9.472 ( -0.362 -0.627 -2.096) 2.217 9.648 ( 0.361 0.625 1.649) 1.800 9.668 ( -0.316 -0.547 0.703) 0.945 10.048 ( 1.920 3.325 12.111) 12.705 10.106 ( 1.296 2.244 3.541) 4.388 10.131 ( 0.443 0.768 1.900) 2.097 10.233 ( 2.728 4.725 -5.441) 7.706 10.294 ( 0.692 1.198 5.176) 5.358 10.307 ( -0.605 -1.048 0.990) 1.564 10.379 ( -2.254 -3.904 7.964) 9.152 10.461 ( 1.771 3.067 -4.411) 5.657 10.497 ( 0.015 0.026 -3.491) 3.492 10.544 ( -2.048 -3.548 -4.793) 6.305 11.053 ( 0.956 1.655 4.836) 5.200 11.070 ( 0.006 0.010 1.038) 1.038 11.113 ( -1.312 -2.272 8.514) 8.909 11.164 ( 1.086 1.881 5.258) 5.689 11.202 ( -1.277 -2.211 2.654) 3.683 11.324 ( -0.587 -1.017 -10.981) 11.043 11.516 ( 0.255 0.441 -2.556) 2.606 11.566 ( -2.219 -3.843 -6.800) 8.120 13.185 ( 0.460 0.797 2.295) 2.472 13.193 ( 0.703 1.217 1.851) 2.324 13.231 ( -1.427 -2.472 -2.557) 3.832 13.298 ( -0.726 -1.257 -10.049) 10.154 14.332 ( -0.475 -0.822 1.666) 1.918 14.333 ( -0.354 -0.614 0.934) 1.173 14.524 ( 0.405 0.702 8.273) 8.313 14.596 ( 0.947 1.640 0.444) 1.945 14.646 ( 1.660 2.874 5.605) 6.514 14.696 ( -0.621 -1.076 0.028) 1.242 15.505 ( 0.318 0.551 -1.049) 1.227 15.532 ( -0.846 -1.465 -3.776) 4.137 16.411 ( -0.041 -0.071 -2.152) 2.153 16.421 ( -0.020 -0.034 -2.970) 2.971 16.488 ( 1.331 2.305 0.008) 2.661 16.518 ( 0.677 1.173 -3.176) 3.453 16.588 ( -1.617 -2.800 -0.008) 3.233 16.605 ( -1.750 -3.030 -1.749) 3.912 17.556 ( 1.241 2.150 0.949) 2.658 17.578 ( 0.206 0.357 -1.330) 1.392 17.745 ( 1.429 2.475 5.043) 5.797 17.786 ( 1.913 3.313 1.265) 4.029 17.841 ( -1.085 -1.879 1.910) 2.890 17.875 ( -0.869 -1.504 -2.202) 2.805 20.388 ( 0.091 0.158 1.469) 1.481 20.400 ( 0.080 0.139 0.268) 0.312 20.459 ( 0.254 0.440 0.828) 0.971 20.463 ( 0.080 0.139 0.501) 0.526 21.216 ( -0.276 -0.479 0.086) 0.559 21.224 ( -0.589 -1.021 -0.779) 1.413 21.528 ( 0.723 1.252 3.673) 3.947 21.600 ( 2.124 3.678 -2.490) 4.923 21.649 ( 0.316 0.547 0.155) 0.651 21.684 ( 1.233 2.136 -2.202) 3.306 21.743 ( -3.003 -5.201 1.108) 6.107 21.761 ( -2.126 -3.683 -0.790) 4.326 23.005 ( -0.140 -0.242 12.912) 12.915 23.260 ( -0.068 -0.117 -13.830) 13.830 23.433 ( 1.005 1.741 7.759) 8.015 23.454 ( -0.013 -0.022 6.238) 6.238 23.825 ( 0.575 0.997 -8.340) 8.419 23.833 ( 0.009 0.015 -8.528) 8.528 24.056 ( -0.208 -0.360 7.563) 7.575 24.195 ( 1.936 3.353 -6.399) 7.479 24.354 ( -0.272 -0.471 0.406) 0.678 24.366 ( -0.372 -0.644 -0.171) 0.763 24.509 ( 0.117 0.203 4.105) 4.112 24.591 ( 0.367 0.635 -4.270) 4.333 24.675 ( 2.069 3.583 1.973) 4.584 24.693 ( 1.333 2.308 0.628) 2.738 24.757 ( 0.028 0.048 -0.536) 0.538 24.768 ( 0.068 0.117 -1.945) 1.949 24.979 ( -2.555 -4.426 1.519) 5.331 24.996 ( -3.061 -5.302 -0.041) 6.123 25.980 ( 0.345 0.597 0.470) 0.834 26.006 ( -0.711 -1.231 -2.108) 2.543 26.146 ( 0.218 0.377 10.724) 10.732 26.359 ( 0.155 0.269 -11.549) 11.553 26.941 ( 1.466 2.539 5.352) 6.103 26.997 ( -0.671 -1.162 2.590) 2.917 27.106 ( 0.733 1.269 -1.058) 1.807 27.187 ( -2.605 -4.512 -6.402) 8.254 27.361 ( 0.146 0.253 12.035) 12.038 27.585 ( 0.188 0.325 -11.537) 11.543 27.749 ( 0.220 0.381 -0.212) 0.488 27.749 ( 0.165 0.285 -0.255) 0.417 28.302 ( 0.884 1.532 2.715) 3.240 28.336 ( -0.711 -1.231 -0.817) 1.640 28.841 ( 0.283 0.490 0.866) 1.035 28.862 ( -0.752 -1.302 -1.349) 2.020 29.692 ( -0.130 -0.225 3.251) 3.261 29.766 ( -0.121 -0.210 -4.637) 4.643 29.894 ( 1.293 2.239 1.031) 2.783 29.921 ( 0.145 0.251 -1.831) 1.854 30.247 ( 0.113 0.197 1.836) 1.850 30.275 ( -1.080 -1.871 -1.182) 2.463 30.369 ( 0.152 0.263 5.860) 5.868 30.469 ( 0.150 0.259 -4.753) 4.762 48.171 ( -0.066 -0.114 8.335) 8.336 48.257 ( 0.852 1.475 4.375) 4.695 48.292 ( -0.827 -1.432 1.310) 2.110 48.353 ( -0.013 -0.023 -11.180) 11.181 48.700 ( 0.685 1.186 -3.443) 3.705 48.740 ( -1.209 -2.094 -6.961) 7.369 49.324 ( 0.168 0.291 11.226) 11.231 49.430 ( 1.183 2.050 7.245) 7.622 49.473 ( -0.882 -1.527 3.878) 4.260 49.508 ( 0.205 0.355 -8.328) 8.338 49.728 ( 0.746 1.291 -1.488) 2.106 49.766 ( -1.091 -1.890 -4.439) 4.946 81.965 ( 0.171 0.297 6.001) 6.011 82.070 ( 0.052 0.090 -4.996) 4.997 82.146 ( 1.562 2.705 7.173) 7.824 82.195 ( -0.822 -1.424 3.401) 3.777 82.777 ( 0.602 1.042 -0.320) 1.245 82.865 ( -3.557 -6.161 -8.260) 10.901 85.001 ( -0.115 -0.199 3.433) 3.440 85.015 ( -0.607 -1.052 2.115) 2.439 85.622 ( 0.634 1.099 7.622) 7.727 85.761 ( 2.499 4.328 -6.873) 8.498 85.964 ( 1.043 1.806 -1.433) 2.530 86.019 ( -2.057 -3.564 -7.096) 8.203 90.159 ( 0.718 1.243 1.022) 1.762 90.166 ( 0.203 0.352 0.391) 0.564 90.227 ( -0.482 -0.835 0.964) 1.364 90.232 ( 0.232 0.402 0.283) 0.543 90.840 ( 0.282 0.489 -3.092) 3.143 90.853 ( -0.382 -0.661 -4.618) 4.681 91.100 ( 0.333 0.577 1.122) 1.305 91.147 ( 0.903 1.564 -3.740) 4.154 92.016 ( 3.714 6.432 16.334) 17.943 92.112 ( -0.711 -1.231 8.920) 9.033 93.037 ( 0.452 0.784 -6.750) 6.811 93.132 ( -3.559 -6.164 -14.197) 15.881 =================== 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 3/47040 10.0 20.337 20.337 32.237 0.000 -0.000 0.000 3/47040 20.0 6.364 6.364 11.241 0.000 -0.000 0.000 3/47040 30.0 3.126 3.126 6.242 0.000 -0.000 0.000 3/47040 40.0 1.987 1.987 4.304 0.000 0.000 0.000 3/47040 50.0 1.446 1.446 3.302 -0.000 0.000 0.000 3/47040 60.0 1.138 1.138 2.697 -0.000 0.000 0.000 3/47040 70.0 0.941 0.941 2.293 -0.000 0.000 0.000 3/47040 80.0 0.805 0.805 2.004 -0.000 0.000 0.000 3/47040 90.0 0.706 0.706 1.787 -0.000 0.000 0.000 3/47040 100.0 0.630 0.630 1.617 -0.000 0.000 0.000 3/47040 110.0 0.570 0.570 1.480 -0.000 0.000 0.000 3/47040 120.0 0.522 0.522 1.366 -0.000 0.000 0.000 3/47040 130.0 0.481 0.481 1.270 -0.000 0.000 0.000 3/47040 140.0 0.447 0.447 1.187 -0.000 0.000 0.000 3/47040 150.0 0.417 0.417 1.115 -0.000 0.000 0.000 3/47040 160.0 0.391 0.391 1.051 -0.000 0.000 0.000 3/47040 170.0 0.369 0.369 0.994 -0.000 0.000 0.000 3/47040 180.0 0.348 0.348 0.943 -0.000 0.000 0.000 3/47040 190.0 0.330 0.330 0.897 -0.000 0.000 0.000 3/47040 200.0 0.314 0.314 0.855 -0.000 0.000 0.000 3/47040 210.0 0.300 0.300 0.817 -0.000 0.000 0.000 3/47040 220.0 0.286 0.286 0.783 -0.000 0.000 0.000 3/47040 230.0 0.274 0.274 0.751 -0.000 0.000 0.000 3/47040 240.0 0.263 0.263 0.721 -0.000 0.000 0.000 3/47040 250.0 0.253 0.253 0.694 -0.000 0.000 0.000 3/47040 260.0 0.243 0.243 0.669 -0.000 0.000 0.000 3/47040 270.0 0.234 0.234 0.645 -0.000 0.000 0.000 3/47040 280.0 0.226 0.226 0.623 -0.000 0.000 0.000 3/47040 290.0 0.218 0.218 0.603 -0.000 0.000 0.000 3/47040 300.0 0.211 0.211 0.583 -0.000 0.000 0.000 3/47040 310.0 0.204 0.204 0.565 -0.000 0.000 0.000 3/47040 320.0 0.198 0.198 0.548 -0.000 0.000 0.000 3/47040 330.0 0.192 0.192 0.532 -0.000 0.000 0.000 3/47040 340.0 0.187 0.187 0.517 -0.000 0.000 0.000 3/47040 350.0 0.181 0.181 0.503 -0.000 0.000 0.000 3/47040 360.0 0.176 0.176 0.489 -0.000 0.000 0.000 3/47040 370.0 0.172 0.172 0.477 -0.000 0.000 0.000 3/47040 380.0 0.167 0.167 0.464 -0.000 0.000 0.000 3/47040 390.0 0.163 0.163 0.453 -0.000 0.000 0.000 3/47040 400.0 0.159 0.159 0.442 -0.000 0.000 0.000 3/47040 410.0 0.155 0.155 0.431 -0.000 0.000 0.000 3/47040 420.0 0.151 0.151 0.421 -0.000 0.000 0.000 3/47040 430.0 0.148 0.148 0.412 -0.000 0.000 0.000 3/47040 440.0 0.145 0.145 0.403 -0.000 0.000 0.000 3/47040 450.0 0.141 0.141 0.394 -0.000 0.000 0.000 3/47040 460.0 0.138 0.138 0.386 -0.000 0.000 0.000 3/47040 470.0 0.135 0.135 0.378 -0.000 0.000 0.000 3/47040 480.0 0.133 0.133 0.370 -0.000 0.000 0.000 3/47040 490.0 0.130 0.130 0.363 -0.000 0.000 0.000 3/47040 500.0 0.127 0.127 0.356 -0.000 0.000 0.000 3/47040 510.0 0.125 0.125 0.349 -0.000 0.000 0.000 3/47040 520.0 0.122 0.122 0.342 -0.000 0.000 0.000 3/47040 530.0 0.120 0.120 0.336 -0.000 0.000 0.000 3/47040 540.0 0.118 0.118 0.330 -0.000 0.000 0.000 3/47040 550.0 0.116 0.116 0.324 -0.000 0.000 0.000 3/47040 560.0 0.114 0.114 0.318 -0.000 0.000 0.000 3/47040 570.0 0.112 0.112 0.313 -0.000 0.000 0.000 3/47040 580.0 0.110 0.110 0.308 -0.000 0.000 0.000 3/47040 590.0 0.108 0.108 0.303 -0.000 0.000 0.000 3/47040 600.0 0.106 0.106 0.298 -0.000 0.000 0.000 3/47040 610.0 0.104 0.104 0.293 -0.000 0.000 0.000 3/47040 620.0 0.103 0.103 0.288 -0.000 0.000 0.000 3/47040 630.0 0.101 0.101 0.284 -0.000 0.000 0.000 3/47040 640.0 0.100 0.100 0.279 -0.000 0.000 0.000 3/47040 650.0 0.098 0.098 0.275 -0.000 0.000 0.000 3/47040 660.0 0.096 0.096 0.271 -0.000 0.000 0.000 3/47040 670.0 0.095 0.095 0.267 -0.000 0.000 0.000 3/47040 680.0 0.094 0.094 0.263 -0.000 0.000 0.000 3/47040 690.0 0.092 0.092 0.260 -0.000 0.000 0.000 3/47040 700.0 0.091 0.091 0.256 -0.000 0.000 0.000 3/47040 710.0 0.090 0.090 0.252 -0.000 0.000 0.000 3/47040 720.0 0.088 0.088 0.249 -0.000 0.000 0.000 3/47040 730.0 0.087 0.087 0.246 -0.000 0.000 0.000 3/47040 740.0 0.086 0.086 0.242 -0.000 0.000 0.000 3/47040 750.0 0.085 0.085 0.239 -0.000 0.000 0.000 3/47040 760.0 0.084 0.084 0.236 -0.000 0.000 0.000 3/47040 770.0 0.083 0.083 0.233 -0.000 0.000 0.000 3/47040 780.0 0.082 0.082 0.230 -0.000 0.000 0.000 3/47040 790.0 0.081 0.081 0.227 -0.000 0.000 0.000 3/47040 800.0 0.080 0.080 0.225 -0.000 0.000 0.000 3/47040 810.0 0.079 0.079 0.222 -0.000 0.000 0.000 3/47040 820.0 0.078 0.078 0.219 -0.000 0.000 0.000 3/47040 830.0 0.077 0.077 0.217 -0.000 0.000 0.000 3/47040 840.0 0.076 0.076 0.214 -0.000 0.000 0.000 3/47040 850.0 0.075 0.075 0.212 -0.000 0.000 0.000 3/47040 860.0 0.074 0.074 0.209 -0.000 0.000 0.000 3/47040 870.0 0.073 0.073 0.207 -0.000 0.000 0.000 3/47040 880.0 0.072 0.072 0.204 -0.000 0.000 0.000 3/47040 890.0 0.072 0.072 0.202 -0.000 0.000 0.000 3/47040 900.0 0.071 0.071 0.200 -0.000 0.000 0.000 3/47040 910.0 0.070 0.070 0.198 -0.000 0.000 0.000 3/47040 920.0 0.069 0.069 0.196 -0.000 0.000 0.000 3/47040 930.0 0.069 0.069 0.194 -0.000 0.000 0.000 3/47040 940.0 0.068 0.068 0.192 -0.000 0.000 0.000 3/47040 950.0 0.067 0.067 0.190 -0.000 0.000 0.000 3/47040 960.0 0.066 0.066 0.188 -0.000 0.000 0.000 3/47040 970.0 0.066 0.066 0.186 -0.000 0.000 0.000 3/47040 980.0 0.065 0.065 0.184 -0.000 0.000 0.000 3/47040 990.0 0.064 0.064 0.182 -0.000 0.000 0.000 3/47040 1000.0 0.064 0.064 0.180 -0.000 0.000 0.000 3/47040 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:27:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|