----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:44:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.302832830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062018939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.759525950000000 Atomic positions (fractional): *1 Ti 0.60675054412050 0.62607263628045 0.64186528261155 47.867 2 Ti 0.10675054412050 0.62607263628045 0.85813471738845 47.867 3 Ti 0.10675054412050 0.87392736371955 0.35813471738845 47.867 4 Ti 0.60675054412050 0.87392736371955 0.14186528261155 47.867 5 Ti 0.39324945587950 0.12607263628045 0.85813471738845 47.867 6 Ti 0.89324945587950 0.12607263628045 0.64186528261155 47.867 7 Ti 0.39324945587950 0.37392736371955 0.35813471738845 47.867 8 Ti 0.89324945587950 0.37392736371955 0.14186528261155 47.867 *9 Si 0.70742162115034 0.52352769370262 0.33368648789721 28.085 10 Si 0.20742162115034 0.52352769370262 0.16631351210279 28.085 *11 Si 0.44178075871765 0.72529204324187 0.33445748451681 28.085 12 Si 0.94178075871765 0.72529204324187 0.16554251548320 28.085 13 Si 0.44178075871765 0.77470795675813 0.83445748451681 28.085 14 Si 0.94178075871765 0.77470795675813 0.66554251548319 28.085 15 Si 0.70742162115034 0.97647230629738 0.83368648789721 28.085 16 Si 0.20742162115034 0.97647230629738 0.66631351210279 28.085 17 Si 0.79257837884966 0.02352769370262 0.33368648789721 28.085 18 Si 0.29257837884966 0.02352769370262 0.16631351210279 28.085 19 Si 0.05821924128235 0.22529204324187 0.33445748451681 28.085 20 Si 0.55821924128235 0.22529204324187 0.16554251548320 28.085 21 Si 0.05821924128235 0.27470795675813 0.83445748451681 28.085 22 Si 0.55821924128235 0.27470795675813 0.66554251548319 28.085 23 Si 0.79257837884966 0.47647230629738 0.83368648789721 28.085 24 Si 0.29257837884966 0.47647230629738 0.66631351210279 28.085 *25 O 0.95645053586059 0.55472693158883 0.24940450434279 15.999 26 O 0.45645053586059 0.55472693158883 0.25059549565721 15.999 *27 O 0.79608186310205 0.56777446743920 0.81734641342366 15.999 28 O 0.29608186310205 0.56777446743920 0.68265358657634 15.999 *29 O 0.71187970448344 0.55475942361401 0.50839860233925 15.999 30 O 0.21187970448344 0.55475942361401 0.99160139766075 15.999 *31 O 0.42456869393641 0.68320391999447 0.82159487007930 15.999 32 O 0.92456869393642 0.68320391999447 0.67840512992070 15.999 *33 O 0.98177458036008 0.69455338880965 0.99210862103024 15.999 34 O 0.48177458036008 0.69455338880965 0.50789137896976 15.999 *35 O 0.67743158589416 0.69515810224125 0.23403664183428 15.999 36 O 0.17743158589416 0.69515810224125 0.26596335816572 15.999 37 O 0.17743158589416 0.80484189775875 0.76596335816572 15.999 38 O 0.67743158589416 0.80484189775875 0.73403664183428 15.999 39 O 0.98177458036008 0.80544661119035 0.49210862103024 15.999 40 O 0.48177458036008 0.80544661119035 0.00789137896975 15.999 41 O 0.42456869393641 0.81679608000553 0.32159487007930 15.999 42 O 0.92456869393642 0.81679608000553 0.17840512992070 15.999 43 O 0.71187970448344 0.94524057638599 0.00839860233925 15.999 44 O 0.21187970448344 0.94524057638599 0.49160139766075 15.999 45 O 0.79608186310205 0.93222553256080 0.31734641342366 15.999 46 O 0.29608186310205 0.93222553256080 0.18265358657634 15.999 47 O 0.45645053586059 0.94527306841117 0.75059549565721 15.999 48 O 0.95645053586059 0.94527306841117 0.74940450434279 15.999 49 O 0.04354946413941 0.05472693158883 0.25059549565721 15.999 50 O 0.54354946413941 0.05472693158883 0.24940450434279 15.999 51 O 0.70391813689795 0.06777446743920 0.81734641342366 15.999 52 O 0.20391813689795 0.06777446743920 0.68265358657634 15.999 53 O 0.78812029551656 0.05475942361401 0.50839860233925 15.999 54 O 0.28812029551656 0.05475942361401 0.99160139766075 15.999 55 O 0.07543130606359 0.18320391999447 0.82159487007930 15.999 56 O 0.57543130606358 0.18320391999447 0.67840512992070 15.999 57 O 0.51822541963992 0.19455338880965 0.99210862103024 15.999 58 O 0.01822541963992 0.19455338880965 0.50789137896976 15.999 59 O 0.32256841410584 0.19515810224125 0.26596335816572 15.999 60 O 0.82256841410584 0.19515810224125 0.23403664183428 15.999 61 O 0.32256841410584 0.30484189775875 0.76596335816572 15.999 62 O 0.82256841410584 0.30484189775875 0.73403664183428 15.999 63 O 0.51822541963992 0.30544661119035 0.49210862103024 15.999 64 O 0.01822541963992 0.30544661119035 0.00789137896975 15.999 65 O 0.07543130606359 0.31679608000553 0.32159487007930 15.999 66 O 0.57543130606358 0.31679608000553 0.17840512992070 15.999 67 O 0.78812029551656 0.44524057638599 0.00839860233925 15.999 68 O 0.28812029551656 0.44524057638599 0.49160139766075 15.999 69 O 0.70391813689795 0.43222553256080 0.31734641342366 15.999 70 O 0.20391813689795 0.43222553256080 0.18265358657634 15.999 71 O 0.04354946413941 0.44527306841117 0.75059549565721 15.999 72 O 0.54354946413941 0.44527306841117 0.74940450434279 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.302832830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062018939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.759525950000000 Atomic positions (fractional): *1 Ti 0.60675054412050 0.62607263628045 0.64186528261155 47.867 > 1 2 Ti 0.10675054412050 0.62607263628045 0.85813471738845 47.867 > 2 3 Ti 0.10675054412050 0.87392736371955 0.35813471738845 47.867 > 3 4 Ti 0.60675054412050 0.87392736371955 0.14186528261155 47.867 > 4 5 Ti 0.39324945587950 0.12607263628045 0.85813471738845 47.867 > 5 6 Ti 0.89324945587950 0.12607263628045 0.64186528261155 47.867 > 6 7 Ti 0.39324945587950 0.37392736371955 0.35813471738845 47.867 > 7 8 Ti 0.89324945587950 0.37392736371955 0.14186528261155 47.867 > 8 *9 Si 0.70742162115034 0.52352769370262 0.33368648789721 28.085 > 9 10 Si 0.20742162115034 0.52352769370262 0.16631351210279 28.085 > 10 *11 Si 0.44178075871765 0.72529204324187 0.33445748451681 28.085 > 11 12 Si 0.94178075871765 0.72529204324187 0.16554251548320 28.085 > 12 13 Si 0.44178075871765 0.77470795675813 0.83445748451681 28.085 > 13 14 Si 0.94178075871765 0.77470795675813 0.66554251548319 28.085 > 14 15 Si 0.70742162115034 0.97647230629738 0.83368648789721 28.085 > 15 16 Si 0.20742162115034 0.97647230629738 0.66631351210279 28.085 > 16 17 Si 0.79257837884966 0.02352769370262 0.33368648789721 28.085 > 17 18 Si 0.29257837884966 0.02352769370262 0.16631351210279 28.085 > 18 19 Si 0.05821924128235 0.22529204324187 0.33445748451681 28.085 > 19 20 Si 0.55821924128235 0.22529204324187 0.16554251548320 28.085 > 20 21 Si 0.05821924128235 0.27470795675813 0.83445748451681 28.085 > 21 22 Si 0.55821924128235 0.27470795675813 0.66554251548319 28.085 > 22 23 Si 0.79257837884966 0.47647230629738 0.83368648789721 28.085 > 23 24 Si 0.29257837884966 0.47647230629738 0.66631351210279 28.085 > 24 *25 O 0.95645053586059 0.55472693158883 0.24940450434279 15.999 > 25 26 O 0.45645053586059 0.55472693158883 0.25059549565721 15.999 > 26 *27 O 0.79608186310205 0.56777446743920 0.81734641342366 15.999 > 27 28 O 0.29608186310205 0.56777446743920 0.68265358657634 15.999 > 28 *29 O 0.71187970448344 0.55475942361401 0.50839860233925 15.999 > 29 30 O 0.21187970448344 0.55475942361401 0.99160139766075 15.999 > 30 *31 O 0.42456869393641 0.68320391999447 0.82159487007930 15.999 > 31 32 O 0.92456869393642 0.68320391999447 0.67840512992070 15.999 > 32 *33 O 0.98177458036008 0.69455338880965 0.99210862103024 15.999 > 33 34 O 0.48177458036008 0.69455338880965 0.50789137896976 15.999 > 34 *35 O 0.67743158589416 0.69515810224125 0.23403664183428 15.999 > 35 36 O 0.17743158589416 0.69515810224125 0.26596335816572 15.999 > 36 37 O 0.17743158589416 0.80484189775875 0.76596335816572 15.999 > 37 38 O 0.67743158589416 0.80484189775875 0.73403664183428 15.999 > 38 39 O 0.98177458036008 0.80544661119035 0.49210862103024 15.999 > 39 40 O 0.48177458036008 0.80544661119035 0.00789137896975 15.999 > 40 41 O 0.42456869393641 0.81679608000553 0.32159487007930 15.999 > 41 42 O 0.92456869393642 0.81679608000553 0.17840512992070 15.999 > 42 43 O 0.71187970448344 0.94524057638599 0.00839860233925 15.999 > 43 44 O 0.21187970448344 0.94524057638599 0.49160139766075 15.999 > 44 45 O 0.79608186310205 0.93222553256080 0.31734641342366 15.999 > 45 46 O 0.29608186310205 0.93222553256080 0.18265358657634 15.999 > 46 47 O 0.45645053586059 0.94527306841117 0.75059549565721 15.999 > 47 48 O 0.95645053586059 0.94527306841117 0.74940450434279 15.999 > 48 49 O 0.04354946413941 0.05472693158883 0.25059549565721 15.999 > 49 50 O 0.54354946413941 0.05472693158883 0.24940450434279 15.999 > 50 51 O 0.70391813689795 0.06777446743920 0.81734641342366 15.999 > 51 52 O 0.20391813689795 0.06777446743920 0.68265358657634 15.999 > 52 53 O 0.78812029551656 0.05475942361401 0.50839860233925 15.999 > 53 54 O 0.28812029551656 0.05475942361401 0.99160139766075 15.999 > 54 55 O 0.07543130606359 0.18320391999447 0.82159487007930 15.999 > 55 56 O 0.57543130606358 0.18320391999447 0.67840512992070 15.999 > 56 57 O 0.51822541963992 0.19455338880965 0.99210862103024 15.999 > 57 58 O 0.01822541963992 0.19455338880965 0.50789137896976 15.999 > 58 59 O 0.32256841410584 0.19515810224125 0.26596335816572 15.999 > 59 60 O 0.82256841410584 0.19515810224125 0.23403664183428 15.999 > 60 61 O 0.32256841410584 0.30484189775875 0.76596335816572 15.999 > 61 62 O 0.82256841410584 0.30484189775875 0.73403664183428 15.999 > 62 63 O 0.51822541963992 0.30544661119035 0.49210862103024 15.999 > 63 64 O 0.01822541963992 0.30544661119035 0.00789137896975 15.999 > 64 65 O 0.07543130606359 0.31679608000553 0.32159487007930 15.999 > 65 66 O 0.57543130606358 0.31679608000553 0.17840512992070 15.999 > 66 67 O 0.78812029551656 0.44524057638599 0.00839860233925 15.999 > 67 68 O 0.28812029551656 0.44524057638599 0.49160139766075 15.999 > 68 69 O 0.70391813689795 0.43222553256080 0.31734641342366 15.999 > 69 70 O 0.20391813689795 0.43222553256080 0.18265358657634 15.999 > 70 71 O 0.04354946413941 0.44527306841117 0.75059549565721 15.999 > 71 72 O 0.54354946413941 0.44527306841117 0.74940450434279 15.999 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.605665660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062018939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.759525950000000 Atomic positions (fractional): *1 Ti 0.30337527206025 0.62607263628045 0.64186528261155 47.867 > 1 2 Ti 0.80337527206025 0.62607263628045 0.64186528261155 47.867 > 1 3 Ti 0.05337527206025 0.62607263628045 0.85813471738845 47.867 > 2 4 Ti 0.55337527206025 0.62607263628045 0.85813471738845 47.867 > 2 5 Ti 0.05337527206025 0.87392736371955 0.35813471738845 47.867 > 3 6 Ti 0.55337527206025 0.87392736371955 0.35813471738845 47.867 > 3 7 Ti 0.30337527206025 0.87392736371955 0.14186528261155 47.867 > 4 8 Ti 0.80337527206025 0.87392736371955 0.14186528261155 47.867 > 4 9 Ti 0.19662472793975 0.12607263628045 0.85813471738845 47.867 > 5 10 Ti 0.69662472793975 0.12607263628045 0.85813471738845 47.867 > 5 11 Ti 0.44662472793975 0.12607263628045 0.64186528261155 47.867 > 6 12 Ti 0.94662472793975 0.12607263628045 0.64186528261155 47.867 > 6 13 Ti 0.19662472793975 0.37392736371955 0.35813471738845 47.867 > 7 14 Ti 0.69662472793975 0.37392736371955 0.35813471738845 47.867 > 7 15 Ti 0.44662472793975 0.37392736371955 0.14186528261155 47.867 > 8 16 Ti 0.94662472793975 0.37392736371955 0.14186528261155 47.867 > 8 *17 Si 0.35371081057517 0.52352769370262 0.33368648789721 28.085 > 9 18 Si 0.85371081057517 0.52352769370262 0.33368648789721 28.085 > 9 19 Si 0.10371081057517 0.52352769370262 0.16631351210279 28.085 > 10 20 Si 0.60371081057517 0.52352769370262 0.16631351210279 28.085 > 10 *21 Si 0.22089037935883 0.72529204324187 0.33445748451681 28.085 > 11 22 Si 0.72089037935883 0.72529204324187 0.33445748451681 28.085 > 11 23 Si 0.47089037935883 0.72529204324187 0.16554251548320 28.085 > 12 24 Si 0.97089037935883 0.72529204324187 0.16554251548320 28.085 > 12 25 Si 0.22089037935883 0.77470795675813 0.83445748451681 28.085 > 13 26 Si 0.72089037935883 0.77470795675813 0.83445748451681 28.085 > 13 27 Si 0.47089037935883 0.77470795675813 0.66554251548319 28.085 > 14 28 Si 0.97089037935883 0.77470795675813 0.66554251548319 28.085 > 14 29 Si 0.35371081057517 0.97647230629738 0.83368648789721 28.085 > 15 30 Si 0.85371081057517 0.97647230629738 0.83368648789721 28.085 > 15 31 Si 0.10371081057517 0.97647230629738 0.66631351210279 28.085 > 16 32 Si 0.60371081057517 0.97647230629738 0.66631351210279 28.085 > 16 33 Si 0.39628918942483 0.02352769370262 0.33368648789721 28.085 > 17 34 Si 0.89628918942483 0.02352769370262 0.33368648789721 28.085 > 17 35 Si 0.14628918942483 0.02352769370262 0.16631351210279 28.085 > 18 36 Si 0.64628918942483 0.02352769370262 0.16631351210279 28.085 > 18 37 Si 0.02910962064117 0.22529204324187 0.33445748451681 28.085 > 19 38 Si 0.52910962064117 0.22529204324187 0.33445748451681 28.085 > 19 39 Si 0.27910962064117 0.22529204324187 0.16554251548320 28.085 > 20 40 Si 0.77910962064117 0.22529204324187 0.16554251548320 28.085 > 20 41 Si 0.02910962064117 0.27470795675813 0.83445748451681 28.085 > 21 42 Si 0.52910962064117 0.27470795675813 0.83445748451681 28.085 > 21 43 Si 0.27910962064117 0.27470795675813 0.66554251548319 28.085 > 22 44 Si 0.77910962064117 0.27470795675813 0.66554251548319 28.085 > 22 45 Si 0.39628918942483 0.47647230629738 0.83368648789721 28.085 > 23 46 Si 0.89628918942483 0.47647230629738 0.83368648789721 28.085 > 23 47 Si 0.14628918942483 0.47647230629738 0.66631351210279 28.085 > 24 48 Si 0.64628918942483 0.47647230629738 0.66631351210279 28.085 > 24 *49 O 0.47822526793030 0.55472693158883 0.24940450434279 15.999 > 25 50 O 0.97822526793030 0.55472693158883 0.24940450434279 15.999 > 25 51 O 0.22822526793030 0.55472693158883 0.25059549565721 15.999 > 26 52 O 0.72822526793030 0.55472693158883 0.25059549565721 15.999 > 26 *53 O 0.39804093155103 0.56777446743920 0.81734641342366 15.999 > 27 54 O 0.89804093155103 0.56777446743920 0.81734641342366 15.999 > 27 55 O 0.14804093155103 0.56777446743920 0.68265358657634 15.999 > 28 56 O 0.64804093155103 0.56777446743920 0.68265358657634 15.999 > 28 *57 O 0.35593985224172 0.55475942361401 0.50839860233925 15.999 > 29 58 O 0.85593985224172 0.55475942361401 0.50839860233925 15.999 > 29 59 O 0.10593985224172 0.55475942361401 0.99160139766075 15.999 > 30 60 O 0.60593985224172 0.55475942361401 0.99160139766075 15.999 > 30 *61 O 0.21228434696821 0.68320391999447 0.82159487007930 15.999 > 31 62 O 0.71228434696821 0.68320391999447 0.82159487007930 15.999 > 31 63 O 0.46228434696821 0.68320391999447 0.67840512992070 15.999 > 32 64 O 0.96228434696821 0.68320391999447 0.67840512992070 15.999 > 32 *65 O 0.49088729018004 0.69455338880965 0.99210862103024 15.999 > 33 66 O 0.99088729018004 0.69455338880965 0.99210862103024 15.999 > 33 67 O 0.24088729018004 0.69455338880965 0.50789137896976 15.999 > 34 68 O 0.74088729018004 0.69455338880965 0.50789137896976 15.999 > 34 *69 O 0.33871579294708 0.69515810224125 0.23403664183428 15.999 > 35 70 O 0.83871579294708 0.69515810224125 0.23403664183428 15.999 > 35 71 O 0.08871579294708 0.69515810224125 0.26596335816572 15.999 > 36 72 O 0.58871579294708 0.69515810224125 0.26596335816572 15.999 > 36 73 O 0.08871579294708 0.80484189775875 0.76596335816572 15.999 > 37 74 O 0.58871579294708 0.80484189775875 0.76596335816572 15.999 > 37 75 O 0.33871579294708 0.80484189775875 0.73403664183428 15.999 > 38 76 O 0.83871579294708 0.80484189775875 0.73403664183428 15.999 > 38 77 O 0.49088729018004 0.80544661119035 0.49210862103024 15.999 > 39 78 O 0.99088729018004 0.80544661119035 0.49210862103024 15.999 > 39 79 O 0.24088729018004 0.80544661119035 0.00789137896975 15.999 > 40 80 O 0.74088729018004 0.80544661119035 0.00789137896975 15.999 > 40 81 O 0.21228434696821 0.81679608000553 0.32159487007930 15.999 > 41 82 O 0.71228434696821 0.81679608000553 0.32159487007930 15.999 > 41 83 O 0.46228434696821 0.81679608000553 0.17840512992070 15.999 > 42 84 O 0.96228434696821 0.81679608000553 0.17840512992070 15.999 > 42 85 O 0.35593985224172 0.94524057638599 0.00839860233925 15.999 > 43 86 O 0.85593985224172 0.94524057638599 0.00839860233925 15.999 > 43 87 O 0.10593985224172 0.94524057638599 0.49160139766075 15.999 > 44 88 O 0.60593985224172 0.94524057638599 0.49160139766075 15.999 > 44 89 O 0.39804093155103 0.93222553256080 0.31734641342366 15.999 > 45 90 O 0.89804093155103 0.93222553256080 0.31734641342366 15.999 > 45 91 O 0.14804093155103 0.93222553256080 0.18265358657634 15.999 > 46 92 O 0.64804093155103 0.93222553256080 0.18265358657634 15.999 > 46 93 O 0.22822526793030 0.94527306841117 0.75059549565721 15.999 > 47 94 O 0.72822526793030 0.94527306841117 0.75059549565721 15.999 > 47 95 O 0.47822526793030 0.94527306841117 0.74940450434279 15.999 > 48 96 O 0.97822526793030 0.94527306841117 0.74940450434279 15.999 > 48 97 O 0.02177473206970 0.05472693158883 0.25059549565721 15.999 > 49 98 O 0.52177473206970 0.05472693158883 0.25059549565721 15.999 > 49 99 O 0.27177473206970 0.05472693158883 0.24940450434279 15.999 > 50 100 O 0.77177473206970 0.05472693158883 0.24940450434279 15.999 > 50 101 O 0.35195906844897 0.06777446743920 0.81734641342366 15.999 > 51 102 O 0.85195906844897 0.06777446743920 0.81734641342366 15.999 > 51 103 O 0.10195906844897 0.06777446743920 0.68265358657634 15.999 > 52 104 O 0.60195906844897 0.06777446743920 0.68265358657634 15.999 > 52 105 O 0.39406014775828 0.05475942361401 0.50839860233925 15.999 > 53 106 O 0.89406014775828 0.05475942361401 0.50839860233925 15.999 > 53 107 O 0.14406014775828 0.05475942361401 0.99160139766075 15.999 > 54 108 O 0.64406014775828 0.05475942361401 0.99160139766075 15.999 > 54 109 O 0.03771565303179 0.18320391999447 0.82159487007930 15.999 > 55 110 O 0.53771565303179 0.18320391999447 0.82159487007930 15.999 > 55 111 O 0.28771565303179 0.18320391999447 0.67840512992070 15.999 > 56 112 O 0.78771565303179 0.18320391999447 0.67840512992070 15.999 > 56 113 O 0.25911270981996 0.19455338880965 0.99210862103024 15.999 > 57 114 O 0.75911270981996 0.19455338880965 0.99210862103024 15.999 > 57 115 O 0.00911270981996 0.19455338880965 0.50789137896976 15.999 > 58 116 O 0.50911270981996 0.19455338880965 0.50789137896976 15.999 > 58 117 O 0.16128420705292 0.19515810224125 0.26596335816572 15.999 > 59 118 O 0.66128420705292 0.19515810224125 0.26596335816572 15.999 > 59 119 O 0.41128420705292 0.19515810224125 0.23403664183428 15.999 > 60 120 O 0.91128420705292 0.19515810224125 0.23403664183428 15.999 > 60 121 O 0.16128420705292 0.30484189775875 0.76596335816572 15.999 > 61 122 O 0.66128420705292 0.30484189775875 0.76596335816572 15.999 > 61 123 O 0.41128420705292 0.30484189775875 0.73403664183428 15.999 > 62 124 O 0.91128420705292 0.30484189775875 0.73403664183428 15.999 > 62 125 O 0.25911270981996 0.30544661119035 0.49210862103024 15.999 > 63 126 O 0.75911270981996 0.30544661119035 0.49210862103024 15.999 > 63 127 O 0.00911270981996 0.30544661119035 0.00789137896975 15.999 > 64 128 O 0.50911270981996 0.30544661119035 0.00789137896975 15.999 > 64 129 O 0.03771565303179 0.31679608000553 0.32159487007930 15.999 > 65 130 O 0.53771565303179 0.31679608000553 0.32159487007930 15.999 > 65 131 O 0.28771565303179 0.31679608000553 0.17840512992070 15.999 > 66 132 O 0.78771565303179 0.31679608000553 0.17840512992070 15.999 > 66 133 O 0.39406014775828 0.44524057638599 0.00839860233925 15.999 > 67 134 O 0.89406014775828 0.44524057638599 0.00839860233925 15.999 > 67 135 O 0.14406014775828 0.44524057638599 0.49160139766075 15.999 > 68 136 O 0.64406014775828 0.44524057638599 0.49160139766075 15.999 > 68 137 O 0.35195906844897 0.43222553256080 0.31734641342366 15.999 > 69 138 O 0.85195906844897 0.43222553256080 0.31734641342366 15.999 > 69 139 O 0.10195906844897 0.43222553256080 0.18265358657634 15.999 > 70 140 O 0.60195906844897 0.43222553256080 0.18265358657634 15.999 > 70 141 O 0.02177473206970 0.44527306841117 0.75059549565721 15.999 > 71 142 O 0.52177473206970 0.44527306841117 0.75059549565721 15.999 > 71 143 O 0.27177473206970 0.44527306841117 0.74940450434279 15.999 > 72 144 O 0.77177473206970 0.44527306841117 0.74940450434279 15.999 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5288607 0.0000000 0.0000000 0.0000000 3.8107040 0.0000000 0.0000000 0.0000000 3.7448049 -------------------------- Born effective charges -------------------------- 1 Ti 4.6560356 -0.3480652 0.2400593 -0.1591883 4.9000347 0.0260399 0.0980951 0.0260935 4.6866916 2 Ti 4.6560356 -0.3480652 -0.2400593 -0.1591883 4.9000347 -0.0260399 -0.0980951 -0.0260935 4.6866916 3 Ti 4.6560356 0.3480652 -0.2400593 0.1591883 4.9000347 0.0260399 -0.0980951 0.0260935 4.6866916 4 Ti 4.6560356 0.3480652 0.2400593 0.1591883 4.9000347 -0.0260399 0.0980951 -0.0260935 4.6866916 5 Ti 4.6560356 0.3480652 0.2400593 0.1591883 4.9000347 -0.0260399 0.0980951 -0.0260935 4.6866916 6 Ti 4.6560356 0.3480652 -0.2400593 0.1591883 4.9000347 0.0260399 -0.0980951 0.0260935 4.6866916 7 Ti 4.6560356 -0.3480652 0.2400593 -0.1591883 4.9000347 0.0260399 0.0980951 0.0260935 4.6866916 8 Ti 4.6560356 -0.3480652 -0.2400593 -0.1591883 4.9000347 -0.0260399 -0.0980951 -0.0260935 4.6866916 9 Si 3.4820090 0.2053471 -0.2227492 0.1118014 4.0262240 1.2499637 -0.0206383 0.5040158 3.9143750 10 Si 3.4820090 0.2053471 0.2227492 0.1118014 4.0262240 -1.2499637 0.0206383 -0.5040158 3.9143750 11 Si 3.5707972 -0.5685138 0.3996125 -0.2466234 4.0304739 -1.2466095 0.3664569 -0.5237162 3.9050170 12 Si 3.5707972 -0.5685138 -0.3996125 -0.2466234 4.0304739 1.2466095 -0.3664569 0.5237162 3.9050170 13 Si 3.5707972 0.5685138 0.3996125 0.2466234 4.0304739 1.2466095 0.3664569 0.5237162 3.9050170 14 Si 3.5707972 0.5685138 -0.3996125 0.2466234 4.0304739 -1.2466095 -0.3664569 -0.5237162 3.9050170 15 Si 3.4820090 -0.2053471 -0.2227492 -0.1118014 4.0262240 -1.2499637 -0.0206383 -0.5040158 3.9143750 16 Si 3.4820090 -0.2053471 0.2227492 -0.1118014 4.0262240 1.2499637 0.0206383 0.5040158 3.9143750 17 Si 3.4820090 -0.2053471 0.2227492 -0.1118014 4.0262240 1.2499637 0.0206383 0.5040158 3.9143750 18 Si 3.4820090 -0.2053471 -0.2227492 -0.1118014 4.0262240 -1.2499637 -0.0206383 -0.5040158 3.9143750 19 Si 3.5707972 0.5685138 -0.3996125 0.2466234 4.0304739 -1.2466095 -0.3664569 -0.5237162 3.9050170 20 Si 3.5707972 0.5685138 0.3996125 0.2466234 4.0304739 1.2466095 0.3664569 0.5237162 3.9050170 21 Si 3.5707972 -0.5685138 -0.3996125 -0.2466234 4.0304739 1.2466095 -0.3664569 0.5237162 3.9050170 22 Si 3.5707972 -0.5685138 0.3996125 -0.2466234 4.0304739 -1.2466095 0.3664569 -0.5237162 3.9050170 23 Si 3.4820090 0.2053471 0.2227492 0.1118014 4.0262240 -1.2499637 0.0206383 -0.5040158 3.9143750 24 Si 3.4820090 0.2053471 -0.2227492 0.1118014 4.0262240 1.2499637 -0.0206383 0.5040158 3.9143750 25 O -2.3545278 -0.0803039 0.7684488 0.0168435 -1.5181598 -0.0165700 0.9004730 0.0226212 -1.6754736 26 O -2.3545278 -0.0803039 -0.7684488 0.0168435 -1.5181598 0.0165700 -0.9004730 -0.0226212 -1.6754736 27 O -2.2617110 -0.2931421 -0.7181820 -0.4383037 -2.6034650 0.4388088 -0.7831750 0.3628085 -1.6189948 28 O -2.2617110 -0.2931421 0.7181820 -0.4383037 -2.6034650 -0.4388088 0.7831750 -0.3628085 -1.6189948 29 O -1.1199272 0.3078123 0.2854032 0.3554459 -2.3948109 -1.6455406 0.3944886 -1.4995955 -2.9428267 30 O -1.1199272 0.3078123 -0.2854032 0.3554459 -2.3948109 1.6455406 -0.3944886 1.4995955 -2.9428267 31 O -2.3400252 -0.5435965 0.5859746 -0.4993701 -2.6270969 -0.4605766 0.7004053 -0.3907573 -1.6391693 32 O -2.3400252 -0.5435965 -0.5859746 -0.4993701 -2.6270969 0.4605766 -0.7004053 0.3907573 -1.6391693 33 O -1.2711961 0.5871056 0.6343463 0.6295658 -2.3074945 -1.6362071 0.6869047 -1.4606618 -2.9604905 34 O -1.2711961 0.5871056 -0.6343463 0.6295658 -2.3074945 1.6362071 -0.6869047 1.4606618 -2.9604905 35 O -2.3614546 0.0948601 0.7389389 -0.0086976 -1.5057054 0.0917008 0.8700881 -0.0030914 -1.6691287 36 O -2.3614546 0.0948601 -0.7389389 -0.0086976 -1.5057054 -0.0917008 -0.8700881 0.0030914 -1.6691287 37 O -2.3614546 -0.0948601 -0.7389389 0.0086976 -1.5057054 0.0917008 -0.8700881 -0.0030914 -1.6691287 38 O -2.3614546 -0.0948601 0.7389389 0.0086976 -1.5057054 -0.0917008 0.8700881 0.0030914 -1.6691287 39 O -1.2711961 -0.5871056 0.6343463 -0.6295658 -2.3074945 1.6362071 0.6869047 1.4606618 -2.9604905 40 O -1.2711961 -0.5871056 -0.6343463 -0.6295658 -2.3074945 -1.6362071 -0.6869047 -1.4606618 -2.9604905 41 O -2.3400252 0.5435965 0.5859746 0.4993701 -2.6270969 0.4605766 0.7004053 0.3907573 -1.6391693 42 O -2.3400252 0.5435965 -0.5859746 0.4993701 -2.6270969 -0.4605766 -0.7004053 -0.3907573 -1.6391693 43 O -1.1199272 -0.3078123 0.2854032 -0.3554459 -2.3948109 1.6455406 0.3944886 1.4995955 -2.9428267 44 O -1.1199272 -0.3078123 -0.2854032 -0.3554459 -2.3948109 -1.6455406 -0.3944886 -1.4995955 -2.9428267 45 O -2.2617110 0.2931421 -0.7181820 0.4383037 -2.6034650 -0.4388088 -0.7831750 -0.3628085 -1.6189948 46 O -2.2617110 0.2931421 0.7181820 0.4383037 -2.6034650 0.4388088 0.7831750 0.3628085 -1.6189948 47 O -2.3545278 0.0803039 -0.7684488 -0.0168435 -1.5181598 -0.0165700 -0.9004730 0.0226212 -1.6754736 48 O -2.3545278 0.0803039 0.7684488 -0.0168435 -1.5181598 0.0165700 0.9004730 -0.0226212 -1.6754736 49 O -2.3545278 0.0803039 0.7684488 -0.0168435 -1.5181598 0.0165700 0.9004730 -0.0226212 -1.6754736 50 O -2.3545278 0.0803039 -0.7684488 -0.0168435 -1.5181598 -0.0165700 -0.9004730 0.0226212 -1.6754736 51 O -2.2617110 0.2931421 0.7181820 0.4383037 -2.6034650 0.4388088 0.7831750 0.3628085 -1.6189948 52 O -2.2617110 0.2931421 -0.7181820 0.4383037 -2.6034650 -0.4388088 -0.7831750 -0.3628085 -1.6189948 53 O -1.1199272 -0.3078123 -0.2854032 -0.3554459 -2.3948109 -1.6455406 -0.3944886 -1.4995955 -2.9428267 54 O -1.1199272 -0.3078123 0.2854032 -0.3554459 -2.3948109 1.6455406 0.3944886 1.4995955 -2.9428267 55 O -2.3400252 0.5435965 -0.5859746 0.4993701 -2.6270969 -0.4605766 -0.7004053 -0.3907573 -1.6391693 56 O -2.3400252 0.5435965 0.5859746 0.4993701 -2.6270969 0.4605766 0.7004053 0.3907573 -1.6391693 57 O -1.2711961 -0.5871056 -0.6343463 -0.6295658 -2.3074945 -1.6362071 -0.6869047 -1.4606618 -2.9604905 58 O -1.2711961 -0.5871056 0.6343463 -0.6295658 -2.3074945 1.6362071 0.6869047 1.4606618 -2.9604905 59 O -2.3614546 -0.0948601 0.7389389 0.0086976 -1.5057054 -0.0917008 0.8700881 0.0030914 -1.6691287 60 O -2.3614546 -0.0948601 -0.7389389 0.0086976 -1.5057054 0.0917008 -0.8700881 -0.0030914 -1.6691287 61 O -2.3614546 0.0948601 0.7389389 -0.0086976 -1.5057054 0.0917008 0.8700881 -0.0030914 -1.6691287 62 O -2.3614546 0.0948601 -0.7389389 -0.0086976 -1.5057054 -0.0917008 -0.8700881 0.0030914 -1.6691287 63 O -1.2711961 0.5871056 -0.6343463 0.6295658 -2.3074945 1.6362071 -0.6869047 1.4606618 -2.9604905 64 O -1.2711961 0.5871056 0.6343463 0.6295658 -2.3074945 -1.6362071 0.6869047 -1.4606618 -2.9604905 65 O -2.3400252 -0.5435965 -0.5859746 -0.4993701 -2.6270969 0.4605766 -0.7004053 0.3907573 -1.6391693 66 O -2.3400252 -0.5435965 0.5859746 -0.4993701 -2.6270969 -0.4605766 0.7004053 -0.3907573 -1.6391693 67 O -1.1199272 0.3078123 -0.2854032 0.3554459 -2.3948109 1.6455406 -0.3944886 1.4995955 -2.9428267 68 O -1.1199272 0.3078123 0.2854032 0.3554459 -2.3948109 -1.6455406 0.3944886 -1.4995955 -2.9428267 69 O -2.2617110 -0.2931421 0.7181820 -0.4383037 -2.6034650 -0.4388088 0.7831750 -0.3628085 -1.6189948 70 O -2.2617110 -0.2931421 -0.7181820 -0.4383037 -2.6034650 0.4388088 -0.7831750 0.3628085 -1.6189948 71 O -2.3545278 -0.0803039 0.7684488 0.0168435 -1.5181598 -0.0165700 0.9004730 0.0226212 -1.6754736 72 O -2.3545278 -0.0803039 -0.7684488 0.0168435 -1.5181598 0.0165700 -0.9004730 -0.0226212 -1.6754736 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 279 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 279 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 279), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 235), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 279), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.870 Solver_block: 200 / 1120 - Time: 1.661 Solver_block: 300 / 1120 - Time: 1.660 Solver_block: 400 / 1120 - Time: 1.660 Solver_block: 500 / 1120 - Time: 1.659 Solver_block: 600 / 1120 - Time: 1.655 Solver_block: 700 / 1120 - Time: 1.659 Solver_block: 800 / 1120 - Time: 1.664 Solver_block: 900 / 1120 - Time: 1.656 Solver_block: 1000 / 1120 - Time: 1.656 Solver_block: 1100 / 1120 - Time: 1.661 Solver_block: 1120 / 1120 - Time: 0.553 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.526 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 279 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 279 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 279), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 235), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 279), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:45:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:45:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.302832830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062018939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.759525950000000 Atomic positions (fractional): 1 Ti 0.60675054412050 0.62607263628045 0.64186528261155 47.867 2 Ti 0.10675054412050 0.62607263628045 0.85813471738845 47.867 3 Ti 0.10675054412050 0.87392736371955 0.35813471738845 47.867 4 Ti 0.60675054412050 0.87392736371955 0.14186528261155 47.867 5 Ti 0.39324945587950 0.12607263628045 0.85813471738845 47.867 6 Ti 0.89324945587950 0.12607263628045 0.64186528261155 47.867 7 Ti 0.39324945587950 0.37392736371955 0.35813471738845 47.867 8 Ti 0.89324945587950 0.37392736371955 0.14186528261155 47.867 9 Si 0.70742162115034 0.52352769370262 0.33368648789721 28.085 10 Si 0.20742162115034 0.52352769370262 0.16631351210279 28.085 11 Si 0.44178075871765 0.72529204324187 0.33445748451681 28.085 12 Si 0.94178075871765 0.72529204324187 0.16554251548320 28.085 13 Si 0.44178075871765 0.77470795675813 0.83445748451681 28.085 14 Si 0.94178075871765 0.77470795675813 0.66554251548319 28.085 15 Si 0.70742162115034 0.97647230629738 0.83368648789721 28.085 16 Si 0.20742162115034 0.97647230629738 0.66631351210279 28.085 17 Si 0.79257837884966 0.02352769370262 0.33368648789721 28.085 18 Si 0.29257837884966 0.02352769370262 0.16631351210279 28.085 19 Si 0.05821924128235 0.22529204324187 0.33445748451681 28.085 20 Si 0.55821924128235 0.22529204324187 0.16554251548320 28.085 21 Si 0.05821924128235 0.27470795675813 0.83445748451681 28.085 22 Si 0.55821924128235 0.27470795675813 0.66554251548319 28.085 23 Si 0.79257837884966 0.47647230629738 0.83368648789721 28.085 24 Si 0.29257837884966 0.47647230629738 0.66631351210279 28.085 25 O 0.95645053586059 0.55472693158883 0.24940450434279 15.999 26 O 0.45645053586059 0.55472693158883 0.25059549565721 15.999 27 O 0.79608186310205 0.56777446743920 0.81734641342366 15.999 28 O 0.29608186310205 0.56777446743920 0.68265358657634 15.999 29 O 0.71187970448344 0.55475942361401 0.50839860233925 15.999 30 O 0.21187970448344 0.55475942361401 0.99160139766075 15.999 31 O 0.42456869393641 0.68320391999447 0.82159487007930 15.999 32 O 0.92456869393642 0.68320391999447 0.67840512992070 15.999 33 O 0.98177458036008 0.69455338880965 0.99210862103024 15.999 34 O 0.48177458036008 0.69455338880965 0.50789137896976 15.999 35 O 0.67743158589416 0.69515810224125 0.23403664183428 15.999 36 O 0.17743158589416 0.69515810224125 0.26596335816572 15.999 37 O 0.17743158589416 0.80484189775875 0.76596335816572 15.999 38 O 0.67743158589416 0.80484189775875 0.73403664183428 15.999 39 O 0.98177458036008 0.80544661119035 0.49210862103024 15.999 40 O 0.48177458036008 0.80544661119035 0.00789137896975 15.999 41 O 0.42456869393641 0.81679608000553 0.32159487007930 15.999 42 O 0.92456869393642 0.81679608000553 0.17840512992070 15.999 43 O 0.71187970448344 0.94524057638599 0.00839860233925 15.999 44 O 0.21187970448344 0.94524057638599 0.49160139766075 15.999 45 O 0.79608186310205 0.93222553256080 0.31734641342366 15.999 46 O 0.29608186310205 0.93222553256080 0.18265358657634 15.999 47 O 0.45645053586059 0.94527306841117 0.75059549565721 15.999 48 O 0.95645053586059 0.94527306841117 0.74940450434279 15.999 49 O 0.04354946413941 0.05472693158883 0.25059549565721 15.999 50 O 0.54354946413941 0.05472693158883 0.24940450434279 15.999 51 O 0.70391813689795 0.06777446743920 0.81734641342366 15.999 52 O 0.20391813689795 0.06777446743920 0.68265358657634 15.999 53 O 0.78812029551656 0.05475942361401 0.50839860233925 15.999 54 O 0.28812029551656 0.05475942361401 0.99160139766075 15.999 55 O 0.07543130606359 0.18320391999447 0.82159487007930 15.999 56 O 0.57543130606358 0.18320391999447 0.67840512992070 15.999 57 O 0.51822541963992 0.19455338880965 0.99210862103024 15.999 58 O 0.01822541963992 0.19455338880965 0.50789137896976 15.999 59 O 0.32256841410584 0.19515810224125 0.26596335816572 15.999 60 O 0.82256841410584 0.19515810224125 0.23403664183428 15.999 61 O 0.32256841410584 0.30484189775875 0.76596335816572 15.999 62 O 0.82256841410584 0.30484189775875 0.73403664183428 15.999 63 O 0.51822541963992 0.30544661119035 0.49210862103024 15.999 64 O 0.01822541963992 0.30544661119035 0.00789137896975 15.999 65 O 0.07543130606359 0.31679608000553 0.32159487007930 15.999 66 O 0.57543130606358 0.31679608000553 0.17840512992070 15.999 67 O 0.78812029551656 0.44524057638599 0.00839860233925 15.999 68 O 0.28812029551656 0.44524057638599 0.49160139766075 15.999 69 O 0.70391813689795 0.43222553256080 0.31734641342366 15.999 70 O 0.20391813689795 0.43222553256080 0.18265358657634 15.999 71 O 0.04354946413941 0.44527306841117 0.75059549565721 15.999 72 O 0.54354946413941 0.44527306841117 0.74940450434279 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.605665660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062018939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.759525950000000 Atomic positions (fractional): 1 Ti 0.30337527206025 0.62607263628045 0.64186528261155 47.867 > 1 2 Ti 0.80337527206025 0.62607263628045 0.64186528261155 47.867 > 1 3 Ti 0.05337527206025 0.62607263628045 0.85813471738845 47.867 > 3 4 Ti 0.55337527206025 0.62607263628045 0.85813471738845 47.867 > 3 5 Ti 0.05337527206025 0.87392736371955 0.35813471738845 47.867 > 5 6 Ti 0.55337527206025 0.87392736371955 0.35813471738845 47.867 > 5 7 Ti 0.30337527206025 0.87392736371955 0.14186528261155 47.867 > 7 8 Ti 0.80337527206025 0.87392736371955 0.14186528261155 47.867 > 7 9 Ti 0.19662472793975 0.12607263628045 0.85813471738845 47.867 > 9 10 Ti 0.69662472793975 0.12607263628045 0.85813471738845 47.867 > 9 11 Ti 0.44662472793975 0.12607263628045 0.64186528261155 47.867 > 11 12 Ti 0.94662472793975 0.12607263628045 0.64186528261155 47.867 > 11 13 Ti 0.19662472793975 0.37392736371955 0.35813471738845 47.867 > 13 14 Ti 0.69662472793975 0.37392736371955 0.35813471738845 47.867 > 13 15 Ti 0.44662472793975 0.37392736371955 0.14186528261155 47.867 > 15 16 Ti 0.94662472793975 0.37392736371955 0.14186528261155 47.867 > 15 17 Si 0.35371081057517 0.52352769370262 0.33368648789721 28.085 > 17 18 Si 0.85371081057517 0.52352769370262 0.33368648789721 28.085 > 17 19 Si 0.10371081057517 0.52352769370262 0.16631351210279 28.085 > 19 20 Si 0.60371081057517 0.52352769370262 0.16631351210279 28.085 > 19 21 Si 0.22089037935883 0.72529204324187 0.33445748451681 28.085 > 21 22 Si 0.72089037935883 0.72529204324187 0.33445748451681 28.085 > 21 23 Si 0.47089037935883 0.72529204324187 0.16554251548320 28.085 > 23 24 Si 0.97089037935883 0.72529204324187 0.16554251548320 28.085 > 23 25 Si 0.22089037935883 0.77470795675813 0.83445748451681 28.085 > 25 26 Si 0.72089037935883 0.77470795675813 0.83445748451681 28.085 > 25 27 Si 0.47089037935883 0.77470795675813 0.66554251548319 28.085 > 27 28 Si 0.97089037935883 0.77470795675813 0.66554251548319 28.085 > 27 29 Si 0.35371081057517 0.97647230629738 0.83368648789721 28.085 > 29 30 Si 0.85371081057517 0.97647230629738 0.83368648789721 28.085 > 29 31 Si 0.10371081057517 0.97647230629738 0.66631351210279 28.085 > 31 32 Si 0.60371081057517 0.97647230629738 0.66631351210279 28.085 > 31 33 Si 0.39628918942483 0.02352769370262 0.33368648789721 28.085 > 33 34 Si 0.89628918942483 0.02352769370262 0.33368648789721 28.085 > 33 35 Si 0.14628918942483 0.02352769370262 0.16631351210279 28.085 > 35 36 Si 0.64628918942483 0.02352769370262 0.16631351210279 28.085 > 35 37 Si 0.02910962064117 0.22529204324187 0.33445748451681 28.085 > 37 38 Si 0.52910962064117 0.22529204324187 0.33445748451681 28.085 > 37 39 Si 0.27910962064117 0.22529204324187 0.16554251548320 28.085 > 39 40 Si 0.77910962064117 0.22529204324187 0.16554251548320 28.085 > 39 41 Si 0.02910962064117 0.27470795675813 0.83445748451681 28.085 > 41 42 Si 0.52910962064117 0.27470795675813 0.83445748451681 28.085 > 41 43 Si 0.27910962064117 0.27470795675813 0.66554251548319 28.085 > 43 44 Si 0.77910962064117 0.27470795675813 0.66554251548319 28.085 > 43 45 Si 0.39628918942483 0.47647230629738 0.83368648789721 28.085 > 45 46 Si 0.89628918942483 0.47647230629738 0.83368648789721 28.085 > 45 47 Si 0.14628918942483 0.47647230629738 0.66631351210279 28.085 > 47 48 Si 0.64628918942483 0.47647230629738 0.66631351210279 28.085 > 47 49 O 0.47822526793030 0.55472693158883 0.24940450434279 15.999 > 49 50 O 0.97822526793030 0.55472693158883 0.24940450434279 15.999 > 49 51 O 0.22822526793030 0.55472693158883 0.25059549565721 15.999 > 51 52 O 0.72822526793030 0.55472693158883 0.25059549565721 15.999 > 51 53 O 0.39804093155103 0.56777446743920 0.81734641342366 15.999 > 53 54 O 0.89804093155103 0.56777446743920 0.81734641342366 15.999 > 53 55 O 0.14804093155103 0.56777446743920 0.68265358657634 15.999 > 55 56 O 0.64804093155103 0.56777446743920 0.68265358657634 15.999 > 55 57 O 0.35593985224172 0.55475942361401 0.50839860233925 15.999 > 57 58 O 0.85593985224172 0.55475942361401 0.50839860233925 15.999 > 57 59 O 0.10593985224172 0.55475942361401 0.99160139766075 15.999 > 59 60 O 0.60593985224172 0.55475942361401 0.99160139766075 15.999 > 59 61 O 0.21228434696821 0.68320391999447 0.82159487007930 15.999 > 61 62 O 0.71228434696821 0.68320391999447 0.82159487007930 15.999 > 61 63 O 0.46228434696821 0.68320391999447 0.67840512992070 15.999 > 63 64 O 0.96228434696821 0.68320391999447 0.67840512992070 15.999 > 63 65 O 0.49088729018004 0.69455338880965 0.99210862103024 15.999 > 65 66 O 0.99088729018004 0.69455338880965 0.99210862103024 15.999 > 65 67 O 0.24088729018004 0.69455338880965 0.50789137896976 15.999 > 67 68 O 0.74088729018004 0.69455338880965 0.50789137896976 15.999 > 67 69 O 0.33871579294708 0.69515810224125 0.23403664183428 15.999 > 69 70 O 0.83871579294708 0.69515810224125 0.23403664183428 15.999 > 69 71 O 0.08871579294708 0.69515810224125 0.26596335816572 15.999 > 71 72 O 0.58871579294708 0.69515810224125 0.26596335816572 15.999 > 71 73 O 0.08871579294708 0.80484189775875 0.76596335816572 15.999 > 73 74 O 0.58871579294708 0.80484189775875 0.76596335816572 15.999 > 73 75 O 0.33871579294708 0.80484189775875 0.73403664183428 15.999 > 75 76 O 0.83871579294708 0.80484189775875 0.73403664183428 15.999 > 75 77 O 0.49088729018004 0.80544661119035 0.49210862103024 15.999 > 77 78 O 0.99088729018004 0.80544661119035 0.49210862103024 15.999 > 77 79 O 0.24088729018004 0.80544661119035 0.00789137896975 15.999 > 79 80 O 0.74088729018004 0.80544661119035 0.00789137896975 15.999 > 79 81 O 0.21228434696821 0.81679608000553 0.32159487007930 15.999 > 81 82 O 0.71228434696821 0.81679608000553 0.32159487007930 15.999 > 81 83 O 0.46228434696821 0.81679608000553 0.17840512992070 15.999 > 83 84 O 0.96228434696821 0.81679608000553 0.17840512992070 15.999 > 83 85 O 0.35593985224172 0.94524057638599 0.00839860233925 15.999 > 85 86 O 0.85593985224172 0.94524057638599 0.00839860233925 15.999 > 85 87 O 0.10593985224172 0.94524057638599 0.49160139766075 15.999 > 87 88 O 0.60593985224172 0.94524057638599 0.49160139766075 15.999 > 87 89 O 0.39804093155103 0.93222553256080 0.31734641342366 15.999 > 89 90 O 0.89804093155103 0.93222553256080 0.31734641342366 15.999 > 89 91 O 0.14804093155103 0.93222553256080 0.18265358657634 15.999 > 91 92 O 0.64804093155103 0.93222553256080 0.18265358657634 15.999 > 91 93 O 0.22822526793030 0.94527306841117 0.75059549565721 15.999 > 93 94 O 0.72822526793030 0.94527306841117 0.75059549565721 15.999 > 93 95 O 0.47822526793030 0.94527306841117 0.74940450434279 15.999 > 95 96 O 0.97822526793030 0.94527306841117 0.74940450434279 15.999 > 95 97 O 0.02177473206970 0.05472693158883 0.25059549565721 15.999 > 97 98 O 0.52177473206970 0.05472693158883 0.25059549565721 15.999 > 97 99 O 0.27177473206970 0.05472693158883 0.24940450434279 15.999 > 99 100 O 0.77177473206970 0.05472693158883 0.24940450434279 15.999 > 99 101 O 0.35195906844897 0.06777446743920 0.81734641342366 15.999 > 101 102 O 0.85195906844897 0.06777446743920 0.81734641342366 15.999 > 101 103 O 0.10195906844897 0.06777446743920 0.68265358657634 15.999 > 103 104 O 0.60195906844897 0.06777446743920 0.68265358657634 15.999 > 103 105 O 0.39406014775828 0.05475942361401 0.50839860233925 15.999 > 105 106 O 0.89406014775828 0.05475942361401 0.50839860233925 15.999 > 105 107 O 0.14406014775828 0.05475942361401 0.99160139766075 15.999 > 107 108 O 0.64406014775828 0.05475942361401 0.99160139766075 15.999 > 107 109 O 0.03771565303179 0.18320391999447 0.82159487007930 15.999 > 109 110 O 0.53771565303179 0.18320391999447 0.82159487007930 15.999 > 109 111 O 0.28771565303179 0.18320391999447 0.67840512992070 15.999 > 111 112 O 0.78771565303179 0.18320391999447 0.67840512992070 15.999 > 111 113 O 0.25911270981996 0.19455338880965 0.99210862103024 15.999 > 113 114 O 0.75911270981996 0.19455338880965 0.99210862103024 15.999 > 113 115 O 0.00911270981996 0.19455338880965 0.50789137896976 15.999 > 115 116 O 0.50911270981996 0.19455338880965 0.50789137896976 15.999 > 115 117 O 0.16128420705292 0.19515810224125 0.26596335816572 15.999 > 117 118 O 0.66128420705292 0.19515810224125 0.26596335816572 15.999 > 117 119 O 0.41128420705292 0.19515810224125 0.23403664183428 15.999 > 119 120 O 0.91128420705292 0.19515810224125 0.23403664183428 15.999 > 119 121 O 0.16128420705292 0.30484189775875 0.76596335816572 15.999 > 121 122 O 0.66128420705292 0.30484189775875 0.76596335816572 15.999 > 121 123 O 0.41128420705292 0.30484189775875 0.73403664183428 15.999 > 123 124 O 0.91128420705292 0.30484189775875 0.73403664183428 15.999 > 123 125 O 0.25911270981996 0.30544661119035 0.49210862103024 15.999 > 125 126 O 0.75911270981996 0.30544661119035 0.49210862103024 15.999 > 125 127 O 0.00911270981996 0.30544661119035 0.00789137896975 15.999 > 127 128 O 0.50911270981996 0.30544661119035 0.00789137896975 15.999 > 127 129 O 0.03771565303179 0.31679608000553 0.32159487007930 15.999 > 129 130 O 0.53771565303179 0.31679608000553 0.32159487007930 15.999 > 129 131 O 0.28771565303179 0.31679608000553 0.17840512992070 15.999 > 131 132 O 0.78771565303179 0.31679608000553 0.17840512992070 15.999 > 131 133 O 0.39406014775828 0.44524057638599 0.00839860233925 15.999 > 133 134 O 0.89406014775828 0.44524057638599 0.00839860233925 15.999 > 133 135 O 0.14406014775828 0.44524057638599 0.49160139766075 15.999 > 135 136 O 0.64406014775828 0.44524057638599 0.49160139766075 15.999 > 135 137 O 0.35195906844897 0.43222553256080 0.31734641342366 15.999 > 137 138 O 0.85195906844897 0.43222553256080 0.31734641342366 15.999 > 137 139 O 0.10195906844897 0.43222553256080 0.18265358657634 15.999 > 139 140 O 0.60195906844897 0.43222553256080 0.18265358657634 15.999 > 139 141 O 0.02177473206970 0.44527306841117 0.75059549565721 15.999 > 141 142 O 0.52177473206970 0.44527306841117 0.75059549565721 15.999 > 141 143 O 0.27177473206970 0.44527306841117 0.74940450434279 15.999 > 143 144 O 0.77177473206970 0.44527306841117 0.74940450434279 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5288607 0.0000000 0.0000000 0.0000000 3.8107040 0.0000000 0.0000000 0.0000000 3.7448049 -------------------------- Born effective charges -------------------------- 1 Ti 4.6560356 -0.3480652 0.2400593 -0.1591883 4.9000347 0.0260399 0.0980951 0.0260935 4.6866916 2 Ti 4.6560356 -0.3480652 -0.2400593 -0.1591883 4.9000347 -0.0260399 -0.0980951 -0.0260935 4.6866916 3 Ti 4.6560356 0.3480652 -0.2400593 0.1591883 4.9000347 0.0260399 -0.0980951 0.0260935 4.6866916 4 Ti 4.6560356 0.3480652 0.2400593 0.1591883 4.9000347 -0.0260399 0.0980951 -0.0260935 4.6866916 5 Ti 4.6560356 0.3480652 0.2400593 0.1591883 4.9000347 -0.0260399 0.0980951 -0.0260935 4.6866916 6 Ti 4.6560356 0.3480652 -0.2400593 0.1591883 4.9000347 0.0260399 -0.0980951 0.0260935 4.6866916 7 Ti 4.6560356 -0.3480652 0.2400593 -0.1591883 4.9000347 0.0260399 0.0980951 0.0260935 4.6866916 8 Ti 4.6560356 -0.3480652 -0.2400593 -0.1591883 4.9000347 -0.0260399 -0.0980951 -0.0260935 4.6866916 9 Si 3.4820090 0.2053471 -0.2227492 0.1118014 4.0262240 1.2499637 -0.0206383 0.5040158 3.9143750 10 Si 3.4820090 0.2053471 0.2227492 0.1118014 4.0262240 -1.2499637 0.0206383 -0.5040158 3.9143750 11 Si 3.5707972 -0.5685138 0.3996125 -0.2466234 4.0304739 -1.2466095 0.3664569 -0.5237162 3.9050170 12 Si 3.5707972 -0.5685138 -0.3996125 -0.2466234 4.0304739 1.2466095 -0.3664569 0.5237162 3.9050170 13 Si 3.5707972 0.5685138 0.3996125 0.2466234 4.0304739 1.2466095 0.3664569 0.5237162 3.9050170 14 Si 3.5707972 0.5685138 -0.3996125 0.2466234 4.0304739 -1.2466095 -0.3664569 -0.5237162 3.9050170 15 Si 3.4820090 -0.2053471 -0.2227492 -0.1118014 4.0262240 -1.2499637 -0.0206383 -0.5040158 3.9143750 16 Si 3.4820090 -0.2053471 0.2227492 -0.1118014 4.0262240 1.2499637 0.0206383 0.5040158 3.9143750 17 Si 3.4820090 -0.2053471 0.2227492 -0.1118014 4.0262240 1.2499637 0.0206383 0.5040158 3.9143750 18 Si 3.4820090 -0.2053471 -0.2227492 -0.1118014 4.0262240 -1.2499637 -0.0206383 -0.5040158 3.9143750 19 Si 3.5707972 0.5685138 -0.3996125 0.2466234 4.0304739 -1.2466095 -0.3664569 -0.5237162 3.9050170 20 Si 3.5707972 0.5685138 0.3996125 0.2466234 4.0304739 1.2466095 0.3664569 0.5237162 3.9050170 21 Si 3.5707972 -0.5685138 -0.3996125 -0.2466234 4.0304739 1.2466095 -0.3664569 0.5237162 3.9050170 22 Si 3.5707972 -0.5685138 0.3996125 -0.2466234 4.0304739 -1.2466095 0.3664569 -0.5237162 3.9050170 23 Si 3.4820090 0.2053471 0.2227492 0.1118014 4.0262240 -1.2499637 0.0206383 -0.5040158 3.9143750 24 Si 3.4820090 0.2053471 -0.2227492 0.1118014 4.0262240 1.2499637 -0.0206383 0.5040158 3.9143750 25 O -2.3545278 -0.0803039 0.7684488 0.0168435 -1.5181598 -0.0165700 0.9004730 0.0226212 -1.6754736 26 O -2.3545278 -0.0803039 -0.7684488 0.0168435 -1.5181598 0.0165700 -0.9004730 -0.0226212 -1.6754736 27 O -2.2617110 -0.2931421 -0.7181820 -0.4383037 -2.6034650 0.4388088 -0.7831750 0.3628085 -1.6189948 28 O -2.2617110 -0.2931421 0.7181820 -0.4383037 -2.6034650 -0.4388088 0.7831750 -0.3628085 -1.6189948 29 O -1.1199272 0.3078123 0.2854032 0.3554459 -2.3948109 -1.6455406 0.3944886 -1.4995955 -2.9428267 30 O -1.1199272 0.3078123 -0.2854032 0.3554459 -2.3948109 1.6455406 -0.3944886 1.4995955 -2.9428267 31 O -2.3400252 -0.5435965 0.5859746 -0.4993701 -2.6270969 -0.4605766 0.7004053 -0.3907573 -1.6391693 32 O -2.3400252 -0.5435965 -0.5859746 -0.4993701 -2.6270969 0.4605766 -0.7004053 0.3907573 -1.6391693 33 O -1.2711961 0.5871056 0.6343463 0.6295658 -2.3074945 -1.6362071 0.6869047 -1.4606618 -2.9604905 34 O -1.2711961 0.5871056 -0.6343463 0.6295658 -2.3074945 1.6362071 -0.6869047 1.4606618 -2.9604905 35 O -2.3614546 0.0948601 0.7389389 -0.0086976 -1.5057054 0.0917008 0.8700881 -0.0030914 -1.6691287 36 O -2.3614546 0.0948601 -0.7389389 -0.0086976 -1.5057054 -0.0917008 -0.8700881 0.0030914 -1.6691287 37 O -2.3614546 -0.0948601 -0.7389389 0.0086976 -1.5057054 0.0917008 -0.8700881 -0.0030914 -1.6691287 38 O -2.3614546 -0.0948601 0.7389389 0.0086976 -1.5057054 -0.0917008 0.8700881 0.0030914 -1.6691287 39 O -1.2711961 -0.5871056 0.6343463 -0.6295658 -2.3074945 1.6362071 0.6869047 1.4606618 -2.9604905 40 O -1.2711961 -0.5871056 -0.6343463 -0.6295658 -2.3074945 -1.6362071 -0.6869047 -1.4606618 -2.9604905 41 O -2.3400252 0.5435965 0.5859746 0.4993701 -2.6270969 0.4605766 0.7004053 0.3907573 -1.6391693 42 O -2.3400252 0.5435965 -0.5859746 0.4993701 -2.6270969 -0.4605766 -0.7004053 -0.3907573 -1.6391693 43 O -1.1199272 -0.3078123 0.2854032 -0.3554459 -2.3948109 1.6455406 0.3944886 1.4995955 -2.9428267 44 O -1.1199272 -0.3078123 -0.2854032 -0.3554459 -2.3948109 -1.6455406 -0.3944886 -1.4995955 -2.9428267 45 O -2.2617110 0.2931421 -0.7181820 0.4383037 -2.6034650 -0.4388088 -0.7831750 -0.3628085 -1.6189948 46 O -2.2617110 0.2931421 0.7181820 0.4383037 -2.6034650 0.4388088 0.7831750 0.3628085 -1.6189948 47 O -2.3545278 0.0803039 -0.7684488 -0.0168435 -1.5181598 -0.0165700 -0.9004730 0.0226212 -1.6754736 48 O -2.3545278 0.0803039 0.7684488 -0.0168435 -1.5181598 0.0165700 0.9004730 -0.0226212 -1.6754736 49 O -2.3545278 0.0803039 0.7684488 -0.0168435 -1.5181598 0.0165700 0.9004730 -0.0226212 -1.6754736 50 O -2.3545278 0.0803039 -0.7684488 -0.0168435 -1.5181598 -0.0165700 -0.9004730 0.0226212 -1.6754736 51 O -2.2617110 0.2931421 0.7181820 0.4383037 -2.6034650 0.4388088 0.7831750 0.3628085 -1.6189948 52 O -2.2617110 0.2931421 -0.7181820 0.4383037 -2.6034650 -0.4388088 -0.7831750 -0.3628085 -1.6189948 53 O -1.1199272 -0.3078123 -0.2854032 -0.3554459 -2.3948109 -1.6455406 -0.3944886 -1.4995955 -2.9428267 54 O -1.1199272 -0.3078123 0.2854032 -0.3554459 -2.3948109 1.6455406 0.3944886 1.4995955 -2.9428267 55 O -2.3400252 0.5435965 -0.5859746 0.4993701 -2.6270969 -0.4605766 -0.7004053 -0.3907573 -1.6391693 56 O -2.3400252 0.5435965 0.5859746 0.4993701 -2.6270969 0.4605766 0.7004053 0.3907573 -1.6391693 57 O -1.2711961 -0.5871056 -0.6343463 -0.6295658 -2.3074945 -1.6362071 -0.6869047 -1.4606618 -2.9604905 58 O -1.2711961 -0.5871056 0.6343463 -0.6295658 -2.3074945 1.6362071 0.6869047 1.4606618 -2.9604905 59 O -2.3614546 -0.0948601 0.7389389 0.0086976 -1.5057054 -0.0917008 0.8700881 0.0030914 -1.6691287 60 O -2.3614546 -0.0948601 -0.7389389 0.0086976 -1.5057054 0.0917008 -0.8700881 -0.0030914 -1.6691287 61 O -2.3614546 0.0948601 0.7389389 -0.0086976 -1.5057054 0.0917008 0.8700881 -0.0030914 -1.6691287 62 O -2.3614546 0.0948601 -0.7389389 -0.0086976 -1.5057054 -0.0917008 -0.8700881 0.0030914 -1.6691287 63 O -1.2711961 0.5871056 -0.6343463 0.6295658 -2.3074945 1.6362071 -0.6869047 1.4606618 -2.9604905 64 O -1.2711961 0.5871056 0.6343463 0.6295658 -2.3074945 -1.6362071 0.6869047 -1.4606618 -2.9604905 65 O -2.3400252 -0.5435965 -0.5859746 -0.4993701 -2.6270969 0.4605766 -0.7004053 0.3907573 -1.6391693 66 O -2.3400252 -0.5435965 0.5859746 -0.4993701 -2.6270969 -0.4605766 0.7004053 -0.3907573 -1.6391693 67 O -1.1199272 0.3078123 -0.2854032 0.3554459 -2.3948109 1.6455406 -0.3944886 1.4995955 -2.9428267 68 O -1.1199272 0.3078123 0.2854032 0.3554459 -2.3948109 -1.6455406 0.3944886 -1.4995955 -2.9428267 69 O -2.2617110 -0.2931421 0.7181820 -0.4383037 -2.6034650 -0.4388088 0.7831750 -0.3628085 -1.6189948 70 O -2.2617110 -0.2931421 -0.7181820 -0.4383037 -2.6034650 0.4388088 -0.7831750 0.3628085 -1.6189948 71 O -2.3545278 -0.0803039 0.7684488 0.0168435 -1.5181598 -0.0165700 0.9004730 0.0226212 -1.6754736 72 O -2.3545278 -0.0803039 -0.7684488 0.0168435 -1.5181598 0.0165700 -0.9004730 -0.0226212 -1.6754736 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:47:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:47:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.302832830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062018939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.759525950000000 Atomic positions (fractional): 1 Ti 0.60675054412050 0.62607263628045 0.64186528261155 47.867 2 Ti 0.10675054412050 0.62607263628045 0.85813471738845 47.867 3 Ti 0.10675054412050 0.87392736371955 0.35813471738845 47.867 4 Ti 0.60675054412050 0.87392736371955 0.14186528261155 47.867 5 Ti 0.39324945587950 0.12607263628045 0.85813471738845 47.867 6 Ti 0.89324945587950 0.12607263628045 0.64186528261155 47.867 7 Ti 0.39324945587950 0.37392736371955 0.35813471738845 47.867 8 Ti 0.89324945587950 0.37392736371955 0.14186528261155 47.867 9 Si 0.70742162115034 0.52352769370262 0.33368648789721 28.085 10 Si 0.20742162115034 0.52352769370262 0.16631351210279 28.085 11 Si 0.44178075871765 0.72529204324187 0.33445748451681 28.085 12 Si 0.94178075871765 0.72529204324187 0.16554251548320 28.085 13 Si 0.44178075871765 0.77470795675813 0.83445748451681 28.085 14 Si 0.94178075871765 0.77470795675813 0.66554251548319 28.085 15 Si 0.70742162115034 0.97647230629738 0.83368648789721 28.085 16 Si 0.20742162115034 0.97647230629738 0.66631351210279 28.085 17 Si 0.79257837884966 0.02352769370262 0.33368648789721 28.085 18 Si 0.29257837884966 0.02352769370262 0.16631351210279 28.085 19 Si 0.05821924128235 0.22529204324187 0.33445748451681 28.085 20 Si 0.55821924128235 0.22529204324187 0.16554251548320 28.085 21 Si 0.05821924128235 0.27470795675813 0.83445748451681 28.085 22 Si 0.55821924128235 0.27470795675813 0.66554251548319 28.085 23 Si 0.79257837884966 0.47647230629738 0.83368648789721 28.085 24 Si 0.29257837884966 0.47647230629738 0.66631351210279 28.085 25 O 0.95645053586059 0.55472693158883 0.24940450434279 15.999 26 O 0.45645053586059 0.55472693158883 0.25059549565721 15.999 27 O 0.79608186310205 0.56777446743920 0.81734641342366 15.999 28 O 0.29608186310205 0.56777446743920 0.68265358657634 15.999 29 O 0.71187970448344 0.55475942361401 0.50839860233925 15.999 30 O 0.21187970448344 0.55475942361401 0.99160139766075 15.999 31 O 0.42456869393641 0.68320391999447 0.82159487007930 15.999 32 O 0.92456869393642 0.68320391999447 0.67840512992070 15.999 33 O 0.98177458036008 0.69455338880965 0.99210862103024 15.999 34 O 0.48177458036008 0.69455338880965 0.50789137896976 15.999 35 O 0.67743158589416 0.69515810224125 0.23403664183428 15.999 36 O 0.17743158589416 0.69515810224125 0.26596335816572 15.999 37 O 0.17743158589416 0.80484189775875 0.76596335816572 15.999 38 O 0.67743158589416 0.80484189775875 0.73403664183428 15.999 39 O 0.98177458036008 0.80544661119035 0.49210862103024 15.999 40 O 0.48177458036008 0.80544661119035 0.00789137896975 15.999 41 O 0.42456869393641 0.81679608000553 0.32159487007930 15.999 42 O 0.92456869393642 0.81679608000553 0.17840512992070 15.999 43 O 0.71187970448344 0.94524057638599 0.00839860233925 15.999 44 O 0.21187970448344 0.94524057638599 0.49160139766075 15.999 45 O 0.79608186310205 0.93222553256080 0.31734641342366 15.999 46 O 0.29608186310205 0.93222553256080 0.18265358657634 15.999 47 O 0.45645053586059 0.94527306841117 0.75059549565721 15.999 48 O 0.95645053586059 0.94527306841117 0.74940450434279 15.999 49 O 0.04354946413941 0.05472693158883 0.25059549565721 15.999 50 O 0.54354946413941 0.05472693158883 0.24940450434279 15.999 51 O 0.70391813689795 0.06777446743920 0.81734641342366 15.999 52 O 0.20391813689795 0.06777446743920 0.68265358657634 15.999 53 O 0.78812029551656 0.05475942361401 0.50839860233925 15.999 54 O 0.28812029551656 0.05475942361401 0.99160139766075 15.999 55 O 0.07543130606359 0.18320391999447 0.82159487007930 15.999 56 O 0.57543130606358 0.18320391999447 0.67840512992070 15.999 57 O 0.51822541963992 0.19455338880965 0.99210862103024 15.999 58 O 0.01822541963992 0.19455338880965 0.50789137896976 15.999 59 O 0.32256841410584 0.19515810224125 0.26596335816572 15.999 60 O 0.82256841410584 0.19515810224125 0.23403664183428 15.999 61 O 0.32256841410584 0.30484189775875 0.76596335816572 15.999 62 O 0.82256841410584 0.30484189775875 0.73403664183428 15.999 63 O 0.51822541963992 0.30544661119035 0.49210862103024 15.999 64 O 0.01822541963992 0.30544661119035 0.00789137896975 15.999 65 O 0.07543130606359 0.31679608000553 0.32159487007930 15.999 66 O 0.57543130606358 0.31679608000553 0.17840512992070 15.999 67 O 0.78812029551656 0.44524057638599 0.00839860233925 15.999 68 O 0.28812029551656 0.44524057638599 0.49160139766075 15.999 69 O 0.70391813689795 0.43222553256080 0.31734641342366 15.999 70 O 0.20391813689795 0.43222553256080 0.18265358657634 15.999 71 O 0.04354946413941 0.44527306841117 0.75059549565721 15.999 72 O 0.54354946413941 0.44527306841117 0.74940450434279 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.605665660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062018939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.759525950000000 Atomic positions (fractional): 1 Ti 0.30337527206025 0.62607263628045 0.64186528261155 47.867 > 1 2 Ti 0.80337527206025 0.62607263628045 0.64186528261155 47.867 > 1 3 Ti 0.05337527206025 0.62607263628045 0.85813471738845 47.867 > 3 4 Ti 0.55337527206025 0.62607263628045 0.85813471738845 47.867 > 3 5 Ti 0.05337527206025 0.87392736371955 0.35813471738845 47.867 > 5 6 Ti 0.55337527206025 0.87392736371955 0.35813471738845 47.867 > 5 7 Ti 0.30337527206025 0.87392736371955 0.14186528261155 47.867 > 7 8 Ti 0.80337527206025 0.87392736371955 0.14186528261155 47.867 > 7 9 Ti 0.19662472793975 0.12607263628045 0.85813471738845 47.867 > 9 10 Ti 0.69662472793975 0.12607263628045 0.85813471738845 47.867 > 9 11 Ti 0.44662472793975 0.12607263628045 0.64186528261155 47.867 > 11 12 Ti 0.94662472793975 0.12607263628045 0.64186528261155 47.867 > 11 13 Ti 0.19662472793975 0.37392736371955 0.35813471738845 47.867 > 13 14 Ti 0.69662472793975 0.37392736371955 0.35813471738845 47.867 > 13 15 Ti 0.44662472793975 0.37392736371955 0.14186528261155 47.867 > 15 16 Ti 0.94662472793975 0.37392736371955 0.14186528261155 47.867 > 15 17 Si 0.35371081057517 0.52352769370262 0.33368648789721 28.085 > 17 18 Si 0.85371081057517 0.52352769370262 0.33368648789721 28.085 > 17 19 Si 0.10371081057517 0.52352769370262 0.16631351210279 28.085 > 19 20 Si 0.60371081057517 0.52352769370262 0.16631351210279 28.085 > 19 21 Si 0.22089037935883 0.72529204324187 0.33445748451681 28.085 > 21 22 Si 0.72089037935883 0.72529204324187 0.33445748451681 28.085 > 21 23 Si 0.47089037935883 0.72529204324187 0.16554251548320 28.085 > 23 24 Si 0.97089037935883 0.72529204324187 0.16554251548320 28.085 > 23 25 Si 0.22089037935883 0.77470795675813 0.83445748451681 28.085 > 25 26 Si 0.72089037935883 0.77470795675813 0.83445748451681 28.085 > 25 27 Si 0.47089037935883 0.77470795675813 0.66554251548319 28.085 > 27 28 Si 0.97089037935883 0.77470795675813 0.66554251548319 28.085 > 27 29 Si 0.35371081057517 0.97647230629738 0.83368648789721 28.085 > 29 30 Si 0.85371081057517 0.97647230629738 0.83368648789721 28.085 > 29 31 Si 0.10371081057517 0.97647230629738 0.66631351210279 28.085 > 31 32 Si 0.60371081057517 0.97647230629738 0.66631351210279 28.085 > 31 33 Si 0.39628918942483 0.02352769370262 0.33368648789721 28.085 > 33 34 Si 0.89628918942483 0.02352769370262 0.33368648789721 28.085 > 33 35 Si 0.14628918942483 0.02352769370262 0.16631351210279 28.085 > 35 36 Si 0.64628918942483 0.02352769370262 0.16631351210279 28.085 > 35 37 Si 0.02910962064117 0.22529204324187 0.33445748451681 28.085 > 37 38 Si 0.52910962064117 0.22529204324187 0.33445748451681 28.085 > 37 39 Si 0.27910962064117 0.22529204324187 0.16554251548320 28.085 > 39 40 Si 0.77910962064117 0.22529204324187 0.16554251548320 28.085 > 39 41 Si 0.02910962064117 0.27470795675813 0.83445748451681 28.085 > 41 42 Si 0.52910962064117 0.27470795675813 0.83445748451681 28.085 > 41 43 Si 0.27910962064117 0.27470795675813 0.66554251548319 28.085 > 43 44 Si 0.77910962064117 0.27470795675813 0.66554251548319 28.085 > 43 45 Si 0.39628918942483 0.47647230629738 0.83368648789721 28.085 > 45 46 Si 0.89628918942483 0.47647230629738 0.83368648789721 28.085 > 45 47 Si 0.14628918942483 0.47647230629738 0.66631351210279 28.085 > 47 48 Si 0.64628918942483 0.47647230629738 0.66631351210279 28.085 > 47 49 O 0.47822526793030 0.55472693158883 0.24940450434279 15.999 > 49 50 O 0.97822526793030 0.55472693158883 0.24940450434279 15.999 > 49 51 O 0.22822526793030 0.55472693158883 0.25059549565721 15.999 > 51 52 O 0.72822526793030 0.55472693158883 0.25059549565721 15.999 > 51 53 O 0.39804093155103 0.56777446743920 0.81734641342366 15.999 > 53 54 O 0.89804093155103 0.56777446743920 0.81734641342366 15.999 > 53 55 O 0.14804093155103 0.56777446743920 0.68265358657634 15.999 > 55 56 O 0.64804093155103 0.56777446743920 0.68265358657634 15.999 > 55 57 O 0.35593985224172 0.55475942361401 0.50839860233925 15.999 > 57 58 O 0.85593985224172 0.55475942361401 0.50839860233925 15.999 > 57 59 O 0.10593985224172 0.55475942361401 0.99160139766075 15.999 > 59 60 O 0.60593985224172 0.55475942361401 0.99160139766075 15.999 > 59 61 O 0.21228434696821 0.68320391999447 0.82159487007930 15.999 > 61 62 O 0.71228434696821 0.68320391999447 0.82159487007930 15.999 > 61 63 O 0.46228434696821 0.68320391999447 0.67840512992070 15.999 > 63 64 O 0.96228434696821 0.68320391999447 0.67840512992070 15.999 > 63 65 O 0.49088729018004 0.69455338880965 0.99210862103024 15.999 > 65 66 O 0.99088729018004 0.69455338880965 0.99210862103024 15.999 > 65 67 O 0.24088729018004 0.69455338880965 0.50789137896976 15.999 > 67 68 O 0.74088729018004 0.69455338880965 0.50789137896976 15.999 > 67 69 O 0.33871579294708 0.69515810224125 0.23403664183428 15.999 > 69 70 O 0.83871579294708 0.69515810224125 0.23403664183428 15.999 > 69 71 O 0.08871579294708 0.69515810224125 0.26596335816572 15.999 > 71 72 O 0.58871579294708 0.69515810224125 0.26596335816572 15.999 > 71 73 O 0.08871579294708 0.80484189775875 0.76596335816572 15.999 > 73 74 O 0.58871579294708 0.80484189775875 0.76596335816572 15.999 > 73 75 O 0.33871579294708 0.80484189775875 0.73403664183428 15.999 > 75 76 O 0.83871579294708 0.80484189775875 0.73403664183428 15.999 > 75 77 O 0.49088729018004 0.80544661119035 0.49210862103024 15.999 > 77 78 O 0.99088729018004 0.80544661119035 0.49210862103024 15.999 > 77 79 O 0.24088729018004 0.80544661119035 0.00789137896975 15.999 > 79 80 O 0.74088729018004 0.80544661119035 0.00789137896975 15.999 > 79 81 O 0.21228434696821 0.81679608000553 0.32159487007930 15.999 > 81 82 O 0.71228434696821 0.81679608000553 0.32159487007930 15.999 > 81 83 O 0.46228434696821 0.81679608000553 0.17840512992070 15.999 > 83 84 O 0.96228434696821 0.81679608000553 0.17840512992070 15.999 > 83 85 O 0.35593985224172 0.94524057638599 0.00839860233925 15.999 > 85 86 O 0.85593985224172 0.94524057638599 0.00839860233925 15.999 > 85 87 O 0.10593985224172 0.94524057638599 0.49160139766075 15.999 > 87 88 O 0.60593985224172 0.94524057638599 0.49160139766075 15.999 > 87 89 O 0.39804093155103 0.93222553256080 0.31734641342366 15.999 > 89 90 O 0.89804093155103 0.93222553256080 0.31734641342366 15.999 > 89 91 O 0.14804093155103 0.93222553256080 0.18265358657634 15.999 > 91 92 O 0.64804093155103 0.93222553256080 0.18265358657634 15.999 > 91 93 O 0.22822526793030 0.94527306841117 0.75059549565721 15.999 > 93 94 O 0.72822526793030 0.94527306841117 0.75059549565721 15.999 > 93 95 O 0.47822526793030 0.94527306841117 0.74940450434279 15.999 > 95 96 O 0.97822526793030 0.94527306841117 0.74940450434279 15.999 > 95 97 O 0.02177473206970 0.05472693158883 0.25059549565721 15.999 > 97 98 O 0.52177473206970 0.05472693158883 0.25059549565721 15.999 > 97 99 O 0.27177473206970 0.05472693158883 0.24940450434279 15.999 > 99 100 O 0.77177473206970 0.05472693158883 0.24940450434279 15.999 > 99 101 O 0.35195906844897 0.06777446743920 0.81734641342366 15.999 > 101 102 O 0.85195906844897 0.06777446743920 0.81734641342366 15.999 > 101 103 O 0.10195906844897 0.06777446743920 0.68265358657634 15.999 > 103 104 O 0.60195906844897 0.06777446743920 0.68265358657634 15.999 > 103 105 O 0.39406014775828 0.05475942361401 0.50839860233925 15.999 > 105 106 O 0.89406014775828 0.05475942361401 0.50839860233925 15.999 > 105 107 O 0.14406014775828 0.05475942361401 0.99160139766075 15.999 > 107 108 O 0.64406014775828 0.05475942361401 0.99160139766075 15.999 > 107 109 O 0.03771565303179 0.18320391999447 0.82159487007930 15.999 > 109 110 O 0.53771565303179 0.18320391999447 0.82159487007930 15.999 > 109 111 O 0.28771565303179 0.18320391999447 0.67840512992070 15.999 > 111 112 O 0.78771565303179 0.18320391999447 0.67840512992070 15.999 > 111 113 O 0.25911270981996 0.19455338880965 0.99210862103024 15.999 > 113 114 O 0.75911270981996 0.19455338880965 0.99210862103024 15.999 > 113 115 O 0.00911270981996 0.19455338880965 0.50789137896976 15.999 > 115 116 O 0.50911270981996 0.19455338880965 0.50789137896976 15.999 > 115 117 O 0.16128420705292 0.19515810224125 0.26596335816572 15.999 > 117 118 O 0.66128420705292 0.19515810224125 0.26596335816572 15.999 > 117 119 O 0.41128420705292 0.19515810224125 0.23403664183428 15.999 > 119 120 O 0.91128420705292 0.19515810224125 0.23403664183428 15.999 > 119 121 O 0.16128420705292 0.30484189775875 0.76596335816572 15.999 > 121 122 O 0.66128420705292 0.30484189775875 0.76596335816572 15.999 > 121 123 O 0.41128420705292 0.30484189775875 0.73403664183428 15.999 > 123 124 O 0.91128420705292 0.30484189775875 0.73403664183428 15.999 > 123 125 O 0.25911270981996 0.30544661119035 0.49210862103024 15.999 > 125 126 O 0.75911270981996 0.30544661119035 0.49210862103024 15.999 > 125 127 O 0.00911270981996 0.30544661119035 0.00789137896975 15.999 > 127 128 O 0.50911270981996 0.30544661119035 0.00789137896975 15.999 > 127 129 O 0.03771565303179 0.31679608000553 0.32159487007930 15.999 > 129 130 O 0.53771565303179 0.31679608000553 0.32159487007930 15.999 > 129 131 O 0.28771565303179 0.31679608000553 0.17840512992070 15.999 > 131 132 O 0.78771565303179 0.31679608000553 0.17840512992070 15.999 > 131 133 O 0.39406014775828 0.44524057638599 0.00839860233925 15.999 > 133 134 O 0.89406014775828 0.44524057638599 0.00839860233925 15.999 > 133 135 O 0.14406014775828 0.44524057638599 0.49160139766075 15.999 > 135 136 O 0.64406014775828 0.44524057638599 0.49160139766075 15.999 > 135 137 O 0.35195906844897 0.43222553256080 0.31734641342366 15.999 > 137 138 O 0.85195906844897 0.43222553256080 0.31734641342366 15.999 > 137 139 O 0.10195906844897 0.43222553256080 0.18265358657634 15.999 > 139 140 O 0.60195906844897 0.43222553256080 0.18265358657634 15.999 > 139 141 O 0.02177473206970 0.44527306841117 0.75059549565721 15.999 > 141 142 O 0.52177473206970 0.44527306841117 0.75059549565721 15.999 > 141 143 O 0.27177473206970 0.44527306841117 0.74940450434279 15.999 > 143 144 O 0.77177473206970 0.44527306841117 0.74940450434279 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5288607 0.0000000 0.0000000 0.0000000 3.8107040 0.0000000 0.0000000 0.0000000 3.7448049 -------------------------- Born effective charges -------------------------- 1 Ti 4.6560356 -0.3480652 0.2400593 -0.1591883 4.9000347 0.0260399 0.0980951 0.0260935 4.6866916 2 Ti 4.6560356 -0.3480652 -0.2400593 -0.1591883 4.9000347 -0.0260399 -0.0980951 -0.0260935 4.6866916 3 Ti 4.6560356 0.3480652 -0.2400593 0.1591883 4.9000347 0.0260399 -0.0980951 0.0260935 4.6866916 4 Ti 4.6560356 0.3480652 0.2400593 0.1591883 4.9000347 -0.0260399 0.0980951 -0.0260935 4.6866916 5 Ti 4.6560356 0.3480652 0.2400593 0.1591883 4.9000347 -0.0260399 0.0980951 -0.0260935 4.6866916 6 Ti 4.6560356 0.3480652 -0.2400593 0.1591883 4.9000347 0.0260399 -0.0980951 0.0260935 4.6866916 7 Ti 4.6560356 -0.3480652 0.2400593 -0.1591883 4.9000347 0.0260399 0.0980951 0.0260935 4.6866916 8 Ti 4.6560356 -0.3480652 -0.2400593 -0.1591883 4.9000347 -0.0260399 -0.0980951 -0.0260935 4.6866916 9 Si 3.4820090 0.2053471 -0.2227492 0.1118014 4.0262240 1.2499637 -0.0206383 0.5040158 3.9143750 10 Si 3.4820090 0.2053471 0.2227492 0.1118014 4.0262240 -1.2499637 0.0206383 -0.5040158 3.9143750 11 Si 3.5707972 -0.5685138 0.3996125 -0.2466234 4.0304739 -1.2466095 0.3664569 -0.5237162 3.9050170 12 Si 3.5707972 -0.5685138 -0.3996125 -0.2466234 4.0304739 1.2466095 -0.3664569 0.5237162 3.9050170 13 Si 3.5707972 0.5685138 0.3996125 0.2466234 4.0304739 1.2466095 0.3664569 0.5237162 3.9050170 14 Si 3.5707972 0.5685138 -0.3996125 0.2466234 4.0304739 -1.2466095 -0.3664569 -0.5237162 3.9050170 15 Si 3.4820090 -0.2053471 -0.2227492 -0.1118014 4.0262240 -1.2499637 -0.0206383 -0.5040158 3.9143750 16 Si 3.4820090 -0.2053471 0.2227492 -0.1118014 4.0262240 1.2499637 0.0206383 0.5040158 3.9143750 17 Si 3.4820090 -0.2053471 0.2227492 -0.1118014 4.0262240 1.2499637 0.0206383 0.5040158 3.9143750 18 Si 3.4820090 -0.2053471 -0.2227492 -0.1118014 4.0262240 -1.2499637 -0.0206383 -0.5040158 3.9143750 19 Si 3.5707972 0.5685138 -0.3996125 0.2466234 4.0304739 -1.2466095 -0.3664569 -0.5237162 3.9050170 20 Si 3.5707972 0.5685138 0.3996125 0.2466234 4.0304739 1.2466095 0.3664569 0.5237162 3.9050170 21 Si 3.5707972 -0.5685138 -0.3996125 -0.2466234 4.0304739 1.2466095 -0.3664569 0.5237162 3.9050170 22 Si 3.5707972 -0.5685138 0.3996125 -0.2466234 4.0304739 -1.2466095 0.3664569 -0.5237162 3.9050170 23 Si 3.4820090 0.2053471 0.2227492 0.1118014 4.0262240 -1.2499637 0.0206383 -0.5040158 3.9143750 24 Si 3.4820090 0.2053471 -0.2227492 0.1118014 4.0262240 1.2499637 -0.0206383 0.5040158 3.9143750 25 O -2.3545278 -0.0803039 0.7684488 0.0168435 -1.5181598 -0.0165700 0.9004730 0.0226212 -1.6754736 26 O -2.3545278 -0.0803039 -0.7684488 0.0168435 -1.5181598 0.0165700 -0.9004730 -0.0226212 -1.6754736 27 O -2.2617110 -0.2931421 -0.7181820 -0.4383037 -2.6034650 0.4388088 -0.7831750 0.3628085 -1.6189948 28 O -2.2617110 -0.2931421 0.7181820 -0.4383037 -2.6034650 -0.4388088 0.7831750 -0.3628085 -1.6189948 29 O -1.1199272 0.3078123 0.2854032 0.3554459 -2.3948109 -1.6455406 0.3944886 -1.4995955 -2.9428267 30 O -1.1199272 0.3078123 -0.2854032 0.3554459 -2.3948109 1.6455406 -0.3944886 1.4995955 -2.9428267 31 O -2.3400252 -0.5435965 0.5859746 -0.4993701 -2.6270969 -0.4605766 0.7004053 -0.3907573 -1.6391693 32 O -2.3400252 -0.5435965 -0.5859746 -0.4993701 -2.6270969 0.4605766 -0.7004053 0.3907573 -1.6391693 33 O -1.2711961 0.5871056 0.6343463 0.6295658 -2.3074945 -1.6362071 0.6869047 -1.4606618 -2.9604905 34 O -1.2711961 0.5871056 -0.6343463 0.6295658 -2.3074945 1.6362071 -0.6869047 1.4606618 -2.9604905 35 O -2.3614546 0.0948601 0.7389389 -0.0086976 -1.5057054 0.0917008 0.8700881 -0.0030914 -1.6691287 36 O -2.3614546 0.0948601 -0.7389389 -0.0086976 -1.5057054 -0.0917008 -0.8700881 0.0030914 -1.6691287 37 O -2.3614546 -0.0948601 -0.7389389 0.0086976 -1.5057054 0.0917008 -0.8700881 -0.0030914 -1.6691287 38 O -2.3614546 -0.0948601 0.7389389 0.0086976 -1.5057054 -0.0917008 0.8700881 0.0030914 -1.6691287 39 O -1.2711961 -0.5871056 0.6343463 -0.6295658 -2.3074945 1.6362071 0.6869047 1.4606618 -2.9604905 40 O -1.2711961 -0.5871056 -0.6343463 -0.6295658 -2.3074945 -1.6362071 -0.6869047 -1.4606618 -2.9604905 41 O -2.3400252 0.5435965 0.5859746 0.4993701 -2.6270969 0.4605766 0.7004053 0.3907573 -1.6391693 42 O -2.3400252 0.5435965 -0.5859746 0.4993701 -2.6270969 -0.4605766 -0.7004053 -0.3907573 -1.6391693 43 O -1.1199272 -0.3078123 0.2854032 -0.3554459 -2.3948109 1.6455406 0.3944886 1.4995955 -2.9428267 44 O -1.1199272 -0.3078123 -0.2854032 -0.3554459 -2.3948109 -1.6455406 -0.3944886 -1.4995955 -2.9428267 45 O -2.2617110 0.2931421 -0.7181820 0.4383037 -2.6034650 -0.4388088 -0.7831750 -0.3628085 -1.6189948 46 O -2.2617110 0.2931421 0.7181820 0.4383037 -2.6034650 0.4388088 0.7831750 0.3628085 -1.6189948 47 O -2.3545278 0.0803039 -0.7684488 -0.0168435 -1.5181598 -0.0165700 -0.9004730 0.0226212 -1.6754736 48 O -2.3545278 0.0803039 0.7684488 -0.0168435 -1.5181598 0.0165700 0.9004730 -0.0226212 -1.6754736 49 O -2.3545278 0.0803039 0.7684488 -0.0168435 -1.5181598 0.0165700 0.9004730 -0.0226212 -1.6754736 50 O -2.3545278 0.0803039 -0.7684488 -0.0168435 -1.5181598 -0.0165700 -0.9004730 0.0226212 -1.6754736 51 O -2.2617110 0.2931421 0.7181820 0.4383037 -2.6034650 0.4388088 0.7831750 0.3628085 -1.6189948 52 O -2.2617110 0.2931421 -0.7181820 0.4383037 -2.6034650 -0.4388088 -0.7831750 -0.3628085 -1.6189948 53 O -1.1199272 -0.3078123 -0.2854032 -0.3554459 -2.3948109 -1.6455406 -0.3944886 -1.4995955 -2.9428267 54 O -1.1199272 -0.3078123 0.2854032 -0.3554459 -2.3948109 1.6455406 0.3944886 1.4995955 -2.9428267 55 O -2.3400252 0.5435965 -0.5859746 0.4993701 -2.6270969 -0.4605766 -0.7004053 -0.3907573 -1.6391693 56 O -2.3400252 0.5435965 0.5859746 0.4993701 -2.6270969 0.4605766 0.7004053 0.3907573 -1.6391693 57 O -1.2711961 -0.5871056 -0.6343463 -0.6295658 -2.3074945 -1.6362071 -0.6869047 -1.4606618 -2.9604905 58 O -1.2711961 -0.5871056 0.6343463 -0.6295658 -2.3074945 1.6362071 0.6869047 1.4606618 -2.9604905 59 O -2.3614546 -0.0948601 0.7389389 0.0086976 -1.5057054 -0.0917008 0.8700881 0.0030914 -1.6691287 60 O -2.3614546 -0.0948601 -0.7389389 0.0086976 -1.5057054 0.0917008 -0.8700881 -0.0030914 -1.6691287 61 O -2.3614546 0.0948601 0.7389389 -0.0086976 -1.5057054 0.0917008 0.8700881 -0.0030914 -1.6691287 62 O -2.3614546 0.0948601 -0.7389389 -0.0086976 -1.5057054 -0.0917008 -0.8700881 0.0030914 -1.6691287 63 O -1.2711961 0.5871056 -0.6343463 0.6295658 -2.3074945 1.6362071 -0.6869047 1.4606618 -2.9604905 64 O -1.2711961 0.5871056 0.6343463 0.6295658 -2.3074945 -1.6362071 0.6869047 -1.4606618 -2.9604905 65 O -2.3400252 -0.5435965 -0.5859746 -0.4993701 -2.6270969 0.4605766 -0.7004053 0.3907573 -1.6391693 66 O -2.3400252 -0.5435965 0.5859746 -0.4993701 -2.6270969 -0.4605766 0.7004053 -0.3907573 -1.6391693 67 O -1.1199272 0.3078123 -0.2854032 0.3554459 -2.3948109 1.6455406 -0.3944886 1.4995955 -2.9428267 68 O -1.1199272 0.3078123 0.2854032 0.3554459 -2.3948109 -1.6455406 0.3944886 -1.4995955 -2.9428267 69 O -2.2617110 -0.2931421 0.7181820 -0.4383037 -2.6034650 -0.4388088 0.7831750 -0.3628085 -1.6189948 70 O -2.2617110 -0.2931421 -0.7181820 -0.4383037 -2.6034650 0.4388088 -0.7831750 0.3628085 -1.6189948 71 O -2.3545278 -0.0803039 0.7684488 0.0168435 -1.5181598 -0.0165700 0.9004730 0.0226212 -1.6754736 72 O -2.3545278 -0.0803039 -0.7684488 0.0168435 -1.5181598 0.0165700 -0.9004730 -0.0226212 -1.6754736 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 3 6 ] 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: 0.44, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.136 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.713 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.095 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.437 ( 0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 8.964 ( 0.000 0.000 0.000) 0.000 9.057 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 9.846 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 9.911 ( 0.000 0.000 0.000) 0.000 9.970 ( 0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 0.000) 0.000 10.062 ( 0.000 0.000 0.000) 0.000 10.151 ( 0.000 0.000 0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.266 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 10.527 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 10.682 ( 0.000 0.000 0.000) 0.000 10.965 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 0.000) 0.000 11.053 ( 0.000 0.000 0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 11.163 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.327 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.723 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 12.407 ( 0.000 0.000 0.000) 0.000 12.673 ( 0.000 0.000 0.000) 0.000 12.680 ( 0.000 0.000 0.000) 0.000 12.760 ( 0.000 0.000 0.000) 0.000 13.288 ( 0.000 0.000 0.000) 0.000 13.294 ( 0.000 0.000 0.000) 0.000 13.369 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.520 ( 0.000 0.000 0.000) 0.000 13.655 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 13.962 ( 0.000 0.000 0.000) 0.000 14.131 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.430 ( 0.000 0.000 0.000) 0.000 14.445 ( 0.000 0.000 0.000) 0.000 14.529 ( 0.000 0.000 0.000) 0.000 15.237 ( 0.000 0.000 0.000) 0.000 15.309 ( 0.000 0.000 0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 15.772 ( 0.000 0.000 0.000) 0.000 15.780 ( 0.000 0.000 0.000) 0.000 15.977 ( 0.000 0.000 0.000) 0.000 16.323 ( 0.000 0.000 0.000) 0.000 16.577 ( 0.000 0.000 0.000) 0.000 16.614 ( 0.000 0.000 0.000) 0.000 16.620 ( 0.000 0.000 0.000) 0.000 16.677 ( 0.000 0.000 0.000) 0.000 16.770 ( 0.000 0.000 0.000) 0.000 16.867 ( 0.000 0.000 0.000) 0.000 17.350 ( 0.000 0.000 0.000) 0.000 17.513 ( 0.000 0.000 0.000) 0.000 17.668 ( 0.000 0.000 0.000) 0.000 17.935 ( 0.000 0.000 0.000) 0.000 18.105 ( 0.000 0.000 0.000) 0.000 18.424 ( 0.000 0.000 0.000) 0.000 18.659 ( 0.000 0.000 0.000) 0.000 18.687 ( 0.000 0.000 0.000) 0.000 19.247 ( 0.000 0.000 0.000) 0.000 20.186 ( 0.000 0.000 0.000) 0.000 20.343 ( 0.000 0.000 0.000) 0.000 20.514 ( 0.000 0.000 0.000) 0.000 20.836 ( 0.000 0.000 0.000) 0.000 20.870 ( 0.000 0.000 0.000) 0.000 20.913 ( 0.000 0.000 0.000) 0.000 21.098 ( 0.000 0.000 0.000) 0.000 23.775 ( 0.000 0.000 0.000) 0.000 23.829 ( 0.000 0.000 0.000) 0.000 23.878 ( 0.000 0.000 0.000) 0.000 23.888 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 24.036 ( 0.000 0.000 0.000) 0.000 24.098 ( 0.000 0.000 0.000) 0.000 24.137 ( 0.000 0.000 0.000) 0.000 24.172 ( 0.000 0.000 0.000) 0.000 24.361 ( 0.000 0.000 0.000) 0.000 24.403 ( 0.000 0.000 0.000) 0.000 24.429 ( 0.000 0.000 0.000) 0.000 24.440 ( 0.000 0.000 0.000) 0.000 24.825 ( 0.000 0.000 0.000) 0.000 24.948 ( 0.000 0.000 0.000) 0.000 25.046 ( 0.000 0.000 0.000) 0.000 25.083 ( 0.000 0.000 0.000) 0.000 25.116 ( 0.000 0.000 0.000) 0.000 25.407 ( 0.000 0.000 0.000) 0.000 25.763 ( 0.000 0.000 0.000) 0.000 26.120 ( 0.000 0.000 0.000) 0.000 26.790 ( 0.000 0.000 0.000) 0.000 26.792 ( 0.000 0.000 0.000) 0.000 26.801 ( 0.000 0.000 0.000) 0.000 26.840 ( 0.000 0.000 0.000) 0.000 27.744 ( 0.000 0.000 0.000) 0.000 27.916 ( 0.000 0.000 0.000) 0.000 28.164 ( 0.000 0.000 0.000) 0.000 28.592 ( 0.000 0.000 0.000) 0.000 28.593 ( 0.000 0.000 0.000) 0.000 28.665 ( 0.000 0.000 0.000) 0.000 28.687 ( 0.000 0.000 0.000) 0.000 28.730 ( 0.000 0.000 0.000) 0.000 28.953 ( 0.000 0.000 0.000) 0.000 29.609 ( 0.000 0.000 0.000) 0.000 29.632 ( 0.000 0.000 0.000) 0.000 30.417 ( 0.000 0.000 0.000) 0.000 31.764 ( 0.000 0.000 0.000) 0.000 31.789 ( 0.000 0.000 0.000) 0.000 31.794 ( 0.000 0.000 0.000) 0.000 31.797 ( 0.000 0.000 0.000) 0.000 32.255 ( 0.000 0.000 0.000) 0.000 32.277 ( 0.000 0.000 0.000) 0.000 32.295 ( 0.000 0.000 0.000) 0.000 32.297 ( 0.000 0.000 0.000) 0.000 32.473 ( 0.000 0.000 0.000) 0.000 32.541 ( 0.000 0.000 0.000) 0.000 32.821 ( 0.000 0.000 0.000) 0.000 32.834 ( 0.000 0.000 0.000) 0.000 33.112 ( 0.000 0.000 0.000) 0.000 33.153 ( 0.000 0.000 0.000) 0.000 33.221 ( 0.000 0.000 0.000) 0.000 33.327 ( 0.000 0.000 0.000) 0.000 33.347 ( 0.000 0.000 0.000) 0.000 33.695 ( 0.000 0.000 0.000) 0.000 33.761 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 43.699 0.000 0.000) 43.699 0.872 ( 41.663 0.000 0.000) 41.663 1.634 ( 64.717 0.000 0.000) 64.717 2.007 ( 1.550 0.000 0.000) 1.550 2.248 ( 7.325 0.000 0.000) 7.325 2.325 ( 12.658 0.000 0.000) 12.658 2.381 ( 19.233 0.000 0.000) 19.233 2.454 ( 33.068 0.000 0.000) 33.068 2.682 ( 41.637 0.000 0.000) 41.637 3.136 ( 37.095 0.000 0.000) 37.095 3.217 ( 20.605 0.000 0.000) 20.605 3.344 ( -5.052 0.000 0.000) 5.052 3.432 ( 46.199 0.000 0.000) 46.199 3.556 ( 7.540 0.000 0.000) 7.540 3.628 ( 21.552 0.000 0.000) 21.552 3.670 ( 30.648 0.000 0.000) 30.648 3.773 ( 11.032 0.000 0.000) 11.032 3.885 ( 46.431 0.000 0.000) 46.431 4.109 ( 2.364 0.000 0.000) 2.364 4.123 ( 22.395 0.000 0.000) 22.395 4.222 ( 15.299 0.000 0.000) 15.299 4.229 ( 19.894 0.000 0.000) 19.894 4.564 ( 13.941 0.000 0.000) 13.941 4.696 ( 43.459 0.000 0.000) 43.459 4.813 ( 17.808 0.000 0.000) 17.808 4.816 ( 16.796 0.000 0.000) 16.796 4.849 ( -2.558 0.000 0.000) 2.558 4.913 ( 4.002 0.000 0.000) 4.002 4.924 ( -3.859 0.000 0.000) 3.859 5.021 ( 8.894 0.000 0.000) 8.894 5.343 ( 9.157 0.000 0.000) 9.157 5.395 ( 9.217 0.000 0.000) 9.217 5.463 ( 1.129 0.000 0.000) 1.129 5.591 ( 4.563 0.000 0.000) 4.563 5.698 ( -3.011 0.000 0.000) 3.011 5.891 ( 7.978 0.000 0.000) 7.978 6.172 ( 3.119 0.000 0.000) 3.119 6.270 ( -7.676 0.000 0.000) 7.676 6.491 ( 8.935 0.000 0.000) 8.935 6.717 ( -12.401 0.000 0.000) 12.401 6.784 ( -7.947 0.000 0.000) 7.947 6.786 ( -9.932 0.000 0.000) 9.932 6.794 ( -2.024 0.000 0.000) 2.024 6.909 ( -12.706 0.000 0.000) 12.706 6.949 ( 16.785 0.000 0.000) 16.785 7.023 ( -11.678 0.000 0.000) 11.678 7.090 ( -3.886 0.000 0.000) 3.886 7.136 ( -6.830 0.000 0.000) 6.830 7.247 ( 7.841 0.000 0.000) 7.841 7.262 ( 2.659 0.000 0.000) 2.659 7.365 ( 4.934 0.000 0.000) 4.934 7.441 ( -11.860 0.000 0.000) 11.860 7.497 ( -3.987 0.000 0.000) 3.987 7.572 ( -9.040 0.000 0.000) 9.040 7.629 ( -3.239 0.000 0.000) 3.239 7.823 ( -12.282 0.000 0.000) 12.282 7.986 ( 2.260 0.000 0.000) 2.260 8.016 ( -6.032 0.000 0.000) 6.032 8.070 ( -3.113 0.000 0.000) 3.113 8.092 ( -6.697 0.000 0.000) 6.697 8.217 ( -6.056 0.000 0.000) 6.056 8.257 ( -4.309 0.000 0.000) 4.309 8.361 ( -0.230 0.000 0.000) 0.230 8.373 ( -5.188 0.000 0.000) 5.188 8.480 ( -16.919 0.000 0.000) 16.919 8.494 ( 5.495 0.000 0.000) 5.495 8.675 ( -5.046 0.000 0.000) 5.046 8.751 ( 10.977 0.000 0.000) 10.977 8.820 ( -7.290 0.000 0.000) 7.290 9.056 ( 7.609 0.000 0.000) 7.609 9.097 ( 6.210 0.000 0.000) 6.210 9.150 ( -14.185 0.000 0.000) 14.185 9.280 ( 5.977 0.000 0.000) 5.977 9.439 ( -3.767 0.000 0.000) 3.767 9.500 ( 11.293 0.000 0.000) 11.293 9.544 ( -10.213 0.000 0.000) 10.213 9.708 ( -10.421 0.000 0.000) 10.421 9.784 ( -1.706 0.000 0.000) 1.706 9.877 ( -13.123 0.000 0.000) 13.123 9.889 ( 1.687 0.000 0.000) 1.687 9.964 ( 5.289 0.000 0.000) 5.289 9.969 ( -2.286 0.000 0.000) 2.286 9.979 ( 0.166 0.000 0.000) 0.166 10.121 ( 2.384 0.000 0.000) 2.384 10.156 ( -7.144 0.000 0.000) 7.144 10.288 ( -21.374 0.000 0.000) 21.374 10.304 ( -4.958 0.000 0.000) 4.958 10.383 ( 3.189 0.000 0.000) 3.189 10.450 ( 11.705 0.000 0.000) 11.705 10.490 ( -4.151 0.000 0.000) 4.151 10.540 ( 0.093 0.000 0.000) 0.093 10.729 ( 3.634 0.000 0.000) 3.634 10.931 ( -6.104 0.000 0.000) 6.104 11.029 ( 0.989 0.000 0.000) 0.989 11.082 ( -5.014 0.000 0.000) 5.014 11.098 ( 3.897 0.000 0.000) 3.897 11.199 ( 1.808 0.000 0.000) 1.808 11.202 ( 9.506 0.000 0.000) 9.506 11.260 ( -4.747 0.000 0.000) 4.747 11.289 ( 1.235 0.000 0.000) 1.235 11.504 ( -9.896 0.000 0.000) 9.896 11.633 ( -2.285 0.000 0.000) 2.285 11.739 ( -1.293 0.000 0.000) 1.293 11.754 ( -3.238 0.000 0.000) 3.238 11.801 ( 9.118 0.000 0.000) 9.118 11.836 ( 9.071 0.000 0.000) 9.071 11.848 ( -6.870 0.000 0.000) 6.870 11.971 ( 3.225 0.000 0.000) 3.225 12.137 ( 5.659 0.000 0.000) 5.659 12.345 ( -0.871 0.000 0.000) 0.871 12.549 ( -9.133 0.000 0.000) 9.133 12.565 ( 9.606 0.000 0.000) 9.606 12.669 ( 0.014 0.000 0.000) 0.014 12.690 ( 1.203 0.000 0.000) 1.203 12.744 ( 26.842 0.000 0.000) 26.842 13.205 ( -12.680 0.000 0.000) 12.680 13.607 ( 7.148 0.000 0.000) 7.148 13.692 ( 25.655 0.000 0.000) 25.655 13.740 ( 8.867 0.000 0.000) 8.867 13.877 ( -3.472 0.000 0.000) 3.472 13.915 ( 41.114 0.000 0.000) 41.114 13.988 ( 12.723 0.000 0.000) 12.723 14.189 ( 1.020 0.000 0.000) 1.020 14.270 ( 9.078 0.000 0.000) 9.078 14.428 ( 2.445 0.000 0.000) 2.445 14.461 ( 1.894 0.000 0.000) 1.894 14.515 ( -0.970 0.000 0.000) 0.970 15.148 ( -8.905 0.000 0.000) 8.905 15.250 ( -5.595 0.000 0.000) 5.595 15.263 ( -3.837 0.000 0.000) 3.837 15.353 ( 0.835 0.000 0.000) 0.835 15.507 ( -0.895 0.000 0.000) 0.895 15.751 ( -1.428 0.000 0.000) 1.428 15.766 ( 4.970 0.000 0.000) 4.970 15.820 ( 4.397 0.000 0.000) 4.397 15.942 ( -1.916 0.000 0.000) 1.916 16.157 ( 1.819 0.000 0.000) 1.819 16.363 ( 2.331 0.000 0.000) 2.331 16.626 ( 1.108 0.000 0.000) 1.108 16.648 ( 6.012 0.000 0.000) 6.012 16.719 ( 3.825 0.000 0.000) 3.825 16.861 ( -0.430 0.000 0.000) 0.430 16.890 ( 10.798 0.000 0.000) 10.798 17.334 ( -1.390 0.000 0.000) 1.390 17.347 ( -6.123 0.000 0.000) 6.123 17.512 ( 0.429 0.000 0.000) 0.429 17.804 ( -12.081 0.000 0.000) 12.081 17.941 ( -14.214 0.000 0.000) 14.214 18.280 ( -12.772 0.000 0.000) 12.772 18.280 ( 1.681 0.000 0.000) 1.681 18.493 ( -17.001 0.000 0.000) 17.001 18.569 ( -8.291 0.000 0.000) 8.291 19.407 ( 15.047 0.000 0.000) 15.047 20.279 ( 8.594 0.000 0.000) 8.594 20.451 ( 1.661 0.000 0.000) 1.661 20.526 ( 0.047 0.000 0.000) 0.047 20.752 ( -9.716 0.000 0.000) 9.716 20.840 ( -2.177 0.000 0.000) 2.177 20.881 ( -1.584 0.000 0.000) 1.584 21.054 ( -0.561 0.000 0.000) 0.561 23.557 ( -29.234 0.000 0.000) 29.234 23.576 ( -27.579 0.000 0.000) 27.579 23.630 ( -18.383 0.000 0.000) 18.383 23.653 ( -15.303 0.000 0.000) 15.303 23.735 ( -10.466 0.000 0.000) 10.466 23.807 ( -25.398 0.000 0.000) 25.398 23.911 ( -12.725 0.000 0.000) 12.725 23.982 ( -15.251 0.000 0.000) 15.251 24.141 ( 0.423 0.000 0.000) 0.423 24.279 ( 1.880 0.000 0.000) 1.880 24.395 ( 6.031 0.000 0.000) 6.031 24.616 ( 7.763 0.000 0.000) 7.763 24.683 ( 9.790 0.000 0.000) 9.790 24.796 ( -2.644 0.000 0.000) 2.644 25.057 ( 7.062 0.000 0.000) 7.062 25.143 ( 7.089 0.000 0.000) 7.089 25.207 ( 9.992 0.000 0.000) 9.992 25.210 ( 8.123 0.000 0.000) 8.123 25.452 ( -4.297 0.000 0.000) 4.297 25.728 ( -3.387 0.000 0.000) 3.387 26.111 ( -0.959 0.000 0.000) 0.959 26.826 ( 3.201 0.000 0.000) 3.201 26.828 ( 3.508 0.000 0.000) 3.508 26.863 ( 4.930 0.000 0.000) 4.930 26.869 ( 2.521 0.000 0.000) 2.521 27.508 ( -21.949 0.000 0.000) 21.949 27.802 ( -18.974 0.000 0.000) 18.974 28.072 ( -8.938 0.000 0.000) 8.938 28.387 ( -18.265 0.000 0.000) 18.265 28.619 ( 4.418 0.000 0.000) 4.418 28.625 ( -1.863 0.000 0.000) 1.863 28.727 ( -19.979 0.000 0.000) 19.979 28.819 ( 12.300 0.000 0.000) 12.300 28.852 ( 7.869 0.000 0.000) 7.869 29.042 ( -40.664 0.000 0.000) 40.664 29.082 ( -39.182 0.000 0.000) 39.182 30.320 ( -9.110 0.000 0.000) 9.110 31.648 ( -19.036 0.000 0.000) 19.036 31.722 ( -16.077 0.000 0.000) 16.077 31.927 ( 8.380 0.000 0.000) 8.380 32.163 ( 12.084 0.000 0.000) 12.084 32.296 ( 19.037 0.000 0.000) 19.037 32.390 ( 6.574 0.000 0.000) 6.574 32.505 ( 20.329 0.000 0.000) 20.329 32.836 ( 25.842 0.000 0.000) 25.842 32.925 ( 9.350 0.000 0.000) 9.350 32.952 ( 10.653 0.000 0.000) 10.653 33.071 ( 24.931 0.000 0.000) 24.931 33.138 ( 4.298 0.000 0.000) 4.298 33.144 ( 2.861 0.000 0.000) 2.861 33.178 ( 2.076 0.000 0.000) 2.076 33.425 ( 8.599 0.000 0.000) 8.599 33.436 ( 8.095 0.000 0.000) 8.095 33.735 ( 4.088 0.000 0.000) 4.088 33.777 ( 2.003 0.000 0.000) 2.003 35.114 ( -2.046 0.000 0.000) 2.046 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 41.353 0.000 0.000) 41.353 1.805 ( 44.213 0.000 0.000) 44.213 2.170 ( 13.975 0.000 0.000) 13.975 2.470 ( 13.503 0.000 0.000) 13.503 2.603 ( 13.698 0.000 0.000) 13.698 2.669 ( 37.708 0.000 0.000) 37.708 2.802 ( 22.013 0.000 0.000) 22.013 2.997 ( 19.794 0.000 0.000) 19.794 3.317 ( 19.608 0.000 0.000) 19.608 3.339 ( 5.495 0.000 0.000) 5.495 3.673 ( 20.908 0.000 0.000) 20.908 3.787 ( 14.159 0.000 0.000) 14.159 3.797 ( 22.175 0.000 0.000) 22.175 3.981 ( 8.053 0.000 0.000) 8.053 4.135 ( 14.834 0.000 0.000) 14.834 4.175 ( 9.950 0.000 0.000) 9.950 4.209 ( 7.482 0.000 0.000) 7.482 4.367 ( 8.518 0.000 0.000) 8.518 4.554 ( 13.752 0.000 0.000) 13.752 4.706 ( 35.509 0.000 0.000) 35.509 4.769 ( 46.348 0.000 0.000) 46.348 4.779 ( -3.997 0.000 0.000) 3.997 4.867 ( -1.251 0.000 0.000) 1.251 5.023 ( 50.817 0.000 0.000) 50.817 5.117 ( 29.952 0.000 0.000) 29.952 5.185 ( 43.705 0.000 0.000) 43.705 5.191 ( 6.691 0.000 0.000) 6.691 5.411 ( 28.362 0.000 0.000) 28.362 5.416 ( 22.657 0.000 0.000) 22.657 5.467 ( -1.883 0.000 0.000) 1.883 5.503 ( 26.423 0.000 0.000) 26.423 5.548 ( 9.026 0.000 0.000) 9.026 5.801 ( 34.036 0.000 0.000) 34.036 5.953 ( 31.409 0.000 0.000) 31.409 6.061 ( -11.533 0.000 0.000) 11.533 6.093 ( 41.152 0.000 0.000) 41.152 6.210 ( 29.807 0.000 0.000) 29.807 6.287 ( -25.781 0.000 0.000) 25.781 6.325 ( 13.016 0.000 0.000) 13.016 6.503 ( -11.278 0.000 0.000) 11.278 6.551 ( -21.556 0.000 0.000) 21.556 6.560 ( -18.978 0.000 0.000) 18.978 6.567 ( -11.642 0.000 0.000) 11.642 6.663 ( -21.415 0.000 0.000) 21.415 6.715 ( 15.023 0.000 0.000) 15.023 6.955 ( -10.108 0.000 0.000) 10.108 7.064 ( 2.328 0.000 0.000) 2.328 7.156 ( -15.900 0.000 0.000) 15.900 7.313 ( 17.873 0.000 0.000) 17.873 7.349 ( -8.442 0.000 0.000) 8.442 7.357 ( -8.449 0.000 0.000) 8.449 7.377 ( 9.231 0.000 0.000) 9.231 7.561 ( -6.624 0.000 0.000) 6.624 7.591 ( 15.445 0.000 0.000) 15.445 7.594 ( -7.379 0.000 0.000) 7.379 7.642 ( 28.132 0.000 0.000) 28.132 7.865 ( -17.248 0.000 0.000) 17.248 7.888 ( -4.852 0.000 0.000) 4.852 7.982 ( -6.207 0.000 0.000) 6.207 8.063 ( 1.893 0.000 0.000) 1.893 8.067 ( -3.107 0.000 0.000) 3.107 8.139 ( -2.118 0.000 0.000) 2.118 8.171 ( -14.420 0.000 0.000) 14.420 8.276 ( -3.171 0.000 0.000) 3.171 8.298 ( -5.670 0.000 0.000) 5.670 8.524 ( -2.473 0.000 0.000) 2.473 8.636 ( 1.227 0.000 0.000) 1.227 8.717 ( 1.213 0.000 0.000) 1.213 8.891 ( -9.033 0.000 0.000) 9.033 8.992 ( 7.071 0.000 0.000) 7.071 9.140 ( -2.467 0.000 0.000) 2.467 9.148 ( -4.723 0.000 0.000) 4.723 9.173 ( -18.343 0.000 0.000) 18.343 9.324 ( -4.961 0.000 0.000) 4.961 9.334 ( -2.082 0.000 0.000) 2.082 9.561 ( -5.132 0.000 0.000) 5.132 9.566 ( -3.239 0.000 0.000) 3.239 9.646 ( -9.566 0.000 0.000) 9.566 9.685 ( -7.886 0.000 0.000) 7.886 9.824 ( -13.665 0.000 0.000) 13.665 9.913 ( -12.337 0.000 0.000) 12.337 9.959 ( 1.720 0.000 0.000) 1.720 9.963 ( 0.433 0.000 0.000) 0.433 10.042 ( -4.987 0.000 0.000) 4.987 10.067 ( 2.433 0.000 0.000) 2.433 10.164 ( 0.300 0.000 0.000) 0.300 10.175 ( -5.869 0.000 0.000) 5.869 10.410 ( 0.660 0.000 0.000) 0.660 10.454 ( 3.229 0.000 0.000) 3.229 10.488 ( -5.806 0.000 0.000) 5.806 10.647 ( 3.307 0.000 0.000) 3.307 10.791 ( 2.151 0.000 0.000) 2.151 10.862 ( 0.970 0.000 0.000) 0.970 11.005 ( -2.020 0.000 0.000) 2.020 11.007 ( -3.815 0.000 0.000) 3.815 11.066 ( -12.724 0.000 0.000) 12.724 11.213 ( 1.420 0.000 0.000) 1.420 11.250 ( 3.589 0.000 0.000) 3.589 11.372 ( 3.203 0.000 0.000) 3.203 11.393 ( 7.624 0.000 0.000) 7.624 11.432 ( 11.644 0.000 0.000) 11.644 11.528 ( -7.111 0.000 0.000) 7.111 11.631 ( -8.793 0.000 0.000) 8.793 11.695 ( -5.655 0.000 0.000) 5.655 11.699 ( -3.406 0.000 0.000) 3.406 11.998 ( 6.705 0.000 0.000) 6.705 12.074 ( 13.064 0.000 0.000) 13.064 12.131 ( 13.838 0.000 0.000) 13.838 12.305 ( 11.187 0.000 0.000) 11.187 12.359 ( 2.531 0.000 0.000) 2.531 12.376 ( -6.559 0.000 0.000) 6.559 12.737 ( 8.176 0.000 0.000) 8.176 12.740 ( 3.517 0.000 0.000) 3.517 12.814 ( 12.989 0.000 0.000) 12.989 12.968 ( -8.642 0.000 0.000) 8.642 13.208 ( 15.207 0.000 0.000) 15.207 13.725 ( 2.849 0.000 0.000) 2.849 13.779 ( -5.810 0.000 0.000) 5.810 13.929 ( 7.548 0.000 0.000) 7.548 14.196 ( -1.073 0.000 0.000) 1.073 14.198 ( 15.712 0.000 0.000) 15.712 14.252 ( -2.105 0.000 0.000) 2.105 14.398 ( 2.012 0.000 0.000) 2.012 14.451 ( 28.077 0.000 0.000) 28.077 14.525 ( 3.464 0.000 0.000) 3.464 14.597 ( 15.861 0.000 0.000) 15.861 14.863 ( -17.704 0.000 0.000) 17.704 15.048 ( 46.032 0.000 0.000) 46.032 15.068 ( -11.809 0.000 0.000) 11.809 15.132 ( -9.127 0.000 0.000) 9.127 15.335 ( -2.343 0.000 0.000) 2.343 15.527 ( 2.778 0.000 0.000) 2.778 15.758 ( 1.895 0.000 0.000) 1.895 15.844 ( 1.673 0.000 0.000) 1.673 15.902 ( 1.305 0.000 0.000) 1.305 16.008 ( 9.435 0.000 0.000) 9.435 16.309 ( 14.823 0.000 0.000) 14.823 16.358 ( -3.797 0.000 0.000) 3.797 16.650 ( 0.710 0.000 0.000) 0.710 16.804 ( 8.386 0.000 0.000) 8.386 16.821 ( 5.240 0.000 0.000) 5.240 16.866 ( 1.528 0.000 0.000) 1.528 17.174 ( -9.703 0.000 0.000) 9.703 17.175 ( 15.347 0.000 0.000) 15.347 17.298 ( -1.906 0.000 0.000) 1.906 17.464 ( -18.157 0.000 0.000) 18.157 17.532 ( 1.169 0.000 0.000) 1.169 17.601 ( -16.730 0.000 0.000) 16.730 17.958 ( -16.005 0.000 0.000) 16.005 18.085 ( -18.793 0.000 0.000) 18.793 18.301 ( -0.311 0.000 0.000) 0.311 18.333 ( -13.642 0.000 0.000) 13.642 19.858 ( 27.365 0.000 0.000) 27.365 20.425 ( -5.857 0.000 0.000) 5.857 20.446 ( -8.319 0.000 0.000) 8.319 20.494 ( 7.158 0.000 0.000) 7.158 20.621 ( 2.803 0.000 0.000) 2.803 20.748 ( 1.652 0.000 0.000) 1.652 20.972 ( 11.450 0.000 0.000) 11.450 21.193 ( 12.616 0.000 0.000) 12.616 22.792 ( -41.108 0.000 0.000) 41.108 22.898 ( -36.833 0.000 0.000) 36.833 22.989 ( -36.167 0.000 0.000) 36.167 23.186 ( -31.718 0.000 0.000) 31.718 23.353 ( -18.647 0.000 0.000) 18.647 23.411 ( -19.080 0.000 0.000) 19.080 23.584 ( -19.220 0.000 0.000) 19.220 23.630 ( -19.008 0.000 0.000) 19.008 24.155 ( 0.840 0.000 0.000) 0.840 24.319 ( 0.873 0.000 0.000) 0.873 24.487 ( 2.335 0.000 0.000) 2.335 24.720 ( -4.375 0.000 0.000) 4.375 24.745 ( 4.834 0.000 0.000) 4.834 24.812 ( 3.033 0.000 0.000) 3.033 25.219 ( 8.395 0.000 0.000) 8.395 25.300 ( 7.454 0.000 0.000) 7.454 25.326 ( -7.419 0.000 0.000) 7.419 25.411 ( 11.034 0.000 0.000) 11.034 25.418 ( 9.602 0.000 0.000) 9.602 25.617 ( -7.333 0.000 0.000) 7.333 26.076 ( -2.563 0.000 0.000) 2.563 26.903 ( -32.261 0.000 0.000) 32.261 26.908 ( 4.196 0.000 0.000) 4.196 26.923 ( 5.277 0.000 0.000) 5.277 26.937 ( 4.000 0.000 0.000) 4.000 26.982 ( 6.045 0.000 0.000) 6.045 27.230 ( -32.437 0.000 0.000) 32.437 27.755 ( -23.710 0.000 0.000) 23.710 27.938 ( -19.740 0.000 0.000) 19.740 28.230 ( -23.722 0.000 0.000) 23.722 28.296 ( -28.290 0.000 0.000) 28.290 28.398 ( -26.421 0.000 0.000) 26.421 28.635 ( 2.954 0.000 0.000) 2.954 28.781 ( 10.687 0.000 0.000) 10.687 29.044 ( 10.516 0.000 0.000) 10.516 29.139 ( 17.785 0.000 0.000) 17.785 30.053 ( -15.771 0.000 0.000) 15.771 31.124 ( -28.254 0.000 0.000) 28.254 31.247 ( -26.702 0.000 0.000) 26.702 31.942 ( -14.329 0.000 0.000) 14.329 32.512 ( 14.998 0.000 0.000) 14.998 32.520 ( 12.916 0.000 0.000) 12.916 32.758 ( 22.892 0.000 0.000) 22.892 32.920 ( 18.989 0.000 0.000) 18.989 33.159 ( 11.828 0.000 0.000) 11.828 33.172 ( 13.007 0.000 0.000) 13.007 33.216 ( 3.599 0.000 0.000) 3.599 33.231 ( 2.799 0.000 0.000) 2.799 33.237 ( 15.224 0.000 0.000) 15.224 33.413 ( 24.991 0.000 0.000) 24.991 33.628 ( 9.154 0.000 0.000) 9.154 33.638 ( 9.453 0.000 0.000) 9.453 33.754 ( 26.139 0.000 0.000) 26.139 33.877 ( 8.305 0.000 0.000) 8.305 33.895 ( 11.900 0.000 0.000) 11.900 35.050 ( -4.094 0.000 0.000) 4.094 ======================= Grid point 3 (4/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 26.652 0.000 0.000) 26.652 2.607 ( 32.054 0.000 0.000) 32.054 2.660 ( 35.390 0.000 0.000) 35.390 2.789 ( 16.093 0.000 0.000) 16.093 2.914 ( 17.650 0.000 0.000) 17.650 3.215 ( 13.003 0.000 0.000) 13.003 3.302 ( 25.099 0.000 0.000) 25.099 3.441 ( 21.325 0.000 0.000) 21.325 3.581 ( 16.785 0.000 0.000) 16.785 3.665 ( 14.942 0.000 0.000) 14.942 3.995 ( 2.782 0.000 0.000) 2.782 4.035 ( 14.433 0.000 0.000) 14.433 4.110 ( 4.240 0.000 0.000) 4.240 4.117 ( 15.980 0.000 0.000) 15.980 4.129 ( -7.327 0.000 0.000) 7.327 4.284 ( 2.417 0.000 0.000) 2.417 4.386 ( 7.891 0.000 0.000) 7.891 4.685 ( -4.971 0.000 0.000) 4.971 4.690 ( 11.486 0.000 0.000) 11.486 4.759 ( 8.374 0.000 0.000) 8.374 4.866 ( 0.398 0.000 0.000) 0.398 4.980 ( 16.911 0.000 0.000) 16.911 5.273 ( 0.316 0.000 0.000) 0.316 5.313 ( -14.655 0.000 0.000) 14.655 5.548 ( 2.802 0.000 0.000) 2.802 5.573 ( 8.019 0.000 0.000) 8.019 5.604 ( -6.724 0.000 0.000) 6.724 5.611 ( 21.292 0.000 0.000) 21.292 5.736 ( -25.125 0.000 0.000) 25.125 5.840 ( 3.130 0.000 0.000) 3.130 5.864 ( -4.875 0.000 0.000) 4.875 5.928 ( 5.119 0.000 0.000) 5.119 6.060 ( 5.864 0.000 0.000) 5.864 6.105 ( -17.553 0.000 0.000) 17.553 6.162 ( 21.218 0.000 0.000) 21.218 6.168 ( -23.442 0.000 0.000) 23.442 6.199 ( 31.212 0.000 0.000) 31.212 6.231 ( 32.391 0.000 0.000) 32.391 6.384 ( -5.352 0.000 0.000) 5.352 6.466 ( 15.990 0.000 0.000) 15.990 6.631 ( -20.280 0.000 0.000) 20.280 6.759 ( 29.179 0.000 0.000) 29.179 6.798 ( -17.017 0.000 0.000) 17.017 6.851 ( 30.674 0.000 0.000) 30.674 7.034 ( 43.249 0.000 0.000) 43.249 7.076 ( -19.025 0.000 0.000) 19.025 7.108 ( 39.392 0.000 0.000) 39.392 7.226 ( -5.017 0.000 0.000) 5.017 7.328 ( 37.422 0.000 0.000) 37.422 7.350 ( 29.716 0.000 0.000) 29.716 7.407 ( -6.141 0.000 0.000) 6.141 7.519 ( -13.959 0.000 0.000) 13.959 7.542 ( 1.335 0.000 0.000) 1.335 7.716 ( 14.822 0.000 0.000) 14.822 7.723 ( 26.567 0.000 0.000) 26.567 7.789 ( -10.777 0.000 0.000) 10.777 7.812 ( -17.413 0.000 0.000) 17.413 7.841 ( -0.822 0.000 0.000) 0.822 7.961 ( 5.052 0.000 0.000) 5.052 7.984 ( 21.232 0.000 0.000) 21.232 8.038 ( -3.358 0.000 0.000) 3.358 8.182 ( -2.325 0.000 0.000) 2.325 8.248 ( -0.408 0.000 0.000) 0.408 8.283 ( 22.461 0.000 0.000) 22.461 8.391 ( 25.739 0.000 0.000) 25.739 8.457 ( -3.857 0.000 0.000) 3.857 8.678 ( 1.998 0.000 0.000) 1.998 8.735 ( -9.208 0.000 0.000) 9.208 8.786 ( 4.684 0.000 0.000) 4.684 8.890 ( -3.110 0.000 0.000) 3.110 8.964 ( -6.640 0.000 0.000) 6.640 8.985 ( -11.765 0.000 0.000) 11.765 9.050 ( -1.637 0.000 0.000) 1.637 9.187 ( -11.463 0.000 0.000) 11.463 9.263 ( -4.578 0.000 0.000) 4.578 9.390 ( -13.109 0.000 0.000) 13.109 9.416 ( -7.327 0.000 0.000) 7.327 9.454 ( -8.518 0.000 0.000) 8.518 9.481 ( -11.074 0.000 0.000) 11.074 9.505 ( -16.444 0.000 0.000) 16.444 9.787 ( -0.681 0.000 0.000) 0.681 9.813 ( -11.718 0.000 0.000) 11.718 9.819 ( -16.886 0.000 0.000) 16.886 9.999 ( -10.276 0.000 0.000) 10.276 10.028 ( 3.924 0.000 0.000) 3.924 10.100 ( -8.420 0.000 0.000) 8.420 10.138 ( 1.097 0.000 0.000) 1.097 10.291 ( -12.224 0.000 0.000) 12.224 10.437 ( 2.113 0.000 0.000) 2.113 10.586 ( 6.610 0.000 0.000) 6.610 10.624 ( -2.888 0.000 0.000) 2.888 10.751 ( -12.818 0.000 0.000) 12.818 10.837 ( 1.957 0.000 0.000) 1.957 10.876 ( -7.630 0.000 0.000) 7.630 10.930 ( 4.231 0.000 0.000) 4.231 10.989 ( 1.098 0.000 0.000) 1.098 11.282 ( 3.625 0.000 0.000) 3.625 11.332 ( 3.258 0.000 0.000) 3.258 11.362 ( -8.052 0.000 0.000) 8.052 11.375 ( -8.308 0.000 0.000) 8.308 11.491 ( -2.947 0.000 0.000) 2.947 11.594 ( -6.202 0.000 0.000) 6.202 11.614 ( 14.267 0.000 0.000) 14.267 11.659 ( 8.962 0.000 0.000) 8.962 11.666 ( 4.057 0.000 0.000) 4.057 12.137 ( 6.804 0.000 0.000) 6.804 12.285 ( -2.164 0.000 0.000) 2.164 12.369 ( 14.794 0.000 0.000) 14.794 12.417 ( 1.341 0.000 0.000) 1.341 12.439 ( 13.581 0.000 0.000) 13.581 12.616 ( 18.037 0.000 0.000) 18.037 12.816 ( 2.811 0.000 0.000) 2.811 12.849 ( -3.331 0.000 0.000) 3.331 12.951 ( 12.904 0.000 0.000) 12.904 13.172 ( 20.012 0.000 0.000) 20.012 13.448 ( 9.842 0.000 0.000) 9.842 13.630 ( -8.613 0.000 0.000) 8.613 13.707 ( -4.559 0.000 0.000) 4.559 13.992 ( -0.849 0.000 0.000) 0.849 14.105 ( -8.663 0.000 0.000) 8.663 14.197 ( -1.827 0.000 0.000) 1.827 14.331 ( -8.788 0.000 0.000) 8.788 14.367 ( 4.996 0.000 0.000) 4.996 14.466 ( -17.938 0.000 0.000) 17.938 14.706 ( 13.371 0.000 0.000) 13.371 14.765 ( -16.571 0.000 0.000) 16.571 14.840 ( 12.628 0.000 0.000) 12.628 14.895 ( -12.410 0.000 0.000) 12.410 15.222 ( 32.630 0.000 0.000) 32.630 15.271 ( -3.684 0.000 0.000) 3.684 15.599 ( 3.793 0.000 0.000) 3.793 15.757 ( -5.773 0.000 0.000) 5.773 15.874 ( -3.033 0.000 0.000) 3.033 15.891 ( 30.906 0.000 0.000) 30.906 15.897 ( 3.368 0.000 0.000) 3.368 16.221 ( -5.962 0.000 0.000) 5.962 16.255 ( 12.821 0.000 0.000) 12.821 16.663 ( 1.918 0.000 0.000) 1.918 16.712 ( 19.235 0.000 0.000) 19.235 16.920 ( 4.407 0.000 0.000) 4.407 16.932 ( 4.140 0.000 0.000) 4.140 16.966 ( -9.212 0.000 0.000) 9.212 16.978 ( 7.772 0.000 0.000) 7.772 17.153 ( -10.549 0.000 0.000) 10.549 17.255 ( -2.327 0.000 0.000) 2.327 17.286 ( -11.712 0.000 0.000) 11.712 17.499 ( 14.601 0.000 0.000) 14.601 17.547 ( -0.050 0.000 0.000) 0.050 17.681 ( -9.114 0.000 0.000) 9.114 17.788 ( -9.367 0.000 0.000) 9.367 18.026 ( -14.796 0.000 0.000) 14.796 18.245 ( -5.383 0.000 0.000) 5.383 20.314 ( -1.226 0.000 0.000) 1.226 20.361 ( 3.317 0.000 0.000) 3.317 20.516 ( 3.259 0.000 0.000) 3.259 20.525 ( 35.355 0.000 0.000) 35.355 20.812 ( 14.280 0.000 0.000) 14.280 21.095 ( 25.217 0.000 0.000) 25.217 21.331 ( 22.084 0.000 0.000) 22.084 21.549 ( 21.048 0.000 0.000) 21.048 21.896 ( -43.071 0.000 0.000) 43.071 22.085 ( -39.771 0.000 0.000) 39.771 22.185 ( -39.532 0.000 0.000) 39.532 22.497 ( -33.603 0.000 0.000) 33.603 22.829 ( -30.321 0.000 0.000) 30.321 22.962 ( -24.806 0.000 0.000) 24.806 23.105 ( -26.276 0.000 0.000) 26.276 23.178 ( -24.005 0.000 0.000) 24.005 24.177 ( 1.358 0.000 0.000) 1.358 24.307 ( -1.783 0.000 0.000) 1.783 24.505 ( -0.100 0.000 0.000) 0.100 24.624 ( -4.513 0.000 0.000) 4.513 24.833 ( 4.158 0.000 0.000) 4.158 24.845 ( 1.011 0.000 0.000) 1.011 25.155 ( -8.488 0.000 0.000) 8.488 25.412 ( 10.150 0.000 0.000) 10.150 25.416 ( -11.718 0.000 0.000) 11.718 25.456 ( 7.850 0.000 0.000) 7.850 25.613 ( 9.297 0.000 0.000) 9.297 25.685 ( 15.309 0.000 0.000) 15.309 25.998 ( -4.932 0.000 0.000) 4.932 26.293 ( -24.262 0.000 0.000) 24.262 26.584 ( -27.425 0.000 0.000) 27.425 26.995 ( 4.507 0.000 0.000) 4.507 27.045 ( 6.375 0.000 0.000) 6.375 27.046 ( 6.590 0.000 0.000) 6.590 27.114 ( 6.857 0.000 0.000) 6.857 27.155 ( -30.020 0.000 0.000) 30.020 27.592 ( -14.824 0.000 0.000) 14.824 27.792 ( -18.379 0.000 0.000) 18.379 27.810 ( -19.454 0.000 0.000) 19.454 27.910 ( -20.470 0.000 0.000) 20.470 28.753 ( 8.294 0.000 0.000) 8.294 29.056 ( 15.533 0.000 0.000) 15.533 29.301 ( 14.241 0.000 0.000) 14.241 29.557 ( 22.196 0.000 0.000) 22.196 29.687 ( -18.468 0.000 0.000) 18.468 30.513 ( -29.242 0.000 0.000) 29.242 30.665 ( -27.895 0.000 0.000) 27.895 31.402 ( -32.144 0.000 0.000) 32.144 32.804 ( 14.941 0.000 0.000) 14.941 32.879 ( 15.756 0.000 0.000) 15.756 33.191 ( 17.533 0.000 0.000) 17.533 33.267 ( 0.772 0.000 0.000) 0.772 33.287 ( 1.993 0.000 0.000) 1.993 33.291 ( 15.720 0.000 0.000) 15.720 33.422 ( 9.840 0.000 0.000) 9.840 33.476 ( 15.390 0.000 0.000) 15.390 33.526 ( 10.648 0.000 0.000) 10.648 33.791 ( 5.050 0.000 0.000) 5.050 33.794 ( 7.345 0.000 0.000) 7.345 33.816 ( 13.334 0.000 0.000) 13.334 34.104 ( 11.572 0.000 0.000) 11.572 34.171 ( 13.761 0.000 0.000) 13.761 34.204 ( 16.003 0.000 0.000) 16.003 34.940 ( -6.557 0.000 0.000) 6.557 ======================= Grid point 4 (5/40) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 23.923 0.000 0.000) 23.923 3.087 ( 13.864 0.000 0.000) 13.864 3.093 ( 11.298 0.000 0.000) 11.298 3.156 ( 8.945 0.000 0.000) 8.945 3.289 ( -4.629 0.000 0.000) 4.629 3.491 ( 32.353 0.000 0.000) 32.353 3.492 ( -15.833 0.000 0.000) 15.833 3.778 ( 18.650 0.000 0.000) 18.650 3.955 ( 13.516 0.000 0.000) 13.516 3.980 ( -9.764 0.000 0.000) 9.764 4.049 ( 23.282 0.000 0.000) 23.282 4.113 ( -3.264 0.000 0.000) 3.264 4.219 ( 13.757 0.000 0.000) 13.757 4.241 ( -0.275 0.000 0.000) 0.275 4.358 ( 3.664 0.000 0.000) 3.664 4.367 ( 10.187 0.000 0.000) 10.187 4.496 ( 1.574 0.000 0.000) 1.574 4.528 ( -13.706 0.000 0.000) 13.706 4.721 ( 0.082 0.000 0.000) 0.082 4.826 ( -5.467 0.000 0.000) 5.467 4.848 ( -1.821 0.000 0.000) 1.821 4.915 ( -16.172 0.000 0.000) 16.172 5.191 ( -3.271 0.000 0.000) 3.271 5.303 ( -14.212 0.000 0.000) 14.212 5.372 ( 13.195 0.000 0.000) 13.195 5.444 ( -2.957 0.000 0.000) 2.957 5.559 ( 1.685 0.000 0.000) 1.685 5.677 ( -5.058 0.000 0.000) 5.058 5.714 ( -13.531 0.000 0.000) 13.531 5.734 ( 6.790 0.000 0.000) 6.790 5.778 ( -9.383 0.000 0.000) 9.383 5.854 ( 8.561 0.000 0.000) 8.561 5.863 ( -7.159 0.000 0.000) 7.159 6.096 ( 14.739 0.000 0.000) 14.739 6.185 ( -20.363 0.000 0.000) 20.363 6.206 ( 8.886 0.000 0.000) 8.886 6.315 ( -4.751 0.000 0.000) 4.751 6.334 ( 12.220 0.000 0.000) 12.220 6.460 ( -14.812 0.000 0.000) 14.812 6.647 ( -18.996 0.000 0.000) 18.996 6.703 ( 13.820 0.000 0.000) 13.820 6.844 ( 22.279 0.000 0.000) 22.279 7.095 ( -20.701 0.000 0.000) 20.701 7.125 ( -6.100 0.000 0.000) 6.100 7.137 ( 30.060 0.000 0.000) 30.060 7.222 ( 14.319 0.000 0.000) 14.319 7.301 ( 12.893 0.000 0.000) 12.893 7.414 ( -1.739 0.000 0.000) 1.739 7.480 ( -11.815 0.000 0.000) 11.815 7.512 ( -10.382 0.000 0.000) 10.382 7.537 ( 5.071 0.000 0.000) 5.071 7.607 ( -2.595 0.000 0.000) 2.595 7.662 ( 10.446 0.000 0.000) 10.446 7.877 ( -11.803 0.000 0.000) 11.803 7.880 ( 3.841 0.000 0.000) 3.841 7.886 ( 9.994 0.000 0.000) 9.994 7.965 ( 22.305 0.000 0.000) 22.305 8.051 ( 20.097 0.000 0.000) 20.097 8.218 ( -3.416 0.000 0.000) 3.416 8.267 ( 26.850 0.000 0.000) 26.850 8.290 ( 24.896 0.000 0.000) 24.896 8.337 ( -8.380 0.000 0.000) 8.380 8.402 ( 15.849 0.000 0.000) 15.849 8.526 ( 18.209 0.000 0.000) 18.209 8.658 ( -13.156 0.000 0.000) 13.156 8.698 ( 22.186 0.000 0.000) 22.186 8.700 ( -7.569 0.000 0.000) 7.569 8.822 ( 21.727 0.000 0.000) 21.727 8.825 ( -17.450 0.000 0.000) 17.450 8.873 ( -19.045 0.000 0.000) 19.045 8.900 ( 18.506 0.000 0.000) 18.506 8.924 ( 2.839 0.000 0.000) 2.839 8.974 ( 6.925 0.000 0.000) 6.925 9.067 ( 20.831 0.000 0.000) 20.831 9.132 ( -6.602 0.000 0.000) 6.602 9.141 ( -7.121 0.000 0.000) 7.121 9.159 ( -13.980 0.000 0.000) 13.980 9.215 ( -13.997 0.000 0.000) 13.997 9.340 ( -28.367 0.000 0.000) 28.367 9.347 ( 1.239 0.000 0.000) 1.239 9.377 ( 7.682 0.000 0.000) 7.682 9.537 ( -14.684 0.000 0.000) 14.684 9.638 ( -23.748 0.000 0.000) 23.748 9.753 ( -22.351 0.000 0.000) 22.351 9.850 ( 6.549 0.000 0.000) 6.549 10.043 ( -11.004 0.000 0.000) 11.004 10.099 ( 2.668 0.000 0.000) 2.668 10.139 ( -1.084 0.000 0.000) 1.084 10.508 ( 4.940 0.000 0.000) 4.940 10.576 ( -1.194 0.000 0.000) 1.194 10.591 ( -3.203 0.000 0.000) 3.203 10.630 ( -4.693 0.000 0.000) 4.693 10.780 ( 1.214 0.000 0.000) 1.214 10.833 ( -2.160 0.000 0.000) 2.160 11.035 ( 5.941 0.000 0.000) 5.941 11.079 ( 6.459 0.000 0.000) 6.459 11.185 ( -8.431 0.000 0.000) 8.431 11.213 ( -6.257 0.000 0.000) 6.257 11.347 ( 2.918 0.000 0.000) 2.918 11.381 ( 2.245 0.000 0.000) 2.245 11.416 ( -3.712 0.000 0.000) 3.712 11.462 ( -5.667 0.000 0.000) 5.667 11.765 ( 3.363 0.000 0.000) 3.363 11.778 ( 2.339 0.000 0.000) 2.339 11.987 ( 19.776 0.000 0.000) 19.776 12.247 ( 3.022 0.000 0.000) 3.022 12.270 ( 0.036 0.000 0.000) 0.036 12.334 ( -10.796 0.000 0.000) 10.796 12.654 ( 11.253 0.000 0.000) 11.253 12.672 ( 8.439 0.000 0.000) 8.439 12.790 ( -3.316 0.000 0.000) 3.316 12.814 ( -3.754 0.000 0.000) 3.754 13.029 ( 20.103 0.000 0.000) 20.103 13.261 ( 15.279 0.000 0.000) 15.279 13.397 ( -14.220 0.000 0.000) 14.220 13.542 ( -10.971 0.000 0.000) 10.971 13.584 ( 17.148 0.000 0.000) 17.148 13.688 ( 14.259 0.000 0.000) 14.259 13.861 ( -11.948 0.000 0.000) 11.948 13.985 ( 2.774 0.000 0.000) 2.774 14.039 ( -17.523 0.000 0.000) 17.523 14.161 ( -12.140 0.000 0.000) 12.140 14.214 ( 4.536 0.000 0.000) 4.536 14.420 ( -14.713 0.000 0.000) 14.713 14.487 ( 6.893 0.000 0.000) 6.893 14.660 ( -9.639 0.000 0.000) 9.639 15.041 ( 18.105 0.000 0.000) 18.105 15.046 ( 7.689 0.000 0.000) 7.689 15.179 ( -5.217 0.000 0.000) 5.217 15.450 ( -19.921 0.000 0.000) 19.921 15.684 ( 4.235 0.000 0.000) 4.235 15.727 ( 8.969 0.000 0.000) 8.969 15.822 ( 3.260 0.000 0.000) 3.260 15.939 ( -0.958 0.000 0.000) 0.958 16.214 ( 3.084 0.000 0.000) 3.084 16.239 ( 3.633 0.000 0.000) 3.633 16.512 ( 11.303 0.000 0.000) 11.303 16.730 ( -9.696 0.000 0.000) 9.696 16.808 ( 10.838 0.000 0.000) 10.838 16.985 ( -3.940 0.000 0.000) 3.940 17.002 ( 1.937 0.000 0.000) 1.937 17.014 ( 0.063 0.000 0.000) 0.063 17.059 ( 8.758 0.000 0.000) 8.758 17.106 ( 3.369 0.000 0.000) 3.369 17.143 ( -1.449 0.000 0.000) 1.449 17.195 ( -3.506 0.000 0.000) 3.506 17.530 ( -1.099 0.000 0.000) 1.099 17.540 ( -2.749 0.000 0.000) 2.749 17.678 ( -1.146 0.000 0.000) 1.146 17.760 ( -9.212 0.000 0.000) 9.212 17.815 ( 13.480 0.000 0.000) 13.480 18.073 ( -10.726 0.000 0.000) 10.726 20.477 ( 17.869 0.000 0.000) 17.869 20.638 ( 23.072 0.000 0.000) 23.072 20.768 ( 21.525 0.000 0.000) 21.525 21.052 ( -35.651 0.000 0.000) 35.651 21.216 ( 24.178 0.000 0.000) 24.178 21.276 ( -36.124 0.000 0.000) 36.124 21.314 ( 38.873 0.000 0.000) 38.873 21.383 ( -35.517 0.000 0.000) 35.517 21.699 ( 31.455 0.000 0.000) 31.455 21.806 ( -31.470 0.000 0.000) 31.470 21.872 ( 28.877 0.000 0.000) 28.877 22.057 ( 26.759 0.000 0.000) 26.759 22.117 ( -36.943 0.000 0.000) 36.943 22.368 ( -31.195 0.000 0.000) 31.195 22.504 ( -30.369 0.000 0.000) 30.369 22.634 ( -27.456 0.000 0.000) 27.456 24.212 ( 1.991 0.000 0.000) 1.991 24.260 ( -2.446 0.000 0.000) 2.446 24.506 ( 0.686 0.000 0.000) 0.686 24.544 ( -2.941 0.000 0.000) 2.941 24.885 ( 3.258 0.000 0.000) 3.258 24.949 ( 7.458 0.000 0.000) 7.458 24.991 ( -6.761 0.000 0.000) 6.761 25.156 ( -12.004 0.000 0.000) 12.004 25.642 ( 10.096 0.000 0.000) 10.096 25.643 ( 11.566 0.000 0.000) 11.566 25.818 ( 10.727 0.000 0.000) 10.727 25.861 ( -8.461 0.000 0.000) 8.461 25.894 ( -14.624 0.000 0.000) 14.624 26.061 ( 20.787 0.000 0.000) 20.787 26.107 ( -17.978 0.000 0.000) 17.978 26.557 ( -26.437 0.000 0.000) 26.437 27.116 ( 7.372 0.000 0.000) 7.372 27.211 ( 9.667 0.000 0.000) 9.667 27.211 ( 9.496 0.000 0.000) 9.496 27.285 ( 9.833 0.000 0.000) 9.833 27.313 ( -11.519 0.000 0.000) 11.519 27.454 ( -13.828 0.000 0.000) 13.828 27.459 ( -14.185 0.000 0.000) 14.185 27.540 ( -14.797 0.000 0.000) 14.797 28.981 ( 13.413 0.000 0.000) 13.413 29.306 ( -17.291 0.000 0.000) 17.291 29.436 ( 20.799 0.000 0.000) 20.799 29.650 ( 19.266 0.000 0.000) 19.266 29.928 ( -26.050 0.000 0.000) 26.050 30.077 ( 27.601 0.000 0.000) 27.601 30.110 ( -24.509 0.000 0.000) 24.509 30.710 ( -32.421 0.000 0.000) 32.421 33.079 ( 10.619 0.000 0.000) 10.619 33.151 ( 9.817 0.000 0.000) 9.817 33.235 ( -4.261 0.000 0.000) 4.261 33.283 ( -2.895 0.000 0.000) 2.895 33.471 ( 8.831 0.000 0.000) 8.831 33.548 ( 1.556 0.000 0.000) 1.556 33.549 ( 8.462 0.000 0.000) 8.462 33.638 ( 0.156 0.000 0.000) 0.156 33.738 ( 8.915 0.000 0.000) 8.915 33.839 ( -0.880 0.000 0.000) 0.880 33.939 ( 5.507 0.000 0.000) 5.507 33.979 ( 2.473 0.000 0.000) 2.473 34.301 ( 6.280 0.000 0.000) 6.280 34.341 ( 2.800 0.000 0.000) 2.800 34.521 ( 13.747 0.000 0.000) 13.747 34.769 ( -9.896 0.000 0.000) 9.896 ======================= Grid point 9 (6/40) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 41.771 0.000) 41.771 0.888 ( 0.000 46.229 0.000) 46.229 1.411 ( 0.000 46.601 0.000) 46.601 1.563 ( 0.000 -7.080 0.000) 7.080 1.661 ( 0.000 -35.949 0.000) 35.949 2.021 ( 0.000 6.422 0.000) 6.422 2.119 ( 0.000 5.367 0.000) 5.367 2.172 ( 0.000 -6.823 0.000) 6.823 2.220 ( 0.000 -3.644 0.000) 3.644 2.749 ( 0.000 -54.968 0.000) 54.968 2.848 ( 0.000 8.878 0.000) 8.878 2.942 ( 0.000 -7.650 0.000) 7.650 3.014 ( 0.000 15.058 0.000) 15.058 3.302 ( 0.000 -12.751 0.000) 12.751 3.473 ( 0.000 0.394 0.000) 0.394 3.474 ( 0.000 0.374 0.000) 0.374 3.475 ( 0.000 1.013 0.000) 1.013 3.502 ( 0.000 -3.428 0.000) 3.428 3.763 ( 0.000 13.955 0.000) 13.955 3.995 ( 0.000 -9.652 0.000) 9.652 4.007 ( 0.000 3.928 0.000) 3.928 4.087 ( 0.000 -3.644 0.000) 3.644 4.361 ( 0.000 9.911 0.000) 9.911 4.435 ( 0.000 -0.550 0.000) 0.550 4.687 ( 0.000 2.170 0.000) 2.170 4.743 ( 0.000 4.532 0.000) 4.532 4.768 ( 0.000 -6.386 0.000) 6.386 4.855 ( 0.000 -6.959 0.000) 6.959 4.961 ( 0.000 9.252 0.000) 9.252 5.073 ( 0.000 8.319 0.000) 8.319 5.153 ( 0.000 -8.048 0.000) 8.048 5.276 ( 0.000 -13.700 0.000) 13.700 5.505 ( 0.000 14.986 0.000) 14.986 5.707 ( 0.000 10.627 0.000) 10.627 5.711 ( 0.000 -7.239 0.000) 7.239 5.958 ( 0.000 -15.149 0.000) 15.149 6.003 ( 0.000 19.364 0.000) 19.364 6.315 ( 0.000 -9.068 0.000) 9.068 6.510 ( 0.000 13.082 0.000) 13.082 6.535 ( 0.000 6.646 0.000) 6.646 6.699 ( 0.000 -10.514 0.000) 10.514 6.742 ( 0.000 -10.912 0.000) 10.912 6.862 ( 0.000 3.652 0.000) 3.652 6.917 ( 0.000 8.361 0.000) 8.361 6.961 ( 0.000 -6.538 0.000) 6.538 7.079 ( 0.000 -6.937 0.000) 6.937 7.198 ( 0.000 1.162 0.000) 1.162 7.199 ( 0.000 3.674 0.000) 3.674 7.209 ( 0.000 4.098 0.000) 4.098 7.232 ( 0.000 -1.942 0.000) 1.942 7.436 ( 0.000 -2.099 0.000) 2.099 7.501 ( 0.000 13.139 0.000) 13.139 7.512 ( 0.000 -8.477 0.000) 8.477 7.730 ( 0.000 9.260 0.000) 9.260 7.776 ( 0.000 -15.225 0.000) 15.225 7.837 ( 0.000 2.393 0.000) 2.393 7.992 ( 0.000 2.453 0.000) 2.453 8.050 ( 0.000 0.783 0.000) 0.783 8.053 ( 0.000 -2.163 0.000) 2.163 8.160 ( 0.000 -7.495 0.000) 7.495 8.313 ( 0.000 1.261 0.000) 1.261 8.354 ( 0.000 -3.547 0.000) 3.547 8.517 ( 0.000 14.782 0.000) 14.782 8.577 ( 0.000 7.740 0.000) 7.740 8.622 ( 0.000 13.055 0.000) 13.055 8.703 ( 0.000 -5.000 0.000) 5.000 8.791 ( 0.000 2.463 0.000) 2.463 8.799 ( 0.000 -14.428 0.000) 14.428 8.876 ( 0.000 -8.251 0.000) 8.251 8.927 ( 0.000 -8.402 0.000) 8.402 9.223 ( 0.000 0.998 0.000) 0.998 9.232 ( 0.000 1.335 0.000) 1.335 9.339 ( 0.000 2.383 0.000) 2.383 9.389 ( 0.000 -2.702 0.000) 2.702 9.563 ( 0.000 4.466 0.000) 4.466 9.692 ( 0.000 -9.465 0.000) 9.465 9.841 ( 0.000 0.530 0.000) 0.530 9.846 ( 0.000 10.462 0.000) 10.462 9.851 ( 0.000 -0.294 0.000) 0.294 9.923 ( 0.000 3.848 0.000) 3.848 10.008 ( 0.000 -4.914 0.000) 4.914 10.020 ( 0.000 -4.644 0.000) 4.644 10.036 ( 0.000 4.962 0.000) 4.962 10.145 ( 0.000 -7.359 0.000) 7.359 10.249 ( 0.000 9.729 0.000) 9.729 10.314 ( 0.000 3.951 0.000) 3.951 10.430 ( 0.000 3.484 0.000) 3.484 10.475 ( 0.000 -2.208 0.000) 2.208 10.490 ( 0.000 -6.777 0.000) 6.777 10.528 ( 0.000 -10.199 0.000) 10.199 10.619 ( 0.000 5.233 0.000) 5.233 10.743 ( 0.000 6.365 0.000) 6.365 10.757 ( 0.000 -10.709 0.000) 10.709 10.866 ( 0.000 -6.896 0.000) 6.896 11.113 ( 0.000 8.464 0.000) 8.464 11.248 ( 0.000 -2.025 0.000) 2.025 11.259 ( 0.000 -2.009 0.000) 2.009 11.296 ( 0.000 -1.531 0.000) 1.531 11.383 ( 0.000 16.267 0.000) 16.267 11.384 ( 0.000 16.739 0.000) 16.739 11.571 ( 0.000 -4.538 0.000) 4.538 11.692 ( 0.000 -14.055 0.000) 14.055 11.699 ( 0.000 3.721 0.000) 3.721 11.703 ( 0.000 0.613 0.000) 0.613 11.718 ( 0.000 -1.895 0.000) 1.895 11.751 ( 0.000 -1.656 0.000) 1.656 11.818 ( 0.000 4.897 0.000) 4.897 11.925 ( 0.000 -2.442 0.000) 2.442 12.269 ( 0.000 -4.112 0.000) 4.112 12.376 ( 0.000 -13.493 0.000) 13.493 12.377 ( 0.000 4.117 0.000) 4.117 12.410 ( 0.000 -0.056 0.000) 0.056 12.596 ( 0.000 3.813 0.000) 3.813 12.697 ( 0.000 -5.828 0.000) 5.828 13.002 ( 0.000 16.747 0.000) 16.747 13.265 ( 0.000 -10.841 0.000) 10.841 13.281 ( 0.000 -0.522 0.000) 0.522 13.287 ( 0.000 -0.437 0.000) 0.437 13.490 ( 0.000 7.270 0.000) 7.270 13.607 ( 0.000 -4.847 0.000) 4.847 13.630 ( 0.000 10.101 0.000) 10.101 13.819 ( 0.000 -9.007 0.000) 9.007 14.072 ( 0.000 10.801 0.000) 10.801 14.159 ( 0.000 1.843 0.000) 1.843 14.177 ( 0.000 -0.114 0.000) 0.114 14.299 ( 0.000 -11.764 0.000) 11.764 14.473 ( 0.000 2.073 0.000) 2.073 14.512 ( 0.000 -1.767 0.000) 1.767 15.253 ( 0.000 1.602 0.000) 1.602 15.288 ( 0.000 -1.895 0.000) 1.895 15.321 ( 0.000 0.297 0.000) 0.297 15.324 ( 0.000 0.059 0.000) 0.059 15.553 ( 0.000 2.929 0.000) 2.929 15.630 ( 0.000 -5.078 0.000) 5.078 15.858 ( 0.000 5.132 0.000) 5.132 15.907 ( 0.000 14.064 0.000) 14.064 15.941 ( 0.000 -3.604 0.000) 3.604 16.262 ( 0.000 -23.144 0.000) 23.144 16.379 ( 0.000 5.448 0.000) 5.448 16.496 ( 0.000 -6.480 0.000) 6.480 16.722 ( 0.000 2.781 0.000) 2.781 16.725 ( 0.000 11.597 0.000) 11.597 16.759 ( 0.000 -1.228 0.000) 1.228 17.017 ( 0.000 -18.424 0.000) 18.424 17.170 ( 0.000 16.059 0.000) 16.059 17.422 ( 0.000 -9.732 0.000) 9.732 17.965 ( 0.000 3.178 0.000) 3.178 18.044 ( 0.000 -4.922 0.000) 4.922 18.081 ( 0.000 28.023 0.000) 28.023 18.509 ( 0.000 7.205 0.000) 7.205 18.526 ( 0.000 -18.053 0.000) 18.053 18.634 ( 0.000 -5.449 0.000) 5.449 20.039 ( 0.000 -0.301 0.000) 0.301 20.092 ( 0.000 -5.659 0.000) 5.659 20.475 ( 0.000 9.856 0.000) 9.856 20.599 ( 0.000 3.129 0.000) 3.129 20.719 ( 0.000 -4.112 0.000) 4.112 20.808 ( 0.000 -6.312 0.000) 6.312 21.014 ( 0.000 5.329 0.000) 5.329 21.081 ( 0.000 -2.082 0.000) 2.082 23.788 ( 0.000 1.406 0.000) 1.406 23.821 ( 0.000 -1.579 0.000) 1.579 23.869 ( 0.000 0.454 0.000) 0.454 23.884 ( 0.000 -0.540 0.000) 0.540 23.974 ( 0.000 0.737 0.000) 0.737 24.003 ( 0.000 -2.433 0.000) 2.433 24.141 ( 0.000 3.458 0.000) 3.458 24.182 ( 0.000 -0.285 0.000) 0.285 24.354 ( 0.000 0.020 0.000) 0.020 24.377 ( 0.000 -1.973 0.000) 1.973 24.439 ( 0.000 0.479 0.000) 0.479 24.442 ( 0.000 0.107 0.000) 0.107 24.936 ( 0.000 11.372 0.000) 11.372 24.966 ( 0.000 1.888 0.000) 1.888 25.011 ( 0.000 -2.636 0.000) 2.636 25.103 ( 0.000 1.116 0.000) 1.116 25.115 ( 0.000 -0.234 0.000) 0.234 25.202 ( 0.000 -15.898 0.000) 15.898 25.912 ( 0.000 10.428 0.000) 10.428 26.066 ( 0.000 -5.811 0.000) 5.811 26.789 ( 0.000 0.064 0.000) 0.064 26.791 ( 0.000 -0.107 0.000) 0.107 26.812 ( 0.000 0.994 0.000) 0.994 26.831 ( 0.000 -0.918 0.000) 0.918 27.385 ( 0.000 6.679 0.000) 6.679 27.558 ( 0.000 -11.564 0.000) 11.564 28.140 ( 0.000 15.744 0.000) 15.744 28.424 ( 0.000 -14.186 0.000) 14.186 28.605 ( 0.000 1.328 0.000) 1.328 28.637 ( 0.000 -1.952 0.000) 1.952 28.708 ( 0.000 1.209 0.000) 1.209 28.724 ( 0.000 -0.590 0.000) 0.590 29.101 ( 0.000 12.142 0.000) 12.142 29.344 ( 0.000 -14.008 0.000) 14.008 29.934 ( 0.000 17.731 0.000) 17.731 30.251 ( 0.000 -15.335 0.000) 15.335 31.620 ( 0.000 12.427 0.000) 12.427 31.750 ( 0.000 -2.081 0.000) 2.081 31.794 ( 0.000 0.046 0.000) 0.046 31.796 ( 0.000 -0.096 0.000) 0.096 31.846 ( 0.000 4.617 0.000) 4.617 32.076 ( 0.000 -17.959 0.000) 17.959 32.288 ( 0.000 0.247 0.000) 0.247 32.294 ( 0.000 -0.225 0.000) 0.225 32.297 ( 0.000 0.069 0.000) 0.069 32.304 ( 0.000 -1.495 0.000) 1.495 32.824 ( 0.000 0.294 0.000) 0.294 32.830 ( 0.000 -0.349 0.000) 0.349 32.864 ( 0.000 17.475 0.000) 17.475 33.123 ( 0.000 1.068 0.000) 1.068 33.125 ( 0.000 -10.182 0.000) 10.182 33.144 ( 0.000 -0.966 0.000) 0.966 33.331 ( 0.000 0.372 0.000) 0.372 33.340 ( 0.000 -0.595 0.000) 0.595 33.713 ( 0.000 1.702 0.000) 1.702 33.746 ( 0.000 -1.524 0.000) 1.524 ======================= Grid point 10 (7/40) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 27.689 31.117 0.000) 41.653 1.357 ( 29.329 35.035 0.000) 45.691 1.797 ( 12.441 -26.036 0.000) 28.856 1.899 ( 32.706 -7.542 0.000) 33.565 2.073 ( 40.175 17.732 0.000) 43.914 2.184 ( 6.600 2.647 0.000) 7.111 2.285 ( 6.067 -5.771 0.000) 8.373 2.602 ( 35.956 5.001 0.000) 36.302 2.663 ( 38.960 -4.023 0.000) 39.168 2.851 ( 15.369 -33.839 0.000) 37.166 3.393 ( 36.463 7.833 0.000) 37.295 3.416 ( 46.338 -1.158 0.000) 46.352 3.427 ( -1.082 7.213 0.000) 7.294 3.499 ( 41.829 -2.452 0.000) 41.901 3.542 ( 5.130 -3.766 0.000) 6.364 3.644 ( 26.388 -8.557 0.000) 27.741 3.784 ( 30.989 5.269 0.000) 31.434 3.862 ( 7.803 9.278 0.000) 12.123 3.927 ( 35.822 -8.648 0.000) 36.851 4.035 ( 3.881 -7.649 0.000) 8.578 4.275 ( 18.187 4.690 0.000) 18.782 4.349 ( 12.377 -0.762 0.000) 12.401 4.607 ( 19.085 3.188 0.000) 19.350 4.671 ( 33.243 -3.499 0.000) 33.427 4.796 ( 15.566 2.055 0.000) 15.701 4.854 ( 15.995 -2.397 0.000) 16.173 4.905 ( -4.236 6.197 0.000) 7.506 4.910 ( 13.495 2.458 0.000) 13.718 4.972 ( 11.067 -3.838 0.000) 11.714 4.977 ( -4.969 1.867 0.000) 5.309 5.292 ( 8.541 -3.497 0.000) 9.229 5.341 ( 5.432 -8.240 0.000) 9.869 5.515 ( 2.075 9.475 0.000) 9.700 5.646 ( -1.661 -3.498 0.000) 3.872 5.725 ( 3.727 9.243 0.000) 9.966 5.926 ( 2.413 -5.660 0.000) 6.153 6.144 ( 10.640 10.038 0.000) 14.628 6.408 ( -9.262 11.670 0.000) 14.899 6.419 ( 7.957 -11.385 0.000) 13.890 6.618 ( -11.804 -10.102 0.000) 15.537 6.677 ( 4.198 -1.884 0.000) 4.601 6.726 ( -3.374 -5.841 0.000) 6.746 6.782 ( -8.473 3.172 0.000) 9.047 6.871 ( -9.623 -5.605 0.000) 11.136 6.999 ( 11.102 7.665 0.000) 13.491 7.095 ( -9.441 7.946 0.000) 12.340 7.135 ( 5.097 -4.624 0.000) 6.881 7.155 ( -5.750 2.854 0.000) 6.420 7.228 ( 1.880 2.036 0.000) 2.771 7.295 ( 6.143 -3.820 0.000) 7.234 7.359 ( -7.980 -4.011 0.000) 8.931 7.403 ( -8.941 -7.589 0.000) 11.728 7.412 ( -2.517 13.614 0.000) 13.844 7.667 ( -9.959 8.174 0.000) 12.884 7.732 ( -2.134 -19.192 0.000) 19.311 7.733 ( -3.884 6.693 0.000) 7.738 7.802 ( -15.113 -1.933 0.000) 15.236 7.932 ( -3.792 -10.095 0.000) 10.784 8.051 ( -5.511 1.292 0.000) 5.660 8.080 ( -2.956 -0.396 0.000) 2.983 8.262 ( -7.177 3.213 0.000) 7.863 8.356 ( -5.818 -5.837 0.000) 8.241 8.420 ( -5.957 3.713 0.000) 7.019 8.509 ( -5.180 -3.698 0.000) 6.365 8.573 ( 3.039 14.835 0.000) 15.143 8.703 ( -6.049 4.097 0.000) 7.306 8.725 ( -17.127 9.567 0.000) 19.618 8.781 ( -7.481 -3.012 0.000) 8.065 8.882 ( 12.505 10.327 0.000) 16.218 9.044 ( -6.845 11.493 0.000) 13.377 9.053 ( 7.421 -5.970 0.000) 9.524 9.217 ( -14.767 2.256 0.000) 14.939 9.341 ( 7.853 5.562 0.000) 9.623 9.376 ( -5.444 -3.735 0.000) 6.602 9.444 ( 12.352 -5.040 0.000) 13.340 9.468 ( -17.589 -11.391 0.000) 20.955 9.695 ( -5.952 7.582 0.000) 9.639 9.801 ( -1.560 1.734 0.000) 2.332 9.863 ( -1.132 -4.349 0.000) 4.493 9.876 ( -9.760 -8.182 0.000) 12.736 9.906 ( -0.389 0.984 0.000) 1.058 9.973 ( -3.508 -3.951 0.000) 5.283 10.022 ( -9.850 6.517 0.000) 11.811 10.129 ( 4.396 0.618 0.000) 4.440 10.130 ( -14.561 -6.354 0.000) 15.887 10.136 ( 0.423 0.002 0.000) 0.423 10.359 ( -5.288 3.941 0.000) 6.595 10.433 ( -3.997 -4.003 0.000) 5.656 10.491 ( 8.802 4.605 0.000) 9.934 10.581 ( -3.136 0.794 0.000) 3.235 10.639 ( 1.471 8.474 0.000) 8.601 10.684 ( 5.777 7.510 0.000) 9.475 10.827 ( 4.753 -11.575 0.000) 12.513 10.916 ( 0.323 -12.035 0.000) 12.040 11.037 ( -4.811 7.587 0.000) 8.984 11.164 ( -3.986 -4.935 0.000) 6.343 11.228 ( 1.443 1.889 0.000) 2.377 11.280 ( 0.340 -1.998 0.000) 2.027 11.299 ( -6.910 11.175 0.000) 13.139 11.416 ( 4.082 13.174 0.000) 13.792 11.457 ( -10.164 -5.479 0.000) 11.547 11.648 ( 4.977 -11.910 0.000) 12.908 11.710 ( -0.131 3.826 0.000) 3.828 11.738 ( -1.760 -0.644 0.000) 1.875 11.774 ( -4.096 4.811 0.000) 6.318 11.850 ( 10.750 4.774 0.000) 11.762 11.859 ( -5.865 -0.828 0.000) 5.924 11.966 ( 10.230 -6.111 0.000) 11.916 12.266 ( 0.554 -1.100 0.000) 1.232 12.286 ( -2.246 13.075 0.000) 13.266 12.402 ( 2.433 -11.987 0.000) 12.232 12.484 ( -0.689 -7.734 0.000) 7.765 12.712 ( 13.365 2.777 0.000) 13.651 12.742 ( 21.350 -0.503 0.000) 21.356 12.878 ( -8.684 14.100 0.000) 16.559 13.111 ( -11.426 -9.805 0.000) 15.056 13.692 ( 3.917 7.586 0.000) 8.538 13.743 ( 23.443 3.982 0.000) 23.779 13.769 ( 15.823 1.592 0.000) 15.903 13.824 ( -1.107 -5.577 0.000) 5.685 13.966 ( 22.685 3.858 0.000) 23.011 14.003 ( 16.557 1.232 0.000) 16.603 14.213 ( 2.968 2.218 0.000) 3.705 14.253 ( 6.882 -1.753 0.000) 7.101 14.428 ( 10.827 3.541 0.000) 11.392 14.488 ( -0.126 -2.015 0.000) 2.019 14.504 ( 14.161 7.499 0.000) 16.024 15.163 ( -8.767 1.653 0.000) 8.922 15.166 ( 58.287 -68.055 0.000) 89.604 15.207 ( -7.674 -2.817 0.000) 8.175 15.295 ( -1.856 2.015 0.000) 2.740 15.333 ( -0.137 -1.882 0.000) 1.887 15.559 ( 0.644 4.901 0.000) 4.943 15.662 ( 2.482 -5.743 0.000) 6.257 15.840 ( -0.375 4.247 0.000) 4.264 15.910 ( -1.532 -3.100 0.000) 3.458 15.993 ( 8.937 16.995 0.000) 19.201 16.422 ( 2.850 5.728 0.000) 6.398 16.475 ( 20.022 -38.056 0.000) 43.001 16.547 ( 3.889 -7.149 0.000) 8.138 16.738 ( 1.259 11.475 0.000) 11.544 16.796 ( 6.895 4.672 0.000) 8.329 16.865 ( 9.611 -2.679 0.000) 9.978 17.035 ( 1.760 -20.260 0.000) 20.336 17.162 ( -0.402 15.628 0.000) 15.633 17.419 ( 1.051 -11.012 0.000) 11.062 17.830 ( -12.284 2.689 0.000) 12.575 17.895 ( -13.185 -3.859 0.000) 13.738 18.065 ( -1.229 23.213 0.000) 23.246 18.345 ( -14.286 5.776 0.000) 15.410 18.448 ( -16.229 -4.533 0.000) 16.851 18.454 ( -6.634 -15.863 0.000) 17.194 20.022 ( 0.436 14.950 0.000) 14.957 20.190 ( 8.358 -7.493 0.000) 11.225 20.496 ( -1.153 4.229 0.000) 4.383 20.522 ( -3.337 4.189 0.000) 5.356 20.700 ( -5.597 -4.103 0.000) 6.940 20.729 ( -2.502 -6.390 0.000) 6.862 20.959 ( -3.182 4.979 0.000) 5.909 21.030 ( -1.811 -2.574 0.000) 3.147 23.557 ( -28.860 0.103 0.000) 28.860 23.564 ( -27.717 -0.674 0.000) 27.726 23.655 ( -16.572 1.160 0.000) 16.612 23.657 ( -15.559 0.403 0.000) 15.564 23.748 ( -14.169 2.506 0.000) 14.389 23.824 ( -22.056 -2.603 0.000) 22.209 23.859 ( -12.885 0.393 0.000) 12.891 23.930 ( -15.911 -4.525 0.000) 16.541 24.368 ( 2.727 7.826 0.000) 8.287 24.462 ( 6.193 3.798 0.000) 7.264 24.549 ( 6.022 -4.086 0.000) 7.277 24.623 ( 8.648 -5.945 0.000) 10.494 24.904 ( -2.936 11.141 0.000) 11.522 25.098 ( 8.316 3.584 0.000) 9.055 25.150 ( -5.432 -11.274 0.000) 12.515 25.155 ( 9.873 -0.948 0.000) 9.919 25.184 ( 6.940 0.029 0.000) 6.940 25.207 ( 8.402 -1.041 0.000) 8.466 25.800 ( -19.388 23.416 0.000) 30.401 25.973 ( -13.781 3.704 0.000) 14.271 26.382 ( -50.924 66.235 0.000) 83.548 26.831 ( 3.208 0.399 0.000) 3.232 26.832 ( 3.606 0.294 0.000) 3.618 26.860 ( 4.336 -0.181 0.000) 4.339 26.863 ( 2.982 -0.496 0.000) 3.023 27.210 ( -32.674 -25.970 0.000) 41.738 28.003 ( -14.554 13.727 0.000) 20.006 28.244 ( -18.219 -10.422 0.000) 20.989 28.462 ( -43.973 32.693 0.000) 54.794 28.620 ( 3.008 0.158 0.000) 3.013 28.624 ( -0.058 -0.171 0.000) 0.180 28.783 ( -31.087 1.543 0.000) 31.126 28.828 ( 10.988 0.823 0.000) 11.019 28.844 ( 8.795 -0.809 0.000) 8.833 28.985 ( -33.850 -3.758 0.000) 34.058 29.036 ( -45.494 -6.662 0.000) 45.979 30.526 ( -13.141 23.803 0.000) 27.190 31.131 ( -24.551 -35.992 0.000) 43.568 31.883 ( 1.615 3.772 0.000) 4.103 31.919 ( 7.235 -0.924 0.000) 7.294 32.234 ( 9.589 4.338 0.000) 10.524 32.283 ( 14.687 -1.416 0.000) 14.755 32.419 ( 13.503 3.076 0.000) 13.849 32.486 ( 22.555 -3.147 0.000) 22.774 32.856 ( 3.295 7.363 0.000) 8.066 32.931 ( 9.625 0.606 0.000) 9.644 32.944 ( 10.265 -0.720 0.000) 10.290 33.032 ( -5.058 -8.575 0.000) 9.955 33.154 ( 2.716 0.888 0.000) 2.857 33.170 ( 2.312 -0.759 0.000) 2.433 33.427 ( 8.543 0.233 0.000) 8.546 33.432 ( 8.306 -0.314 0.000) 8.312 33.454 ( 50.019 34.058 0.000) 60.514 33.746 ( 3.497 1.081 0.000) 3.660 33.767 ( 2.463 -1.012 0.000) 2.663 34.323 ( 45.145 -58.465 0.000) 73.867 ======================= Grid point 11 (8/40) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 34.914 14.915 0.000) 37.966 2.032 ( 34.986 21.139 0.000) 40.876 2.141 ( 19.168 -6.281 0.000) 20.171 2.409 ( 14.325 -2.674 0.000) 14.573 2.458 ( 25.193 -22.560 0.000) 33.817 2.483 ( 14.097 -9.141 0.000) 16.801 2.893 ( 35.079 18.379 0.000) 39.602 3.131 ( 20.914 2.446 0.000) 21.057 3.315 ( 22.618 -0.006 0.000) 22.618 3.457 ( 31.061 -18.050 0.000) 35.925 3.475 ( 6.267 12.394 0.000) 13.888 3.701 ( 9.912 -9.839 0.000) 13.966 3.894 ( 12.987 7.105 0.000) 14.804 4.039 ( 8.610 6.176 0.000) 10.596 4.048 ( 10.928 -10.351 0.000) 15.052 4.157 ( 7.433 -5.313 0.000) 9.137 4.161 ( 7.988 -0.945 0.000) 8.044 4.169 ( 7.822 -2.751 0.000) 8.292 4.754 ( 47.343 4.660 0.000) 47.572 4.785 ( 31.299 6.297 0.000) 31.926 4.816 ( -4.041 4.632 0.000) 6.147 4.843 ( 38.606 8.467 0.000) 39.523 4.892 ( -3.075 -0.936 0.000) 3.214 4.955 ( 40.242 -0.095 0.000) 40.242 5.019 ( 20.510 -8.368 0.000) 22.151 5.091 ( 36.720 -9.026 0.000) 37.813 5.311 ( 17.333 6.677 0.000) 18.575 5.388 ( 22.892 -2.019 0.000) 22.981 5.425 ( 3.868 0.207 0.000) 3.874 5.442 ( 25.312 1.756 0.000) 25.372 5.479 ( 30.224 -1.928 0.000) 30.285 5.502 ( 8.427 -5.361 0.000) 9.987 5.814 ( 32.137 2.406 0.000) 32.227 5.895 ( 32.400 -5.280 0.000) 32.827 6.132 ( 36.162 4.222 0.000) 36.408 6.139 ( -16.120 6.666 0.000) 17.444 6.214 ( 30.420 -3.170 0.000) 30.585 6.249 ( -22.770 -4.375 0.000) 23.186 6.397 ( 9.809 8.662 0.000) 13.086 6.498 ( -17.995 0.524 0.000) 18.003 6.521 ( -11.713 -3.347 0.000) 12.182 6.545 ( -5.033 3.175 0.000) 5.951 6.555 ( -18.227 -4.202 0.000) 18.705 6.651 ( 12.611 -6.552 0.000) 14.211 6.800 ( -17.911 11.920 0.000) 21.515 6.966 ( -13.636 -2.376 0.000) 13.841 7.121 ( -13.374 -1.265 0.000) 13.434 7.133 ( 2.631 9.902 0.000) 10.245 7.196 ( -9.720 -8.155 0.000) 12.688 7.345 ( 9.135 -5.482 0.000) 10.654 7.364 ( 17.416 3.615 0.000) 17.788 7.455 ( -7.310 4.597 0.000) 8.635 7.476 ( 11.310 -9.580 0.000) 14.822 7.535 ( -8.949 -3.726 0.000) 9.693 7.652 ( -6.634 6.829 0.000) 9.521 7.668 ( 24.424 3.569 0.000) 24.684 7.793 ( -11.548 -7.025 0.000) 13.517 7.808 ( 11.345 -12.585 0.000) 16.944 7.924 ( -6.875 2.244 0.000) 7.232 7.957 ( -5.792 -1.260 0.000) 5.927 8.115 ( -5.264 3.566 0.000) 6.358 8.178 ( -9.996 -2.132 0.000) 10.221 8.298 ( -4.499 6.272 0.000) 7.718 8.383 ( -11.447 20.268 0.000) 23.277 8.483 ( -0.977 -11.466 0.000) 11.508 8.560 ( -4.302 10.579 0.000) 11.420 8.590 ( -3.458 5.832 0.000) 6.780 8.693 ( -1.156 -4.015 0.000) 4.178 8.823 ( -15.230 -4.480 0.000) 15.875 8.961 ( -15.135 -13.442 0.000) 20.242 9.056 ( 3.451 4.012 0.000) 5.292 9.116 ( -1.362 -2.489 0.000) 2.837 9.248 ( -3.319 3.890 0.000) 5.113 9.309 ( -0.083 -2.150 0.000) 2.152 9.438 ( 0.119 10.150 0.000) 10.151 9.573 ( -5.710 3.462 0.000) 6.678 9.576 ( -2.152 -1.608 0.000) 2.687 9.668 ( -9.696 -3.016 0.000) 10.154 9.730 ( -6.489 4.623 0.000) 7.967 9.791 ( -6.345 -1.713 0.000) 6.572 9.853 ( -7.103 -0.172 0.000) 7.106 9.872 ( -3.153 -6.169 0.000) 6.928 9.916 ( -1.704 -8.871 0.000) 9.033 9.922 ( -3.711 -4.203 0.000) 5.607 10.130 ( -2.860 4.138 0.000) 5.030 10.176 ( -2.878 -0.055 0.000) 2.879 10.255 ( -1.667 5.833 0.000) 6.066 10.365 ( -1.486 -5.606 0.000) 5.800 10.497 ( -3.724 6.052 0.000) 7.106 10.588 ( -0.659 -4.160 0.000) 4.212 10.635 ( -2.134 11.337 0.000) 11.536 10.810 ( 4.517 3.946 0.000) 5.998 10.868 ( -3.295 -12.217 0.000) 12.653 10.895 ( 0.827 -2.071 0.000) 2.230 11.053 ( 3.168 5.664 0.000) 6.490 11.124 ( -9.662 4.547 0.000) 10.679 11.160 ( 3.103 -4.917 0.000) 5.814 11.231 ( -8.161 -7.386 0.000) 11.006 11.269 ( 2.592 1.846 0.000) 3.182 11.316 ( 3.460 -3.310 0.000) 4.788 11.587 ( 11.615 10.931 0.000) 15.949 11.640 ( -7.309 0.960 0.000) 7.371 11.653 ( -6.983 3.470 0.000) 7.798 11.676 ( -3.455 0.959 0.000) 3.585 11.723 ( -5.770 -0.108 0.000) 5.771 11.801 ( 9.641 -12.053 0.000) 15.434 12.140 ( 16.166 3.455 0.000) 16.531 12.217 ( 13.703 -2.401 0.000) 13.912 12.322 ( 4.529 5.161 0.000) 6.866 12.334 ( 6.397 10.038 0.000) 11.903 12.460 ( 2.289 -3.700 0.000) 4.350 12.552 ( 7.130 -11.921 0.000) 13.891 12.747 ( -2.420 5.585 0.000) 6.087 12.900 ( -7.532 -7.391 0.000) 10.552 12.982 ( 13.391 9.977 0.000) 16.699 13.141 ( 14.738 -6.744 0.000) 16.207 13.730 ( -0.789 1.116 0.000) 1.366 13.762 ( -4.579 -1.736 0.000) 4.897 14.009 ( 5.058 7.968 0.000) 9.438 14.174 ( 0.063 -8.039 0.000) 8.039 14.244 ( 14.975 4.459 0.000) 15.625 14.259 ( 0.386 5.659 0.000) 5.672 14.345 ( 15.276 -6.388 0.000) 16.558 14.358 ( 1.687 -4.167 0.000) 4.495 14.573 ( 19.555 2.374 0.000) 19.698 14.609 ( 19.004 -0.773 0.000) 19.019 14.889 ( -16.834 2.920 0.000) 17.085 14.971 ( -14.471 -5.771 0.000) 15.579 15.226 ( -5.299 5.628 0.000) 7.730 15.233 ( 33.216 21.028 0.000) 39.313 15.311 ( -2.193 -3.160 0.000) 3.846 15.569 ( 0.082 5.355 0.000) 5.356 15.702 ( 1.040 -7.212 0.000) 7.287 15.739 ( 10.650 -27.185 0.000) 29.197 15.867 ( 2.662 4.402 0.000) 5.144 15.960 ( 6.956 -4.594 0.000) 8.336 16.292 ( 16.965 18.342 0.000) 24.985 16.454 ( -0.102 8.676 0.000) 8.676 16.630 ( 3.858 -9.858 0.000) 10.585 16.771 ( 3.600 1.450 0.000) 3.881 16.802 ( 5.079 -16.472 0.000) 17.238 16.986 ( 10.331 8.781 0.000) 13.558 17.068 ( 0.669 -17.863 0.000) 17.876 17.122 ( 13.884 -5.512 0.000) 14.938 17.175 ( 2.274 17.115 0.000) 17.265 17.495 ( -17.786 3.032 0.000) 18.043 17.540 ( 8.769 -18.106 0.000) 20.118 17.561 ( -17.086 -3.624 0.000) 17.466 17.997 ( -16.697 3.469 0.000) 17.053 18.047 ( -0.198 5.819 0.000) 5.823 18.059 ( -18.090 -2.728 0.000) 18.294 18.263 ( -11.213 -10.109 0.000) 15.097 20.129 ( 10.734 17.409 0.000) 20.453 20.361 ( 0.355 -7.748 0.000) 7.757 20.445 ( -3.570 0.427 0.000) 3.595 20.473 ( 2.687 -2.074 0.000) 3.394 20.604 ( 1.780 0.903 0.000) 1.996 20.675 ( 1.044 -6.084 0.000) 6.173 21.025 ( 11.433 6.171 0.000) 12.992 21.141 ( 12.079 -5.252 0.000) 13.172 22.808 ( -40.436 1.729 0.000) 40.473 22.854 ( -38.661 -3.050 0.000) 38.782 23.053 ( -34.281 4.986 0.000) 34.642 23.141 ( -32.184 -4.100 0.000) 32.444 23.399 ( -18.488 3.407 0.000) 18.799 23.423 ( -19.763 0.924 0.000) 19.785 23.547 ( -18.234 -1.964 0.000) 18.339 23.581 ( -18.986 -4.292 0.000) 19.465 24.416 ( 1.198 9.097 0.000) 9.175 24.547 ( 1.925 2.197 0.000) 2.920 24.652 ( 3.591 -4.569 0.000) 5.812 24.742 ( 2.995 -7.061 0.000) 7.670 24.813 ( -6.451 13.690 0.000) 15.134 24.906 ( -16.907 34.319 0.000) 38.257 25.195 ( -14.746 9.444 0.000) 17.510 25.277 ( 9.161 5.105 0.000) 10.487 25.342 ( 8.075 2.969 0.000) 8.603 25.370 ( 10.390 -3.263 0.000) 10.890 25.403 ( 9.497 -2.119 0.000) 9.731 25.691 ( -16.176 -4.499 0.000) 16.790 26.080 ( -4.646 4.912 0.000) 6.761 26.468 ( -29.009 -32.896 0.000) 43.860 26.909 ( 4.117 0.220 0.000) 4.123 26.916 ( 4.095 -0.525 0.000) 4.128 26.952 ( 5.363 1.195 0.000) 5.495 26.973 ( 5.915 -0.921 0.000) 5.986 27.494 ( -30.773 16.127 0.000) 34.743 27.715 ( -29.208 -6.737 0.000) 29.975 27.969 ( -17.473 5.478 0.000) 18.311 28.121 ( -23.526 -8.846 0.000) 25.134 28.347 ( -26.180 2.862 0.000) 26.336 28.386 ( -26.227 -1.355 0.000) 26.262 28.666 ( 4.321 3.164 0.000) 5.356 28.737 ( 7.890 -3.929 0.000) 8.814 29.075 ( 13.202 2.694 0.000) 13.474 29.121 ( 16.539 -1.911 0.000) 16.649 30.205 ( -17.724 16.540 0.000) 24.242 30.640 ( -23.760 -28.747 0.000) 37.295 31.616 ( -24.316 17.990 0.000) 30.247 31.861 ( -17.728 -8.729 0.000) 19.761 32.505 ( 13.756 -0.414 0.000) 13.762 32.507 ( 15.284 -0.675 0.000) 15.299 32.870 ( 22.760 10.954 0.000) 25.259 32.983 ( 17.991 6.035 0.000) 18.976 33.101 ( 13.279 -6.178 0.000) 14.646 33.138 ( 23.878 -16.809 0.000) 29.201 33.182 ( 12.343 1.060 0.000) 12.388 33.206 ( 9.532 -1.281 0.000) 9.618 33.229 ( 4.904 0.431 0.000) 4.923 33.238 ( 7.727 -0.277 0.000) 7.732 33.631 ( 9.236 0.292 0.000) 9.240 33.636 ( 9.384 -0.197 0.000) 9.386 33.882 ( 9.259 0.436 0.000) 9.269 33.891 ( 11.059 -0.459 0.000) 11.068 34.171 ( 21.251 31.752 0.000) 38.207 34.758 ( 7.058 -28.163 0.000) 29.034 ======================= Grid point 12 (9/40) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 22.540 1.623 0.000) 22.598 2.595 ( 23.266 -2.367 0.000) 23.386 2.741 ( 29.957 9.052 0.000) 31.295 2.790 ( 26.288 4.596 0.000) 26.687 2.906 ( 24.151 -4.421 0.000) 24.553 2.982 ( 23.042 -15.860 0.000) 27.973 3.503 ( 17.355 17.356 0.000) 24.545 3.588 ( 25.197 7.774 0.000) 26.369 3.681 ( 13.295 1.852 0.000) 13.423 3.689 ( 13.791 11.710 0.000) 18.092 3.928 ( 8.413 -11.878 0.000) 14.555 3.941 ( 12.269 -12.881 0.000) 17.789 4.046 ( 9.265 1.505 0.000) 9.387 4.133 ( -0.084 -5.766 0.000) 5.766 4.194 ( 2.173 0.840 0.000) 2.330 4.205 ( 6.338 5.246 0.000) 8.227 4.320 ( 7.482 -6.425 0.000) 9.862 4.352 ( 9.776 -14.237 0.000) 17.271 4.726 ( -5.129 5.177 0.000) 7.287 4.832 ( -3.831 -4.635 0.000) 6.013 4.923 ( 2.926 8.875 0.000) 9.345 5.075 ( 5.762 -4.171 0.000) 7.114 5.347 ( 11.006 12.253 0.000) 16.470 5.418 ( -7.739 9.975 0.000) 12.625 5.529 ( 10.740 -4.967 0.000) 11.833 5.568 ( 6.331 1.867 0.000) 6.601 5.579 ( -6.261 -4.772 0.000) 7.872 5.611 ( 16.358 -1.623 0.000) 16.438 5.739 ( -21.508 1.446 0.000) 21.557 5.798 ( 2.828 -1.612 0.000) 3.255 5.806 ( -10.468 -4.948 0.000) 11.579 5.849 ( 3.654 -5.792 0.000) 6.848 6.098 ( -17.629 1.908 0.000) 17.732 6.106 ( 0.135 2.781 0.000) 2.784 6.140 ( 20.880 -1.076 0.000) 20.908 6.163 ( -19.544 -3.193 0.000) 19.803 6.187 ( 38.352 -1.029 0.000) 38.365 6.200 ( 30.413 -1.588 0.000) 30.454 6.450 ( -13.234 7.201 0.000) 15.066 6.584 ( -20.605 -5.619 0.000) 21.357 6.617 ( 23.396 10.638 0.000) 25.701 6.730 ( 31.439 -1.958 0.000) 31.500 6.838 ( -13.871 4.728 0.000) 14.655 6.945 ( 27.168 5.972 0.000) 27.817 6.960 ( -14.059 -7.935 0.000) 16.144 7.035 ( 38.008 -2.559 0.000) 38.094 7.078 ( 38.022 1.545 0.000) 38.054 7.212 ( 35.976 -9.165 0.000) 37.125 7.326 ( -6.860 6.394 0.000) 9.378 7.396 ( 27.062 6.539 0.000) 27.841 7.409 ( -3.359 -1.719 0.000) 3.773 7.501 ( -11.480 0.876 0.000) 11.514 7.540 ( -4.950 -1.587 0.000) 5.198 7.616 ( 20.172 -14.467 0.000) 24.823 7.790 ( -10.094 1.133 0.000) 10.158 7.805 ( 18.856 2.415 0.000) 19.010 7.819 ( -5.677 -1.166 0.000) 5.795 7.836 ( 27.817 2.236 0.000) 27.907 7.901 ( -12.256 5.965 0.000) 13.630 7.999 ( -7.168 -4.025 0.000) 8.221 8.097 ( 11.046 6.478 0.000) 12.805 8.178 ( 16.389 0.767 0.000) 16.407 8.279 ( 0.852 4.970 0.000) 5.042 8.368 ( 14.921 2.591 0.000) 15.145 8.440 ( -2.596 -8.369 0.000) 8.763 8.469 ( 0.057 5.745 0.000) 5.745 8.575 ( 0.457 1.040 0.000) 1.136 8.626 ( 0.952 -9.100 0.000) 9.149 8.686 ( -6.272 -8.642 0.000) 10.678 8.691 ( -0.195 -7.774 0.000) 7.776 9.003 ( -7.251 2.113 0.000) 7.552 9.045 ( -5.223 -1.998 0.000) 5.592 9.147 ( -4.600 9.715 0.000) 10.749 9.271 ( -5.115 -2.635 0.000) 5.753 9.321 ( -10.897 6.890 0.000) 12.892 9.385 ( -13.911 -1.247 0.000) 13.967 9.441 ( -6.824 3.736 0.000) 7.780 9.489 ( -6.876 0.961 0.000) 6.943 9.565 ( -9.017 10.905 0.000) 14.150 9.581 ( -13.898 7.440 0.000) 15.764 9.703 ( -13.925 -6.547 0.000) 15.387 9.790 ( 1.704 3.456 0.000) 3.853 9.825 ( -7.827 -10.574 0.000) 13.156 9.941 ( 3.887 -9.277 0.000) 10.058 9.985 ( -11.359 1.255 0.000) 11.428 10.016 ( -11.303 0.457 0.000) 11.313 10.247 ( -2.606 3.300 0.000) 4.205 10.288 ( -7.794 -1.219 0.000) 7.889 10.450 ( -0.459 2.555 0.000) 2.596 10.539 ( -2.284 -6.204 0.000) 6.611 10.608 ( 0.212 3.780 0.000) 3.786 10.695 ( -9.319 -4.449 0.000) 10.327 10.884 ( 2.488 3.978 0.000) 4.692 10.938 ( 3.151 0.548 0.000) 3.198 10.943 ( -6.549 6.396 0.000) 9.154 11.098 ( 1.140 7.637 0.000) 7.722 11.133 ( -2.971 -14.038 0.000) 14.349 11.230 ( 2.512 -5.452 0.000) 6.003 11.343 ( 3.986 1.532 0.000) 4.270 11.425 ( 6.799 -8.321 0.000) 10.745 11.446 ( -10.161 3.182 0.000) 10.648 11.492 ( -7.726 -1.290 0.000) 7.833 11.606 ( -4.219 1.304 0.000) 4.416 11.648 ( -0.631 -2.597 0.000) 2.673 11.868 ( 14.481 11.260 0.000) 18.343 12.046 ( 13.172 -7.980 0.000) 15.400 12.403 ( 2.010 10.287 0.000) 10.482 12.446 ( 9.344 5.351 0.000) 10.767 12.485 ( 13.048 2.925 0.000) 13.372 12.487 ( 0.465 3.461 0.000) 3.492 12.611 ( 19.362 2.150 0.000) 19.481 12.765 ( 2.096 -2.945 0.000) 3.615 12.780 ( 15.151 -12.789 0.000) 19.827 12.803 ( -2.135 -4.962 0.000) 5.402 13.290 ( 16.003 7.872 0.000) 17.835 13.407 ( 11.891 -4.434 0.000) 12.691 13.629 ( -8.036 0.277 0.000) 8.041 13.659 ( -6.236 -3.137 0.000) 6.981 14.036 ( -1.225 4.607 0.000) 4.767 14.139 ( -1.905 -5.458 0.000) 5.781 14.181 ( -8.984 6.312 0.000) 10.979 14.287 ( -9.102 -4.475 0.000) 10.143 14.419 ( 6.702 5.234 0.000) 8.503 14.512 ( -17.078 4.854 0.000) 17.755 14.551 ( 10.508 -8.893 0.000) 13.766 14.635 ( -16.207 -8.166 0.000) 18.149 15.043 ( 17.014 12.447 0.000) 21.081 15.055 ( -10.926 11.091 0.000) 15.569 15.198 ( 28.385 -3.871 0.000) 28.648 15.230 ( -5.902 -6.271 0.000) 8.611 15.560 ( -1.414 2.500 0.000) 2.872 15.715 ( 0.236 -12.164 0.000) 12.166 15.773 ( 14.155 2.259 0.000) 14.335 15.923 ( 1.241 12.034 0.000) 12.097 15.944 ( 15.562 -9.472 0.000) 18.218 16.137 ( 8.476 -9.896 0.000) 13.030 16.440 ( 0.250 15.219 0.000) 15.221 16.532 ( 4.859 7.902 0.000) 9.276 16.710 ( 3.858 -13.519 0.000) 14.059 16.801 ( -1.810 -14.365 0.000) 14.478 16.867 ( 4.331 9.083 0.000) 10.063 17.081 ( 0.777 -12.710 0.000) 12.734 17.131 ( -3.907 5.822 0.000) 7.011 17.197 ( -8.792 0.695 0.000) 8.819 17.281 ( 0.730 4.473 0.000) 4.533 17.298 ( 8.523 26.153 0.000) 27.507 17.429 ( 13.130 -7.221 0.000) 14.984 17.636 ( 0.024 -1.788 0.000) 1.788 17.714 ( -9.606 3.007 0.000) 10.066 17.767 ( -9.501 -2.223 0.000) 9.758 17.997 ( -11.777 -2.980 0.000) 12.148 18.039 ( -3.610 -13.281 0.000) 13.763 20.319 ( 1.648 0.877 0.000) 1.867 20.344 ( 3.155 -1.535 0.000) 3.509 20.517 ( 6.923 0.301 0.000) 6.930 20.527 ( 19.735 -0.340 0.000) 19.737 20.866 ( 21.496 5.773 0.000) 22.258 21.002 ( 25.164 -7.957 0.000) 26.392 21.388 ( 22.133 5.574 0.000) 22.825 21.497 ( 21.311 -5.173 0.000) 21.930 21.924 ( -42.617 3.008 0.000) 42.723 22.002 ( -41.351 -5.276 0.000) 41.686 22.292 ( -37.563 7.811 0.000) 38.366 22.429 ( -35.077 -6.437 0.000) 35.662 22.884 ( -29.539 4.669 0.000) 29.906 22.951 ( -26.717 -1.830 0.000) 26.779 23.093 ( -24.673 0.007 0.000) 24.673 23.134 ( -23.560 -3.662 0.000) 23.843 24.417 ( -0.668 10.558 0.000) 10.579 24.560 ( -0.030 2.388 0.000) 2.388 24.582 ( -9.678 33.439 0.000) 34.811 24.707 ( 2.134 -7.172 0.000) 7.483 24.723 ( -5.403 10.170 0.000) 11.516 24.775 ( 0.887 -7.510 0.000) 7.562 24.996 ( -7.453 -10.336 0.000) 12.743 25.289 ( -19.082 -21.792 0.000) 28.965 25.478 ( 9.146 5.286 0.000) 10.564 25.518 ( 9.737 4.366 0.000) 10.671 25.586 ( 10.070 -1.873 0.000) 10.243 25.643 ( 14.355 -4.310 0.000) 14.988 25.972 ( -6.190 1.050 0.000) 6.279 26.082 ( -11.006 -10.059 0.000) 14.911 26.842 ( -29.871 16.194 0.000) 33.978 27.000 ( 4.885 0.553 0.000) 4.916 27.017 ( 5.722 -1.267 0.000) 5.860 27.076 ( -30.295 -8.643 0.000) 31.503 27.078 ( 6.852 1.699 0.000) 7.059 27.104 ( 6.889 -1.025 0.000) 6.965 27.626 ( -15.329 3.538 0.000) 15.732 27.710 ( -17.099 -5.140 0.000) 17.855 27.865 ( -19.938 2.597 0.000) 20.107 27.899 ( -20.349 -1.166 0.000) 20.382 28.808 ( 9.284 5.765 0.000) 10.928 28.947 ( 12.176 -8.462 0.000) 14.828 29.398 ( 17.764 7.309 0.000) 19.208 29.514 ( 21.013 -4.601 0.000) 21.511 29.804 ( -19.844 12.606 0.000) 23.509 30.134 ( -24.014 -22.149 0.000) 32.668 31.012 ( -31.045 19.401 0.000) 36.609 31.298 ( -31.931 -10.977 0.000) 33.765 32.818 ( 15.231 1.530 0.000) 15.308 32.855 ( 15.662 -2.121 0.000) 15.805 33.265 ( 15.349 6.432 0.000) 16.642 33.271 ( 1.125 0.426 0.000) 1.203 33.281 ( 1.718 -0.532 0.000) 1.798 33.318 ( 14.240 1.556 0.000) 14.325 33.448 ( 10.116 2.549 0.000) 10.432 33.465 ( 17.550 0.431 0.000) 17.556 33.500 ( 10.600 -2.558 0.000) 10.904 33.602 ( 17.717 -13.753 0.000) 22.429 33.789 ( 5.371 -0.103 0.000) 5.372 33.790 ( 6.093 -0.244 0.000) 6.098 34.133 ( 13.044 2.676 0.000) 13.315 34.182 ( 15.168 -2.199 0.000) 15.327 34.449 ( 6.806 20.647 0.000) 21.740 34.794 ( -2.166 -14.844 0.000) 15.001 ======================= Grid point 13 (10/40) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 14.126 -1.884 0.000) 14.251 2.999 ( 19.786 -3.868 0.000) 20.161 3.122 ( 3.212 2.551 0.000) 4.102 3.271 ( -0.569 -12.025 0.000) 12.038 3.323 ( 18.039 11.989 0.000) 21.659 3.469 ( 27.686 -3.554 0.000) 27.913 3.554 ( -5.937 17.827 0.000) 18.790 3.853 ( -6.381 -12.007 0.000) 13.597 4.011 ( 9.970 15.498 0.000) 18.428 4.012 ( 14.467 6.827 0.000) 15.997 4.108 ( 20.270 2.864 0.000) 20.471 4.157 ( 4.869 -1.575 0.000) 5.117 4.188 ( 12.585 -1.446 0.000) 12.667 4.237 ( 3.536 -1.421 0.000) 3.811 4.271 ( 2.412 -0.679 0.000) 2.506 4.354 ( 7.691 -0.434 0.000) 7.703 4.426 ( -0.417 -10.164 0.000) 10.173 4.485 ( 0.418 -16.399 0.000) 16.404 4.562 ( -11.209 3.498 0.000) 11.742 4.639 ( -16.002 -6.680 0.000) 17.340 4.947 ( 2.078 7.453 0.000) 7.738 5.097 ( -0.118 -7.955 0.000) 7.955 5.111 ( -14.154 9.712 0.000) 17.166 5.247 ( -14.507 -5.306 0.000) 15.447 5.482 ( 4.342 7.354 0.000) 8.540 5.535 ( -3.541 7.895 0.000) 8.653 5.574 ( -4.139 -1.437 0.000) 4.382 5.644 ( 3.317 0.962 0.000) 3.453 5.670 ( -8.766 -5.424 0.000) 10.308 5.721 ( 5.179 -4.512 0.000) 6.869 5.786 ( -11.144 1.984 0.000) 11.319 5.841 ( -8.447 -2.871 0.000) 8.921 5.894 ( 8.808 6.471 0.000) 10.929 6.029 ( 11.378 -6.697 0.000) 13.203 6.167 ( -17.126 1.040 0.000) 17.158 6.211 ( 13.696 2.128 0.000) 13.861 6.240 ( -9.468 -5.476 0.000) 10.937 6.283 ( 12.246 -4.684 0.000) 13.112 6.541 ( -14.840 4.732 0.000) 15.577 6.610 ( -17.826 -3.168 0.000) 18.105 6.854 ( 19.014 11.109 0.000) 22.022 6.917 ( 21.976 5.437 0.000) 22.638 7.101 ( 23.046 -2.081 0.000) 23.140 7.176 ( 11.026 -4.931 0.000) 12.078 7.179 ( -10.836 8.895 0.000) 14.019 7.232 ( -10.493 8.574 0.000) 13.550 7.347 ( 12.503 4.566 0.000) 13.311 7.349 ( -4.878 -6.480 0.000) 8.111 7.398 ( -11.646 -7.013 0.000) 13.595 7.491 ( 11.320 -10.305 0.000) 15.308 7.570 ( -10.341 4.224 0.000) 11.171 7.635 ( -5.612 -0.105 0.000) 5.613 7.648 ( 10.428 7.869 0.000) 13.064 7.802 ( -5.826 -0.574 0.000) 5.854 7.816 ( 13.428 -8.062 0.000) 15.662 7.877 ( -0.145 -4.418 0.000) 4.421 8.003 ( 25.629 3.550 0.000) 25.874 8.124 ( 25.064 -9.594 0.000) 26.837 8.163 ( 9.516 11.011 0.000) 14.553 8.254 ( -4.644 4.634 0.000) 6.560 8.300 ( 17.043 0.742 0.000) 17.059 8.348 ( -6.694 -1.824 0.000) 6.938 8.437 ( 16.912 -1.158 0.000) 16.951 8.498 ( 18.749 -10.775 0.000) 21.625 8.530 ( -8.193 -4.859 0.000) 9.526 8.590 ( -11.804 -6.570 0.000) 13.510 8.626 ( 26.375 7.022 0.000) 27.293 8.770 ( 22.215 -7.229 0.000) 23.362 8.843 ( -11.958 0.444 0.000) 11.967 8.858 ( -11.537 -1.019 0.000) 11.582 8.930 ( 19.107 2.101 0.000) 19.223 8.975 ( 22.009 -0.240 0.000) 22.010 9.049 ( -13.053 3.742 0.000) 13.579 9.081 ( -13.017 -1.834 0.000) 13.146 9.129 ( 5.843 5.289 0.000) 7.881 9.179 ( -0.220 1.287 0.000) 1.306 9.235 ( -15.615 3.711 0.000) 16.050 9.274 ( -18.941 1.315 0.000) 18.986 9.355 ( 2.857 3.815 0.000) 4.767 9.384 ( -14.656 10.416 0.000) 17.980 9.427 ( 3.089 0.145 0.000) 3.092 9.599 ( -14.418 -3.861 0.000) 14.926 9.610 ( -23.280 1.657 0.000) 23.338 9.676 ( -19.617 -4.801 0.000) 20.195 9.893 ( 7.408 5.659 0.000) 9.322 10.034 ( 4.733 -7.026 0.000) 8.472 10.081 ( -9.984 3.973 0.000) 10.746 10.147 ( -6.057 -1.275 0.000) 6.190 10.481 ( 3.316 -0.991 0.000) 3.461 10.519 ( 0.519 -4.204 0.000) 4.236 10.556 ( -3.500 -1.365 0.000) 3.757 10.576 ( -4.465 -3.622 0.000) 5.749 10.887 ( 0.860 9.491 0.000) 9.530 10.911 ( -0.182 6.606 0.000) 6.608 11.020 ( 4.323 -2.931 0.000) 5.223 11.085 ( -1.861 -10.793 0.000) 10.952 11.130 ( 2.661 6.140 0.000) 6.692 11.244 ( -8.325 5.289 0.000) 9.863 11.267 ( 1.953 -6.671 0.000) 6.951 11.347 ( -5.733 -5.188 0.000) 7.732 11.428 ( 4.195 3.973 0.000) 5.778 11.517 ( -4.247 4.300 0.000) 6.044 11.569 ( 5.825 -12.150 0.000) 13.474 11.642 ( -1.191 -9.215 0.000) 9.291 12.180 ( 14.779 11.459 0.000) 18.701 12.299 ( 9.270 0.608 0.000) 9.290 12.402 ( -2.612 9.431 0.000) 9.786 12.434 ( -6.521 6.317 0.000) 9.079 12.614 ( 7.524 1.435 0.000) 7.660 12.688 ( 6.584 -2.436 0.000) 7.020 12.743 ( -3.850 -2.425 0.000) 4.550 12.782 ( -2.312 -4.360 0.000) 4.935 13.045 ( 20.316 2.653 0.000) 20.488 13.152 ( 18.025 -8.341 0.000) 19.862 13.407 ( -13.682 1.501 0.000) 13.764 13.470 ( -11.948 -5.216 0.000) 13.037 13.626 ( 15.065 3.142 0.000) 15.389 13.674 ( 13.954 -1.743 0.000) 14.062 13.912 ( -13.732 4.415 0.000) 14.424 13.996 ( -16.428 -4.095 0.000) 16.930 14.039 ( 3.631 5.301 0.000) 6.425 14.149 ( 4.144 -5.762 0.000) 7.097 14.218 ( -11.856 5.396 0.000) 13.026 14.333 ( -12.495 -6.568 0.000) 14.116 14.584 ( 9.148 9.308 0.000) 13.051 14.797 ( 12.479 -13.017 0.000) 18.032 14.804 ( -11.832 12.453 0.000) 17.177 15.051 ( -11.040 -12.667 0.000) 16.803 15.308 ( 9.563 15.263 0.000) 18.012 15.477 ( -6.566 7.706 0.000) 10.124 15.600 ( 9.912 -15.568 0.000) 18.456 15.700 ( -1.794 -14.565 0.000) 14.675 15.905 ( 2.851 15.701 0.000) 15.958 15.926 ( 0.022 17.932 0.000) 17.932 16.255 ( 7.891 -16.181 0.000) 18.002 16.275 ( 4.010 -16.263 0.000) 16.750 16.492 ( 3.678 15.270 0.000) 15.706 16.553 ( -1.713 8.499 0.000) 8.670 16.783 ( 2.576 -14.418 0.000) 14.646 16.793 ( 1.269 -11.505 0.000) 11.575 16.950 ( 3.460 6.074 0.000) 6.991 17.021 ( -3.698 3.245 0.000) 4.920 17.089 ( -0.899 -3.660 0.000) 3.769 17.091 ( 0.022 -8.364 0.000) 8.365 17.416 ( 5.730 18.389 0.000) 19.261 17.437 ( 3.463 21.960 0.000) 22.232 17.583 ( -1.814 3.832 0.000) 4.240 17.595 ( -2.366 3.612 0.000) 4.318 17.650 ( -1.361 -2.943 0.000) 3.243 17.704 ( 11.412 -11.551 0.000) 16.238 17.750 ( -9.960 0.025 0.000) 9.960 17.919 ( -8.458 -14.815 0.000) 17.059 20.505 ( 18.376 2.900 0.000) 18.603 20.576 ( 20.180 -4.476 0.000) 20.671 20.863 ( 25.363 8.245 0.000) 26.669 21.045 ( 28.300 -11.041 0.000) 30.377 21.086 ( -35.655 3.543 0.000) 35.830 21.178 ( -35.768 -6.185 0.000) 36.299 21.462 ( 33.610 9.139 0.000) 34.830 21.516 ( -35.421 9.842 0.000) 36.763 21.617 ( 32.410 -7.361 0.000) 33.236 21.700 ( -33.752 -9.325 0.000) 35.017 21.922 ( 28.135 4.514 0.000) 28.494 22.012 ( 27.084 -4.394 0.000) 27.438 22.198 ( -35.081 6.656 0.000) 35.707 22.314 ( -32.991 -5.262 0.000) 33.408 22.529 ( -28.766 2.738 0.000) 28.896 22.594 ( -27.571 -3.697 0.000) 27.817 24.409 ( 0.331 14.147 0.000) 14.150 24.447 ( -3.704 21.540 0.000) 21.856 24.570 ( 1.353 4.195 0.000) 4.408 24.624 ( -3.793 7.041 0.000) 7.998 24.765 ( 3.697 -10.386 0.000) 11.024 24.813 ( 3.617 -10.449 0.000) 11.058 24.860 ( -5.492 -10.495 0.000) 11.845 24.966 ( -11.362 -18.842 0.000) 22.003 25.653 ( 8.096 4.342 0.000) 9.187 25.725 ( 8.962 -0.998 0.000) 9.017 25.821 ( -7.849 2.707 0.000) 8.303 25.856 ( 16.603 7.280 0.000) 18.129 25.899 ( -7.896 -3.554 0.000) 8.659 26.001 ( 19.961 -6.294 0.000) 20.929 26.278 ( -23.615 13.127 0.000) 27.019 26.482 ( -25.885 -8.001 0.000) 27.093 27.130 ( 7.840 1.471 0.000) 7.976 27.166 ( 8.810 -2.334 0.000) 9.114 27.250 ( 9.886 1.815 0.000) 10.051 27.276 ( 9.878 -0.942 0.000) 9.923 27.337 ( -11.969 2.425 0.000) 12.212 27.394 ( -13.022 -3.482 0.000) 13.479 27.504 ( -14.558 2.041 0.000) 14.700 27.532 ( -14.756 -0.945 0.000) 14.786 29.055 ( 14.259 7.806 0.000) 16.256 29.251 ( 16.916 -12.592 0.000) 21.088 29.399 ( -18.282 9.887 0.000) 20.784 29.654 ( -21.389 -16.923 0.000) 27.274 29.827 ( 23.334 11.885 0.000) 26.186 30.009 ( 26.464 -7.174 0.000) 27.419 30.376 ( -28.803 16.225 0.000) 33.058 30.620 ( -31.485 -9.529 0.000) 32.895 33.095 ( 10.498 1.583 0.000) 10.617 33.130 ( 10.126 -1.939 0.000) 10.310 33.246 ( -3.969 1.109 0.000) 4.121 33.270 ( -3.299 -1.262 0.000) 3.532 33.513 ( 7.894 3.570 0.000) 8.664 33.554 ( 7.711 -0.278 0.000) 7.716 33.579 ( 1.803 2.854 0.000) 3.376 33.626 ( 1.117 -1.624 0.000) 1.971 33.750 ( 9.069 2.188 0.000) 9.329 33.845 ( -0.400 0.965 0.000) 1.044 33.854 ( 6.466 -8.747 0.000) 10.878 33.889 ( 2.464 -3.682 0.000) 4.430 34.373 ( 9.071 6.152 0.000) 10.960 34.478 ( 12.449 -4.471 0.000) 13.228 34.493 ( -2.121 11.917 0.000) 12.105 34.690 ( -7.634 -8.217 0.000) 11.216 ======================= Grid point 27 (11/40) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 0.000 42.732) 42.732 0.850 ( 0.000 0.000 40.218) 40.218 1.507 ( 0.000 0.000 72.423) 72.423 1.885 ( 0.000 0.000 -2.841) 2.841 2.071 ( 0.000 0.000 10.875) 10.875 2.346 ( 0.000 0.000 8.174) 8.174 2.364 ( 0.000 0.000 27.174) 27.174 2.381 ( 0.000 0.000 24.210) 24.210 2.535 ( 0.000 0.000 28.805) 28.805 2.689 ( 0.000 0.000 8.258) 8.258 2.860 ( 0.000 0.000 -3.054) 3.054 3.018 ( 0.000 0.000 8.596) 8.596 3.307 ( 0.000 0.000 1.133) 1.133 3.345 ( 0.000 0.000 -1.043) 1.043 3.461 ( 0.000 0.000 -3.443) 3.443 3.467 ( 0.000 0.000 1.872) 1.872 3.532 ( 0.000 0.000 2.740) 2.740 3.786 ( 0.000 0.000 13.178) 13.178 3.835 ( 0.000 0.000 -5.692) 5.692 4.049 ( 0.000 0.000 8.790) 8.790 4.066 ( 0.000 0.000 10.649) 10.649 4.249 ( 0.000 0.000 12.592) 12.592 4.257 ( 0.000 0.000 12.652) 12.652 4.300 ( 0.000 0.000 -8.459) 8.459 4.716 ( 0.000 0.000 2.241) 2.241 4.729 ( 0.000 0.000 4.479) 4.479 4.745 ( 0.000 0.000 -6.276) 6.276 4.910 ( 0.000 0.000 2.804) 2.804 5.041 ( 0.000 0.000 5.203) 5.203 5.099 ( 0.000 0.000 9.772) 9.772 5.244 ( 0.000 0.000 -5.875) 5.875 5.322 ( 0.000 0.000 7.313) 7.313 5.413 ( 0.000 0.000 -2.196) 2.196 5.596 ( 0.000 0.000 1.552) 1.552 5.746 ( 0.000 0.000 -3.588) 3.588 5.757 ( 0.000 0.000 -3.318) 3.318 6.156 ( 0.000 0.000 0.313) 0.313 6.300 ( 0.000 0.000 -7.261) 7.261 6.343 ( 0.000 0.000 -12.343) 12.343 6.508 ( 0.000 0.000 1.759) 1.759 6.573 ( 0.000 0.000 -17.759) 17.759 6.853 ( 0.000 0.000 0.464) 0.464 6.880 ( 0.000 0.000 12.205) 12.205 6.888 ( 0.000 0.000 1.980) 1.980 7.060 ( 0.000 0.000 -10.090) 10.090 7.100 ( 0.000 0.000 -0.332) 0.332 7.132 ( 0.000 0.000 -2.974) 2.974 7.220 ( 0.000 0.000 1.107) 1.107 7.225 ( 0.000 0.000 3.080) 3.080 7.296 ( 0.000 0.000 10.574) 10.574 7.391 ( 0.000 0.000 2.060) 2.060 7.531 ( 0.000 0.000 2.142) 2.142 7.548 ( 0.000 0.000 -14.732) 14.732 7.599 ( 0.000 0.000 -0.278) 0.278 7.726 ( 0.000 0.000 -0.579) 0.579 7.767 ( 0.000 0.000 -11.752) 11.752 7.850 ( 0.000 0.000 -12.754) 12.754 7.923 ( 0.000 0.000 -9.593) 9.593 8.077 ( 0.000 0.000 -8.154) 8.154 8.181 ( 0.000 0.000 7.064) 7.064 8.254 ( 0.000 0.000 -4.392) 4.392 8.286 ( 0.000 0.000 -7.702) 7.702 8.337 ( 0.000 0.000 -4.902) 4.902 8.442 ( 0.000 0.000 7.797) 7.797 8.445 ( 0.000 0.000 -8.960) 8.960 8.484 ( 0.000 0.000 2.558) 2.558 8.749 ( 0.000 0.000 -1.295) 1.295 8.785 ( 0.000 0.000 -4.549) 4.549 8.820 ( 0.000 0.000 -12.835) 12.835 8.924 ( 0.000 0.000 4.294) 4.294 9.025 ( 0.000 0.000 -14.647) 14.647 9.032 ( 0.000 0.000 -4.449) 4.449 9.115 ( 0.000 0.000 -24.771) 24.771 9.126 ( 0.000 0.000 -9.262) 9.262 9.377 ( 0.000 0.000 -5.347) 5.347 9.595 ( 0.000 0.000 -8.271) 8.271 9.613 ( 0.000 0.000 -1.646) 1.646 9.816 ( 0.000 0.000 -3.757) 3.757 9.842 ( 0.000 0.000 -23.429) 23.429 9.872 ( 0.000 0.000 -7.691) 7.691 9.888 ( 0.000 0.000 4.632) 4.632 9.995 ( 0.000 0.000 8.115) 8.115 10.051 ( 0.000 0.000 7.814) 7.814 10.266 ( 0.000 0.000 6.910) 6.910 10.376 ( 0.000 0.000 12.145) 12.145 10.397 ( 0.000 0.000 3.817) 3.817 10.397 ( 0.000 0.000 12.355) 12.355 10.407 ( 0.000 0.000 8.573) 8.573 10.525 ( 0.000 0.000 1.075) 1.075 10.596 ( 0.000 0.000 5.297) 5.297 10.643 ( 0.000 0.000 0.103) 0.103 10.783 ( 0.000 0.000 6.219) 6.219 10.862 ( 0.000 0.000 -4.253) 4.253 10.972 ( 0.000 0.000 -1.657) 1.657 11.019 ( 0.000 0.000 -0.364) 0.364 11.096 ( 0.000 0.000 1.430) 1.430 11.181 ( 0.000 0.000 2.375) 2.375 11.231 ( 0.000 0.000 7.681) 7.681 11.323 ( 0.000 0.000 1.277) 1.277 11.403 ( 0.000 0.000 7.901) 7.901 11.659 ( 0.000 0.000 -9.668) 9.668 11.678 ( 0.000 0.000 -2.099) 2.099 11.694 ( 0.000 0.000 -2.292) 2.292 11.709 ( 0.000 0.000 -3.196) 3.196 11.753 ( 0.000 0.000 8.951) 8.951 11.840 ( 0.000 0.000 6.134) 6.134 11.842 ( 0.000 0.000 4.704) 4.704 11.940 ( 0.000 0.000 -8.619) 8.619 12.147 ( 0.000 0.000 -14.546) 14.546 12.371 ( 0.000 0.000 -4.700) 4.700 12.461 ( 0.000 0.000 -17.993) 17.993 12.533 ( 0.000 0.000 14.032) 14.032 12.721 ( 0.000 0.000 3.369) 3.369 12.776 ( 0.000 0.000 -6.003) 6.003 12.779 ( 0.000 0.000 -1.059) 1.059 13.248 ( 0.000 0.000 -2.813) 2.813 13.276 ( 0.000 0.000 -7.401) 7.401 13.291 ( 0.000 0.000 -0.315) 0.315 13.537 ( 0.000 0.000 1.395) 1.395 13.564 ( 0.000 0.000 -6.473) 6.473 14.012 ( 0.000 0.000 5.056) 5.056 14.015 ( 0.000 0.000 6.973) 6.973 14.109 ( 0.000 0.000 -5.367) 5.367 14.142 ( 0.000 0.000 -12.500) 12.500 14.158 ( 0.000 0.000 2.122) 2.122 14.489 ( 0.000 0.000 4.793) 4.793 14.498 ( 0.000 0.000 -3.007) 3.007 14.563 ( 0.000 0.000 6.618) 6.618 15.287 ( 0.000 0.000 4.072) 4.072 15.323 ( 0.000 0.000 1.446) 1.446 15.408 ( 0.000 0.000 5.029) 5.029 15.436 ( 0.000 0.000 5.366) 5.366 15.625 ( 0.000 0.000 2.406) 2.406 15.671 ( 0.000 0.000 4.588) 4.588 15.801 ( 0.000 0.000 11.207) 11.207 15.875 ( 0.000 0.000 8.941) 8.941 16.314 ( 0.000 0.000 -1.885) 1.885 16.430 ( 0.000 0.000 32.483) 32.483 16.479 ( 0.000 0.000 -6.231) 6.231 16.596 ( 0.000 0.000 -0.842) 0.842 16.605 ( 0.000 0.000 -5.623) 5.623 16.746 ( 0.000 0.000 9.972) 9.972 17.012 ( 0.000 0.000 10.973) 10.973 17.291 ( 0.000 0.000 -2.939) 2.939 17.351 ( 0.000 0.000 -14.236) 14.236 17.576 ( 0.000 0.000 -7.908) 7.908 17.639 ( 0.000 0.000 -25.155) 25.155 18.218 ( 0.000 0.000 9.935) 9.935 18.520 ( 0.000 0.000 7.777) 7.777 18.559 ( 0.000 0.000 9.715) 9.715 18.663 ( 0.000 0.000 -0.899) 0.899 18.734 ( 0.000 0.000 -3.519) 3.519 19.345 ( 0.000 0.000 14.274) 14.274 20.078 ( 0.000 0.000 -10.532) 10.532 20.225 ( 0.000 0.000 -11.836) 11.836 20.500 ( 0.000 0.000 -1.652) 1.652 20.790 ( 0.000 0.000 -4.486) 4.486 20.841 ( 0.000 0.000 -7.229) 7.229 20.850 ( 0.000 0.000 -1.544) 1.544 21.053 ( 0.000 0.000 -4.328) 4.328 23.783 ( 0.000 0.000 0.826) 0.826 23.847 ( 0.000 0.000 1.728) 1.728 23.897 ( 0.000 0.000 -0.588) 0.588 23.897 ( 0.000 0.000 2.012) 2.012 23.967 ( 0.000 0.000 -0.215) 0.215 24.045 ( 0.000 0.000 0.946) 0.946 24.090 ( 0.000 0.000 -0.934) 0.934 24.138 ( 0.000 0.000 0.143) 0.143 24.201 ( 0.000 0.000 2.676) 2.676 24.371 ( 0.000 0.000 1.133) 1.133 24.408 ( 0.000 0.000 0.506) 0.506 24.432 ( 0.000 0.000 0.276) 0.276 24.511 ( 0.000 0.000 -1.684) 1.684 24.742 ( 0.000 0.000 -7.649) 7.649 24.973 ( 0.000 0.000 2.212) 2.212 25.059 ( 0.000 0.000 1.252) 1.252 25.092 ( 0.000 0.000 0.864) 0.864 25.124 ( 0.000 0.000 0.524) 0.524 25.490 ( 0.000 0.000 8.777) 8.777 25.833 ( 0.000 0.000 7.543) 7.543 26.251 ( 0.000 0.000 13.302) 13.302 26.904 ( 0.000 0.000 11.204) 11.204 26.907 ( 0.000 0.000 10.435) 10.435 26.923 ( 0.000 0.000 12.497) 12.497 26.943 ( 0.000 0.000 10.443) 10.443 27.423 ( 0.000 0.000 -29.353) 29.353 27.625 ( 0.000 0.000 -26.813) 26.813 28.108 ( 0.000 0.000 -21.923) 21.923 28.130 ( 0.000 0.000 -8.062) 8.062 28.503 ( 0.000 0.000 -14.684) 14.684 28.517 ( 0.000 0.000 -15.227) 15.227 28.808 ( 0.000 0.000 -14.564) 14.564 29.034 ( 0.000 0.000 22.147) 22.147 29.793 ( 0.000 0.000 15.130) 15.130 29.807 ( 0.000 0.000 14.438) 14.438 30.317 ( 0.000 0.000 -9.630) 9.630 31.691 ( 0.000 0.000 11.381) 11.381 31.766 ( 0.000 0.000 0.172) 0.172 31.789 ( 0.000 0.000 0.028) 0.028 31.795 ( 0.000 0.000 0.138) 0.138 31.798 ( 0.000 0.000 0.231) 0.231 32.225 ( 0.000 0.000 -4.355) 4.355 32.278 ( 0.000 0.000 0.116) 0.116 32.288 ( 0.000 0.000 -1.747) 1.747 32.295 ( 0.000 0.000 -0.138) 0.138 32.344 ( 0.000 0.000 -8.945) 8.945 32.365 ( 0.000 0.000 -8.188) 8.188 32.978 ( 0.000 0.000 -12.483) 12.483 33.051 ( 0.000 0.000 14.136) 14.136 33.117 ( 0.000 0.000 2.777) 2.777 33.180 ( 0.000 0.000 2.460) 2.460 33.229 ( 0.000 0.000 0.560) 0.560 33.512 ( 0.000 0.000 13.033) 13.033 33.719 ( 0.000 0.000 2.408) 2.408 33.871 ( 0.000 0.000 10.417) 10.417 35.024 ( 0.000 0.000 -9.584) 9.584 ======================= Grid point 28 (12/40) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 31.805 0.000 28.909) 42.980 1.592 ( 21.092 0.000 49.773) 54.057 1.990 ( 51.465 0.000 34.384) 61.894 2.259 ( 3.727 0.000 24.998) 25.275 2.397 ( 21.881 0.000 12.480) 25.190 2.531 ( 23.706 0.000 16.664) 28.977 2.622 ( 17.521 0.000 20.404) 26.894 2.652 ( 22.312 0.000 20.838) 30.530 2.783 ( 34.365 0.000 11.145) 36.127 3.159 ( 33.039 0.000 3.136) 33.188 3.205 ( 21.751 0.000 0.156) 21.751 3.378 ( -3.716 0.000 2.981) 4.764 3.388 ( 29.596 0.000 -0.442) 29.599 3.598 ( 18.585 0.000 -5.047) 19.258 3.645 ( 32.058 0.000 -0.497) 32.062 3.675 ( 23.710 0.000 9.004) 25.362 3.863 ( 5.606 0.000 6.010) 8.219 3.872 ( 43.556 0.000 -2.495) 43.627 4.077 ( 13.409 0.000 -3.543) 13.869 4.148 ( 8.360 0.000 5.156) 9.822 4.263 ( 14.800 0.000 4.854) 15.576 4.348 ( 20.582 0.000 9.493) 22.666 4.462 ( 15.216 0.000 -5.411) 16.149 4.679 ( 16.641 0.000 -2.843) 16.882 4.787 ( 7.834 0.000 -2.405) 8.195 4.822 ( 20.948 0.000 3.116) 21.179 4.891 ( 15.924 0.000 2.863) 16.179 4.938 ( 1.382 0.000 3.488) 3.752 5.075 ( 7.265 0.000 11.165) 13.321 5.136 ( 3.940 0.000 6.452) 7.560 5.327 ( 8.992 0.000 -3.767) 9.749 5.381 ( 5.108 0.000 1.754) 5.401 5.387 ( -0.147 0.000 -4.677) 4.679 5.617 ( 5.024 0.000 2.817) 5.759 5.742 ( 2.119 0.000 3.431) 4.032 5.857 ( 8.974 0.000 -3.411) 9.600 6.152 ( 1.687 0.000 -0.261) 1.707 6.291 ( -12.883 0.000 -8.129) 15.233 6.369 ( 1.281 0.000 -15.036) 15.090 6.510 ( -2.945 0.000 -9.966) 10.392 6.548 ( 9.336 0.000 -5.051) 10.614 6.832 ( -2.544 0.000 7.568) 7.984 6.854 ( -5.091 0.000 2.766) 5.794 6.948 ( -3.977 0.000 3.665) 5.408 6.975 ( -8.935 0.000 -5.050) 10.264 7.092 ( 5.226 0.000 0.950) 5.311 7.148 ( -3.202 0.000 0.907) 3.329 7.200 ( -0.281 0.000 -3.228) 3.240 7.228 ( 2.079 0.000 -1.366) 2.488 7.239 ( -4.432 0.000 11.039) 11.896 7.344 ( 0.436 0.000 -0.576) 0.723 7.441 ( -6.229 0.000 -0.881) 6.291 7.525 ( -4.548 0.000 1.759) 4.876 7.538 ( -5.703 0.000 -1.177) 5.823 7.615 ( -2.942 0.000 -1.704) 3.400 7.810 ( -0.829 0.000 -3.079) 3.189 7.840 ( -0.688 0.000 -13.190) 13.208 7.964 ( -1.229 0.000 -7.315) 7.417 7.966 ( -6.553 0.000 2.425) 6.988 8.091 ( -3.196 0.000 -9.908) 10.411 8.166 ( -9.554 0.000 0.672) 9.577 8.182 ( -5.011 0.000 -4.897) 7.006 8.299 ( -0.992 0.000 -5.323) 5.415 8.380 ( -13.241 0.000 -3.862) 13.793 8.517 ( 5.604 0.000 1.130) 5.717 8.564 ( -5.949 0.000 5.386) 8.025 8.609 ( -2.018 0.000 -16.719) 16.840 8.735 ( -3.140 0.000 4.099) 5.163 8.812 ( 3.699 0.000 -1.984) 4.197 8.871 ( 5.558 0.000 -12.600) 13.771 8.972 ( -3.020 0.000 -13.324) 13.662 9.019 ( -0.821 0.000 -6.856) 6.905 9.221 ( 6.345 0.000 -9.218) 11.190 9.385 ( 0.550 0.000 -7.566) 7.586 9.430 ( 4.209 0.000 -5.397) 6.844 9.489 ( -8.217 0.000 -8.680) 11.952 9.559 ( -0.113 0.000 -1.276) 1.281 9.764 ( -4.509 0.000 -3.567) 5.750 9.785 ( -3.713 0.000 -11.990) 12.552 9.872 ( -4.343 0.000 -0.914) 4.438 9.911 ( 2.407 0.000 -7.807) 8.169 9.989 ( 0.861 0.000 4.866) 4.941 10.086 ( 3.782 0.000 7.385) 8.297 10.158 ( -8.685 0.000 1.503) 8.815 10.255 ( -4.933 0.000 7.633) 9.088 10.267 ( -15.966 0.000 2.919) 16.230 10.312 ( -6.136 0.000 8.319) 10.337 10.494 ( 0.946 0.000 5.863) 5.939 10.526 ( -1.984 0.000 -1.125) 2.281 10.532 ( -5.329 0.000 5.165) 7.421 10.613 ( 7.245 0.000 12.393) 14.356 10.821 ( 3.001 0.000 5.849) 6.574 10.914 ( -3.177 0.000 -0.720) 3.257 10.990 ( -2.901 0.000 -1.511) 3.271 11.060 ( 8.997 0.000 -3.295) 9.582 11.152 ( 3.368 0.000 -0.276) 3.379 11.152 ( 0.846 0.000 2.404) 2.549 11.272 ( 2.473 0.000 4.648) 5.265 11.293 ( -2.130 0.000 3.466) 4.068 11.317 ( -3.856 0.000 4.930) 6.259 11.518 ( -11.771 0.000 -5.744) 13.097 11.662 ( -3.405 0.000 -6.005) 6.904 11.711 ( 1.161 0.000 -3.822) 3.994 11.713 ( -5.484 0.000 5.952) 8.094 11.781 ( -1.437 0.000 3.153) 3.465 11.808 ( 9.321 0.000 -1.726) 9.479 11.861 ( 5.089 0.000 2.694) 5.758 12.027 ( 6.595 0.000 -6.052) 8.951 12.151 ( -13.495 0.000 2.520) 13.729 12.448 ( 11.621 0.000 -7.232) 13.688 12.455 ( 0.820 0.000 -3.649) 3.739 12.522 ( 0.289 0.000 2.526) 2.542 12.550 ( -3.283 0.000 -4.537) 5.600 12.695 ( 12.892 0.000 -2.017) 13.049 12.803 ( 2.721 0.000 4.499) 5.257 13.208 ( -8.212 0.000 -1.497) 8.348 13.462 ( 4.087 0.000 -4.311) 5.940 13.626 ( 7.443 0.000 -8.445) 11.257 13.761 ( 30.478 0.000 -7.472) 31.381 13.786 ( 18.928 0.000 -0.966) 18.953 13.919 ( 12.313 0.000 -4.620) 13.151 13.985 ( -0.437 0.000 1.705) 1.760 14.128 ( 1.429 0.000 -2.696) 3.052 14.209 ( 8.269 0.000 -3.041) 8.810 14.456 ( 4.650 0.000 -2.328) 5.200 14.491 ( 0.979 0.000 -0.519) 1.108 14.539 ( 4.770 0.000 6.573) 8.121 15.180 ( -9.613 0.000 2.675) 9.978 15.282 ( -4.275 0.000 2.283) 4.846 15.288 ( 17.713 0.000 -14.500) 22.891 15.363 ( 7.162 0.000 0.561) 7.184 15.448 ( -1.487 0.000 -0.003) 1.487 15.700 ( 8.534 0.000 8.136) 11.791 15.770 ( 12.988 0.000 -8.299) 15.413 15.838 ( 2.397 0.000 8.799) 9.119 15.858 ( -0.328 0.000 10.431) 10.436 16.340 ( -0.962 0.000 18.329) 18.354 16.355 ( 2.755 0.000 -2.589) 3.781 16.625 ( 1.793 0.000 -4.128) 4.500 16.629 ( 2.645 0.000 -1.039) 2.842 16.658 ( 9.873 0.000 9.414) 13.642 16.838 ( 9.312 0.000 3.797) 10.056 16.985 ( -2.434 0.000 7.869) 8.237 17.291 ( -0.049 0.000 -0.969) 0.970 17.389 ( 3.008 0.000 -11.959) 12.332 17.572 ( -2.545 0.000 -0.266) 2.559 17.601 ( -3.229 0.000 -19.899) 20.159 18.035 ( -16.140 0.000 10.470) 19.239 18.193 ( -20.312 0.000 6.824) 21.428 18.390 ( -11.716 0.000 7.584) 13.956 18.473 ( -18.008 0.000 0.908) 18.031 18.655 ( -7.192 0.000 -1.050) 7.269 19.440 ( 10.578 0.000 6.659) 12.500 20.164 ( 7.939 0.000 -11.336) 13.840 20.292 ( 3.882 0.000 -14.867) 15.366 20.473 ( -1.539 0.000 -2.817) 3.211 20.716 ( -9.301 0.000 -3.707) 10.012 20.797 ( -1.765 0.000 -4.143) 4.504 20.809 ( -2.848 0.000 -5.204) 5.933 20.999 ( -1.320 0.000 -5.299) 5.461 23.582 ( -27.412 0.000 2.274) 27.506 23.611 ( -25.988 0.000 2.683) 26.126 23.652 ( -10.668 0.000 0.919) 10.708 23.665 ( -21.886 0.000 2.279) 22.005 23.741 ( -11.493 0.000 0.661) 11.512 23.816 ( -23.262 0.000 0.745) 23.274 23.929 ( -13.243 0.000 1.641) 13.344 23.987 ( -14.494 0.000 0.476) 14.502 24.166 ( 0.003 0.000 2.579) 2.579 24.303 ( 1.794 0.000 2.301) 2.918 24.391 ( 5.099 0.000 -0.800) 5.162 24.619 ( 7.793 0.000 0.315) 7.800 24.697 ( 5.241 0.000 -2.249) 5.703 24.730 ( 0.373 0.000 -5.046) 5.059 25.082 ( 7.499 0.000 1.581) 7.664 25.147 ( 6.758 0.000 0.358) 6.768 25.213 ( 9.292 0.000 0.447) 9.303 25.214 ( 7.619 0.000 0.291) 7.624 25.503 ( -0.862 0.000 7.085) 7.137 25.795 ( -3.680 0.000 7.156) 8.047 26.204 ( -3.231 0.000 11.922) 12.352 26.914 ( -0.559 0.000 6.162) 6.187 26.921 ( 1.388 0.000 8.312) 8.427 26.951 ( 0.856 0.000 8.523) 8.566 26.975 ( 3.951 0.000 11.019) 11.706 27.264 ( -13.688 0.000 -20.136) 24.348 27.476 ( -14.251 0.000 -24.625) 28.452 28.002 ( -12.080 0.000 -19.024) 22.535 28.054 ( -6.037 0.000 -9.639) 11.374 28.432 ( -10.052 0.000 -17.892) 20.522 28.451 ( -7.403 0.000 -18.020) 19.481 28.642 ( -13.701 0.000 -12.482) 18.535 28.983 ( -2.297 0.000 19.408) 19.543 29.405 ( -25.942 0.000 25.739) 36.544 29.438 ( -21.447 0.000 24.194) 32.331 29.794 ( -39.413 0.000 33.470) 51.707 30.504 ( -20.825 0.000 31.864) 38.066 31.643 ( -19.199 0.000 -0.439) 19.204 31.710 ( -16.594 0.000 -1.284) 16.644 31.917 ( 7.355 0.000 -1.133) 7.442 32.162 ( 13.441 0.000 -0.061) 13.441 32.269 ( 18.866 0.000 -2.414) 19.020 32.379 ( 5.528 0.000 -1.240) 5.665 32.486 ( 24.487 0.000 -3.854) 24.789 32.605 ( 18.726 0.000 -9.472) 20.985 32.866 ( 18.996 0.000 -7.845) 20.553 32.889 ( 20.911 0.000 -11.981) 24.100 32.994 ( 10.803 0.000 -9.954) 14.690 33.158 ( 10.088 0.000 11.114) 15.010 33.202 ( 2.147 0.000 2.375) 3.201 33.239 ( 2.037 0.000 3.888) 4.390 33.344 ( 16.202 0.000 -3.668) 16.612 33.595 ( 7.509 0.000 11.187) 13.473 33.741 ( 2.691 0.000 1.232) 2.960 33.856 ( -0.137 0.000 7.741) 7.742 34.962 ( -3.067 0.000 -12.815) 13.177 ======================= Grid point 29 (13/40) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 39.011 0.000 16.109) 42.206 2.043 ( 24.781 0.000 26.548) 36.317 2.330 ( 10.513 0.000 16.021) 19.162 2.664 ( 11.576 0.000 18.220) 21.586 2.846 ( 12.998 0.000 22.713) 26.169 2.941 ( 29.065 0.000 25.770) 38.844 3.000 ( 15.506 0.000 18.281) 23.972 3.162 ( 21.852 0.000 16.464) 27.360 3.332 ( 9.334 0.000 0.931) 9.381 3.439 ( 16.594 0.000 10.060) 19.405 3.696 ( 20.191 0.000 -5.299) 20.875 3.705 ( 22.723 0.000 2.797) 22.895 3.856 ( 17.645 0.000 2.118) 17.772 4.000 ( 8.606 0.000 2.033) 8.843 4.075 ( -0.320 0.000 -2.032) 2.058 4.181 ( 20.175 0.000 2.343) 20.310 4.352 ( 21.721 0.000 5.547) 22.418 4.353 ( 5.764 0.000 -1.626) 5.989 4.534 ( 7.055 0.000 -1.765) 7.272 4.604 ( 19.249 0.000 -5.869) 20.124 4.752 ( 44.237 0.000 -1.146) 44.251 4.792 ( 1.994 0.000 0.496) 2.055 4.991 ( 19.613 0.000 7.960) 21.167 5.027 ( 45.759 0.000 -0.016) 45.759 5.106 ( 36.976 0.000 -2.984) 37.097 5.121 ( 27.601 0.000 -2.876) 27.750 5.164 ( 3.288 0.000 -4.540) 5.606 5.284 ( 11.130 0.000 -8.507) 14.008 5.393 ( 14.039 0.000 -1.384) 14.107 5.499 ( 29.118 0.000 2.217) 29.202 5.544 ( 10.703 0.000 3.429) 11.239 5.588 ( 12.717 0.000 1.211) 12.775 5.725 ( 26.543 0.000 -4.580) 26.936 5.924 ( 25.486 0.000 -3.151) 25.680 5.977 ( -11.938 0.000 -8.182) 14.473 6.067 ( 28.078 0.000 -4.919) 28.506 6.235 ( 30.456 0.000 3.236) 30.628 6.300 ( 12.649 0.000 -1.744) 12.768 6.309 ( 5.268 0.000 -2.743) 5.939 6.445 ( -13.368 0.000 11.522) 17.648 6.596 ( -5.495 0.000 3.715) 6.633 6.654 ( -13.064 0.000 9.436) 16.116 6.709 ( -14.419 0.000 5.269) 15.351 6.726 ( 9.483 0.000 2.123) 9.718 6.857 ( -12.539 0.000 12.950) 18.026 6.960 ( -10.543 0.000 2.077) 10.745 7.068 ( 1.127 0.000 0.839) 1.405 7.106 ( -6.470 0.000 -0.429) 6.485 7.290 ( 0.895 0.000 -8.282) 8.330 7.317 ( 2.428 0.000 -2.886) 3.771 7.357 ( 0.250 0.000 -1.526) 1.546 7.397 ( -0.812 0.000 3.343) 3.440 7.502 ( 1.352 0.000 -3.685) 3.925 7.529 ( 2.538 0.000 -4.059) 4.787 7.611 ( 6.857 0.000 2.352) 7.249 7.722 ( 3.244 0.000 -1.943) 3.782 7.810 ( 0.399 0.000 -0.340) 0.524 7.820 ( -12.410 0.000 -4.848) 13.324 7.991 ( 3.765 0.000 5.842) 6.950 8.024 ( -6.445 0.000 -2.200) 6.810 8.042 ( -1.441 0.000 -8.850) 8.967 8.086 ( -12.295 0.000 -7.085) 14.191 8.116 ( 7.275 0.000 2.106) 7.574 8.259 ( -3.572 0.000 1.558) 3.897 8.492 ( -3.599 0.000 9.683) 10.330 8.506 ( -2.574 0.000 -6.698) 7.176 8.586 ( 1.526 0.000 -7.923) 8.069 8.678 ( -1.478 0.000 6.088) 6.265 8.879 ( -6.819 0.000 -1.450) 6.972 8.922 ( -4.790 0.000 -13.442) 14.270 8.993 ( 3.309 0.000 -7.841) 8.511 9.005 ( 7.134 0.000 -6.299) 9.517 9.210 ( -10.081 0.000 -6.354) 11.917 9.308 ( -5.049 0.000 0.340) 5.060 9.322 ( -5.035 0.000 -1.881) 5.375 9.444 ( 2.100 0.000 -8.988) 9.230 9.533 ( -6.133 0.000 -3.994) 7.318 9.640 ( -7.198 0.000 -3.074) 7.827 9.702 ( -10.693 0.000 0.036) 10.693 9.755 ( 0.081 0.000 -6.341) 6.341 9.839 ( -11.326 0.000 -3.636) 11.895 9.918 ( -14.726 0.000 2.300) 14.904 9.979 ( -3.620 0.000 -1.473) 3.908 9.996 ( -5.446 0.000 -4.892) 7.321 10.102 ( -3.486 0.000 -1.590) 3.832 10.195 ( -4.951 0.000 3.692) 6.177 10.260 ( 0.197 0.000 9.784) 9.786 10.443 ( 2.407 0.000 1.924) 3.081 10.450 ( -5.959 0.000 -3.225) 6.776 10.482 ( -1.048 0.000 5.051) 5.159 10.708 ( -0.560 0.000 5.588) 5.616 10.860 ( -0.123 0.000 4.963) 4.965 10.876 ( 0.223 0.000 1.233) 1.253 10.924 ( -2.404 0.000 -2.980) 3.829 11.102 ( -4.259 0.000 5.124) 6.662 11.113 ( -10.100 0.000 1.615) 10.228 11.233 ( -0.432 0.000 0.469) 0.638 11.299 ( 0.085 0.000 3.739) 3.740 11.321 ( 2.986 0.000 -5.853) 6.571 11.326 ( 4.240 0.000 -5.640) 7.056 11.383 ( 9.033 0.000 -1.188) 9.111 11.581 ( -6.133 0.000 4.011) 7.329 11.582 ( -3.752 0.000 -7.421) 8.315 11.620 ( -7.722 0.000 -3.681) 8.554 11.743 ( -2.696 0.000 3.582) 4.483 11.975 ( 2.945 0.000 -2.966) 4.180 12.048 ( 12.879 0.000 -2.152) 13.058 12.135 ( 11.095 0.000 -0.080) 11.095 12.223 ( 12.056 0.000 -2.650) 12.344 12.399 ( -5.061 0.000 1.497) 5.278 12.475 ( 1.800 0.000 6.913) 7.143 12.636 ( 10.179 0.000 -6.711) 12.192 12.674 ( 10.037 0.000 -6.584) 12.004 12.895 ( 6.329 0.000 4.338) 7.673 12.991 ( -8.519 0.000 1.317) 8.620 13.116 ( 17.731 0.000 -8.183) 19.528 13.578 ( 4.817 0.000 -9.900) 11.010 13.693 ( -1.984 0.000 -5.246) 5.609 13.933 ( 1.402 0.000 -5.141) 5.328 14.084 ( 10.281 0.000 -15.684) 18.753 14.131 ( -2.140 0.000 0.047) 2.140 14.280 ( 7.367 0.000 -2.340) 7.730 14.303 ( 11.268 0.000 0.996) 11.312 14.398 ( 16.635 0.000 -8.738) 18.790 14.592 ( 8.825 0.000 6.559) 10.995 14.594 ( 7.998 0.000 0.877) 8.046 14.810 ( 13.551 0.000 -6.171) 14.890 14.898 ( -15.701 0.000 2.333) 15.873 15.214 ( -6.010 0.000 5.417) 8.091 15.228 ( 7.721 0.000 2.822) 8.220 15.375 ( -4.124 0.000 -3.213) 5.228 15.566 ( 4.203 0.000 4.125) 5.888 15.844 ( -0.290 0.000 4.003) 4.013 15.895 ( 3.760 0.000 12.489) 13.043 15.921 ( 9.225 0.000 8.810) 12.756 16.134 ( 17.254 0.000 -0.863) 17.276 16.381 ( -1.162 0.000 0.313) 1.204 16.432 ( 9.662 0.000 15.644) 18.387 16.660 ( 0.251 0.000 2.813) 2.824 16.684 ( 3.105 0.000 -9.263) 9.770 16.872 ( 10.079 0.000 9.520) 13.864 16.919 ( -3.512 0.000 0.462) 3.542 17.104 ( 14.445 0.000 -4.622) 15.166 17.286 ( -0.672 0.000 2.939) 3.015 17.338 ( -13.021 0.000 9.273) 15.986 17.498 ( 2.550 0.000 -1.060) 2.762 17.506 ( -8.008 0.000 -9.162) 12.169 17.660 ( -14.233 0.000 14.836) 20.560 17.972 ( -5.745 0.000 -10.528) 11.993 18.022 ( -21.643 0.000 -2.940) 21.842 18.124 ( -9.533 0.000 -1.058) 9.592 18.413 ( -15.142 0.000 3.534) 15.549 19.822 ( 25.443 0.000 -2.583) 25.574 20.302 ( -2.915 0.000 -12.136) 12.482 20.368 ( 8.551 0.000 -12.298) 14.978 20.383 ( -7.855 0.000 -6.170) 9.988 20.615 ( 3.366 0.000 0.235) 3.374 20.719 ( 1.245 0.000 -2.723) 2.994 20.869 ( 10.538 0.000 -8.334) 13.435 21.126 ( 12.150 0.000 -6.622) 13.837 22.866 ( -38.982 0.000 7.160) 39.635 22.957 ( -35.646 0.000 5.596) 36.083 23.053 ( -34.392 0.000 6.036) 34.917 23.236 ( -30.332 0.000 4.777) 30.706 23.349 ( -19.567 0.000 -0.622) 19.576 23.397 ( -19.951 0.000 -1.462) 20.005 23.583 ( -20.362 0.000 -0.278) 20.364 23.631 ( -19.838 0.000 -0.031) 19.838 24.175 ( 0.697 0.000 2.232) 2.338 24.340 ( 0.700 0.000 1.955) 2.076 24.471 ( 1.982 0.000 -1.763) 2.653 24.664 ( -3.341 0.000 -5.371) 6.325 24.743 ( 4.394 0.000 -0.181) 4.397 24.802 ( 2.123 0.000 -1.274) 2.476 25.246 ( 8.017 0.000 1.963) 8.254 25.302 ( 7.560 0.000 0.190) 7.562 25.353 ( -1.466 0.000 2.098) 2.559 25.398 ( 9.294 0.000 -1.038) 9.352 25.479 ( 4.167 0.000 6.263) 7.522 25.680 ( -6.881 0.000 6.258) 9.301 26.136 ( -3.459 0.000 7.925) 8.647 26.679 ( -21.956 0.000 -15.892) 27.104 26.885 ( -11.424 0.000 -10.612) 15.592 26.989 ( 2.329 0.000 7.801) 8.141 27.061 ( 3.432 0.000 7.915) 8.627 27.083 ( -0.691 0.000 9.056) 9.082 27.135 ( -9.129 0.000 0.096) 9.130 27.618 ( -23.713 0.000 -15.076) 28.099 27.855 ( -12.351 0.000 -5.126) 13.373 28.108 ( -18.046 0.000 -10.460) 20.859 28.146 ( -19.057 0.000 -11.432) 22.223 28.275 ( -20.648 0.000 -10.347) 23.095 28.988 ( 3.043 0.000 14.914) 15.221 29.038 ( -8.895 0.000 27.703) 29.096 29.287 ( 6.957 0.000 13.757) 15.416 29.346 ( -6.058 0.000 22.976) 23.761 30.152 ( -16.972 0.000 14.528) 22.340 31.118 ( -28.447 0.000 -0.553) 28.452 31.229 ( -26.932 0.000 -1.841) 26.995 31.876 ( -16.919 0.000 -7.145) 18.366 32.516 ( 11.494 0.000 0.129) 11.494 32.533 ( 18.960 0.000 1.949) 19.060 32.725 ( 22.815 0.000 -3.346) 23.059 32.930 ( 18.629 0.000 1.207) 18.668 33.071 ( 20.468 0.000 -8.899) 22.319 33.092 ( 12.235 0.000 -3.452) 12.713 33.215 ( 16.363 0.000 -1.741) 16.455 33.245 ( 2.977 0.000 2.009) 3.591 33.322 ( 6.830 0.000 6.766) 9.614 33.443 ( 15.464 0.000 1.551) 15.541 33.552 ( 23.794 0.000 -8.717) 25.340 33.659 ( 12.600 0.000 2.575) 12.861 33.764 ( 7.050 0.000 4.737) 8.493 33.870 ( 10.800 0.000 -2.204) 11.022 33.950 ( 10.239 0.000 4.022) 11.001 34.907 ( -2.744 0.000 -13.776) 14.046 ======================= Grid point 30 (14/40) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 23.349 0.000 4.616) 23.801 2.690 ( 23.879 0.000 8.944) 25.499 2.702 ( 28.140 0.000 6.190) 28.813 2.954 ( 15.954 0.000 12.959) 20.554 3.109 ( 13.431 0.000 18.823) 23.123 3.308 ( 17.413 0.000 2.041) 17.532 3.326 ( 9.661 0.000 10.281) 14.108 3.567 ( 10.304 0.000 -1.884) 10.475 3.615 ( 16.735 0.000 14.003) 21.821 3.815 ( 21.341 0.000 14.826) 25.986 4.055 ( 8.100 0.000 0.069) 8.100 4.055 ( 5.407 0.000 -4.577) 7.084 4.093 ( 8.280 0.000 2.244) 8.579 4.095 ( 7.567 0.000 5.882) 9.584 4.193 ( -0.397 0.000 4.777) 4.793 4.220 ( 9.810 0.000 3.171) 10.310 4.483 ( -1.279 0.000 0.926) 1.579 4.560 ( 5.522 0.000 -7.869) 9.613 4.646 ( 0.497 0.000 -2.152) 2.208 4.773 ( 7.034 0.000 -8.013) 10.662 4.865 ( 3.590 0.000 8.719) 9.429 5.183 ( -0.426 0.000 -5.709) 5.725 5.214 ( 15.888 0.000 15.893) 22.473 5.362 ( -7.205 0.000 2.401) 7.594 5.442 ( 2.074 0.000 -7.655) 7.931 5.464 ( 5.817 0.000 -6.862) 8.996 5.487 ( 15.949 0.000 -7.729) 17.723 5.623 ( -3.729 0.000 -4.848) 6.116 5.749 ( -4.295 0.000 -3.800) 5.735 5.777 ( 5.872 0.000 -0.162) 5.875 5.908 ( -10.852 0.000 7.296) 13.076 5.925 ( 13.081 0.000 -1.955) 13.227 6.005 ( -1.364 0.000 3.762) 4.002 6.143 ( 50.675 0.000 -3.612) 50.803 6.224 ( 26.022 0.000 1.518) 26.067 6.313 ( -15.494 0.000 11.875) 19.521 6.360 ( 4.507 0.000 10.493) 11.420 6.374 ( -10.630 0.000 11.227) 15.462 6.436 ( -3.505 0.000 6.604) 7.476 6.475 ( 10.192 0.000 3.032) 10.634 6.651 ( -8.039 0.000 4.241) 9.089 6.788 ( 12.713 0.000 4.029) 13.336 6.861 ( 21.769 0.000 1.591) 21.827 6.879 ( -12.307 0.000 8.623) 15.028 6.982 ( 34.178 0.000 -4.689) 34.498 7.024 ( 18.489 0.000 -3.337) 18.788 7.144 ( -3.672 0.000 1.967) 4.165 7.258 ( 2.383 0.000 1.927) 3.065 7.295 ( 31.080 0.000 -4.248) 31.369 7.305 ( 25.340 0.000 -2.733) 25.487 7.447 ( -1.339 0.000 3.334) 3.592 7.481 ( 5.539 0.000 -4.595) 7.197 7.560 ( -2.771 0.000 2.315) 3.611 7.652 ( 5.560 0.000 -1.554) 5.773 7.714 ( 13.768 0.000 0.265) 13.771 7.791 ( -2.153 0.000 -1.856) 2.843 7.797 ( 6.793 0.000 -1.322) 6.920 7.806 ( 8.069 0.000 -3.692) 8.874 7.922 ( 7.296 0.000 -4.700) 8.679 7.985 ( -0.453 0.000 -0.840) 0.954 8.048 ( 11.895 0.000 0.075) 11.896 8.164 ( -1.259 0.000 3.616) 3.828 8.287 ( 14.935 0.000 -0.987) 14.968 8.401 ( -5.094 0.000 9.472) 10.755 8.411 ( 14.830 0.000 2.608) 15.058 8.502 ( 5.296 0.000 3.380) 6.283 8.667 ( 9.364 0.000 -5.147) 10.685 8.668 ( -3.882 0.000 -4.175) 5.701 8.703 ( -3.902 0.000 -3.078) 4.970 8.882 ( 0.601 0.000 1.703) 1.806 8.971 ( -3.139 0.000 -3.857) 4.973 8.982 ( -12.008 0.000 0.865) 12.040 9.021 ( -2.793 0.000 -3.804) 4.719 9.111 ( -11.431 0.000 -6.663) 13.231 9.277 ( -4.001 0.000 0.572) 4.042 9.363 ( -12.202 0.000 -3.809) 12.783 9.420 ( -10.678 0.000 -2.490) 10.965 9.422 ( -6.732 0.000 0.689) 6.767 9.496 ( -9.396 0.000 1.025) 9.452 9.566 ( -14.319 0.000 1.712) 14.421 9.694 ( -6.333 0.000 -4.959) 8.043 9.770 ( 1.035 0.000 -12.856) 12.897 9.825 ( -9.226 0.000 -1.358) 9.326 9.847 ( -7.255 0.000 -4.425) 8.498 9.979 ( -8.368 0.000 0.153) 8.370 10.064 ( -10.011 0.000 -3.629) 10.649 10.194 ( -3.937 0.000 1.504) 4.215 10.268 ( -10.852 0.000 -1.960) 11.028 10.448 ( -0.286 0.000 0.937) 0.980 10.614 ( 8.198 0.000 2.974) 8.721 10.631 ( -4.681 0.000 1.865) 5.038 10.804 ( -13.199 0.000 3.596) 13.680 10.833 ( -2.856 0.000 1.533) 3.242 10.875 ( -2.788 0.000 -1.691) 3.261 10.917 ( 2.654 0.000 -1.402) 3.002 10.999 ( -2.878 0.000 0.962) 3.035 11.261 ( 0.206 0.000 -3.822) 3.828 11.279 ( -2.279 0.000 -3.387) 4.082 11.344 ( -5.823 0.000 -2.439) 6.313 11.364 ( -3.199 0.000 -2.594) 4.119 11.428 ( -1.671 0.000 -5.793) 6.029 11.523 ( -0.953 0.000 -2.327) 2.514 11.567 ( 3.329 0.000 -8.398) 9.033 11.616 ( 6.094 0.000 -5.238) 8.035 11.726 ( 6.210 0.000 6.657) 9.104 12.095 ( 7.708 0.000 -3.328) 8.396 12.276 ( 0.289 0.000 -0.559) 0.629 12.319 ( 11.392 0.000 -3.625) 11.954 12.439 ( 9.287 0.000 -0.805) 9.322 12.470 ( 7.818 0.000 3.980) 8.772 12.566 ( 8.590 0.000 -3.073) 9.123 12.860 ( -3.188 0.000 1.159) 3.392 12.876 ( 11.009 0.000 4.637) 11.946 12.925 ( 13.051 0.000 -2.894) 13.368 13.105 ( 14.437 0.000 -5.471) 15.439 13.406 ( 10.816 0.000 -4.236) 11.616 13.586 ( -6.805 0.000 -3.880) 7.833 13.621 ( -0.899 0.000 -7.540) 7.593 13.936 ( -3.014 0.000 -9.057) 9.545 14.045 ( -4.729 0.000 1.891) 5.093 14.138 ( -3.671 0.000 -11.816) 12.374 14.307 ( -2.482 0.000 5.977) 6.472 14.459 ( 3.205 0.000 -1.144) 3.403 14.513 ( -16.738 0.000 4.784) 17.408 14.702 ( -10.160 0.000 -3.259) 10.670 14.710 ( 1.483 0.000 -5.818) 6.004 14.752 ( 12.288 0.000 -17.906) 21.717 14.887 ( 11.999 0.000 15.560) 19.649 15.167 ( 2.806 0.000 6.939) 7.485 15.307 ( 0.177 0.000 -4.109) 4.112 15.616 ( 0.808 0.000 0.109) 0.816 15.664 ( 15.968 0.000 -8.764) 18.215 15.850 ( 1.579 0.000 3.794) 4.109 15.971 ( 2.973 0.000 7.596) 8.157 16.023 ( 2.022 0.000 7.240) 7.517 16.319 ( -1.898 0.000 7.816) 8.043 16.501 ( 14.693 0.000 16.914) 22.405 16.635 ( -1.126 0.000 -1.796) 2.120 16.698 ( 13.285 0.000 -0.169) 13.286 16.760 ( 3.500 0.000 -10.343) 10.919 16.879 ( 0.679 0.000 -3.100) 3.174 17.019 ( -1.602 0.000 8.149) 8.305 17.103 ( -1.144 0.000 11.030) 11.089 17.166 ( -9.807 0.000 -0.736) 9.834 17.376 ( 0.178 0.000 9.582) 9.584 17.390 ( 11.571 0.000 -8.159) 14.158 17.475 ( -8.689 0.000 14.193) 16.642 17.579 ( 5.178 0.000 0.437) 5.196 17.714 ( -6.196 0.000 -5.164) 8.066 17.784 ( -9.041 0.000 8.171) 12.186 18.052 ( -2.056 0.000 -17.453) 17.574 18.067 ( -16.849 0.000 2.279) 17.003 20.271 ( 2.082 0.000 -4.177) 4.667 20.324 ( 6.640 0.000 -2.798) 7.206 20.452 ( 23.459 0.000 -6.609) 24.372 20.492 ( 18.965 0.000 -2.742) 19.162 20.817 ( 15.193 0.000 1.380) 15.256 21.025 ( 24.363 0.000 -6.571) 25.233 21.227 ( 22.547 0.000 -9.617) 24.513 21.474 ( 20.790 0.000 -7.510) 22.105 22.003 ( -42.036 0.000 10.504) 43.328 22.163 ( -39.271 0.000 7.710) 40.021 22.276 ( -38.806 0.000 8.724) 39.774 22.563 ( -33.472 0.000 6.437) 34.085 22.805 ( -31.113 0.000 -2.739) 31.233 22.928 ( -25.900 0.000 -3.538) 26.140 23.077 ( -27.621 0.000 -2.934) 27.777 23.154 ( -25.499 0.000 -2.576) 25.629 24.194 ( 1.185 0.000 1.859) 2.204 24.325 ( -1.902 0.000 1.693) 2.547 24.484 ( -0.193 0.000 -2.137) 2.146 24.586 ( -3.788 0.000 -3.700) 5.295 24.823 ( 3.868 0.000 -0.986) 3.992 24.828 ( 1.168 0.000 -1.438) 1.853 25.193 ( -9.394 0.000 3.391) 9.987 25.408 ( -10.640 0.000 -0.899) 10.678 25.440 ( 9.705 0.000 2.471) 10.015 25.465 ( 7.758 0.000 0.893) 7.810 25.646 ( 9.088 0.000 2.970) 9.561 25.707 ( 12.748 0.000 2.264) 12.948 26.046 ( -5.338 0.000 5.433) 7.617 26.221 ( -19.140 0.000 -6.421) 20.188 26.468 ( -21.099 0.000 -9.747) 23.242 27.043 ( 0.939 0.000 3.682) 3.800 27.072 ( -24.638 0.000 -7.162) 25.658 27.114 ( 3.934 0.000 6.063) 7.228 27.125 ( 3.644 0.000 7.312) 8.169 27.169 ( 4.886 0.000 5.333) 7.232 27.576 ( -13.397 0.000 -1.570) 13.489 27.742 ( -16.299 0.000 -4.849) 17.005 27.758 ( -17.020 0.000 -4.956) 17.727 27.852 ( -18.550 0.000 -5.801) 19.436 28.975 ( 2.066 0.000 18.966) 19.078 29.142 ( 11.440 0.000 7.764) 13.826 29.382 ( 6.836 0.000 5.973) 9.078 29.573 ( 18.355 0.000 1.405) 18.409 29.784 ( -16.965 0.000 12.429) 21.031 30.504 ( -29.068 0.000 -0.728) 29.077 30.644 ( -27.758 0.000 -2.099) 27.837 31.320 ( -31.836 0.000 -8.506) 32.952 32.824 ( 15.378 0.000 2.078) 15.518 32.908 ( 16.089 0.000 3.051) 16.375 33.163 ( 17.965 0.000 -3.286) 18.263 33.278 ( 3.203 0.000 0.295) 3.217 33.291 ( 15.271 0.000 0.599) 15.283 33.299 ( 2.423 0.000 2.461) 3.453 33.392 ( 10.893 0.000 -3.133) 11.335 33.524 ( 11.264 0.000 -0.440) 11.273 33.549 ( 13.527 0.000 6.999) 15.231 33.729 ( 11.200 0.000 -4.118) 11.933 33.839 ( 5.007 0.000 5.108) 7.152 33.869 ( 8.077 0.000 3.397) 8.762 34.008 ( 15.163 0.000 -7.690) 17.002 34.170 ( 15.673 0.000 -3.550) 16.070 34.190 ( 10.061 0.000 -0.116) 10.062 34.831 ( -4.798 0.000 -10.916) 11.924 ======================= Grid point 31 (15/40) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 21.692 0.000 -0.534) 21.698 3.094 ( 11.710 0.000 0.711) 11.732 3.149 ( 16.522 0.000 4.893) 17.231 3.203 ( 3.171 0.000 2.833) 4.252 3.355 ( -5.009 0.000 5.417) 7.378 3.394 ( 1.635 0.000 1.227) 2.044 3.677 ( 4.077 0.000 10.211) 10.995 3.757 ( 21.323 0.000 -0.960) 21.344 3.776 ( 11.079 0.000 -9.247) 14.431 4.015 ( -13.968 0.000 1.851) 14.090 4.027 ( -3.949 0.000 -9.351) 10.151 4.188 ( -8.221 0.000 -0.107) 8.222 4.252 ( 12.763 0.000 0.829) 12.790 4.296 ( 17.945 0.000 12.278) 21.743 4.358 ( 4.955 0.000 4.799) 6.897 4.381 ( 9.940 0.000 1.575) 10.064 4.525 ( 5.693 0.000 3.421) 6.642 4.575 ( -3.470 0.000 4.427) 5.624 4.675 ( 6.506 0.000 -4.472) 7.894 4.809 ( -6.411 0.000 -0.056) 6.411 4.814 ( -3.994 0.000 -2.161) 4.541 5.002 ( -20.784 0.000 8.020) 22.278 5.259 ( 6.517 0.000 7.029) 9.585 5.346 ( 1.104 0.000 0.762) 1.341 5.408 ( -5.277 0.000 -3.590) 6.383 5.478 ( -11.693 0.000 11.953) 16.721 5.640 ( 1.659 0.000 -0.686) 1.796 5.689 ( 13.829 0.000 10.387) 17.295 5.708 ( 7.495 0.000 -2.729) 7.976 5.815 ( -4.504 0.000 -0.180) 4.508 5.899 ( -8.781 0.000 10.030) 13.331 5.907 ( 0.373 0.000 7.936) 7.945 6.001 ( -2.710 0.000 4.727) 5.449 6.131 ( 9.335 0.000 7.200) 11.789 6.146 ( -2.295 0.000 -0.704) 2.401 6.324 ( -3.337 0.000 14.299) 14.684 6.342 ( -4.434 0.000 3.507) 5.653 6.452 ( 6.567 0.000 12.399) 14.031 6.555 ( -15.953 0.000 10.983) 19.368 6.691 ( -13.714 0.000 4.679) 14.490 6.727 ( 9.112 0.000 3.061) 9.612 6.843 ( 18.104 0.000 0.126) 18.105 7.037 ( -5.832 0.000 -5.985) 8.357 7.039 ( 0.913 0.000 -6.060) 6.129 7.051 ( 22.694 0.000 -6.580) 23.628 7.223 ( 5.152 0.000 -2.958) 5.941 7.249 ( 3.750 0.000 -2.777) 4.666 7.354 ( -6.550 0.000 -5.752) 8.717 7.441 ( -6.340 0.000 -3.378) 7.183 7.472 ( -8.786 0.000 -0.169) 8.787 7.584 ( 8.444 0.000 0.585) 8.464 7.691 ( -0.142 0.000 5.599) 5.601 7.710 ( 11.913 0.000 4.097) 12.598 7.864 ( 4.812 0.000 -1.494) 5.038 7.876 ( -2.517 0.000 0.657) 2.601 7.885 ( 7.154 0.000 -0.925) 7.214 7.978 ( 23.159 0.000 0.237) 23.161 8.057 ( 17.966 0.000 -0.299) 17.968 8.240 ( 5.919 0.000 -0.125) 5.920 8.245 ( 7.381 0.000 0.730) 7.418 8.291 ( 19.592 0.000 0.247) 19.593 8.347 ( -4.750 0.000 1.084) 4.872 8.444 ( 11.956 0.000 1.708) 12.078 8.520 ( 13.824 0.000 0.906) 13.854 8.620 ( -1.034 0.000 -3.433) 3.585 8.667 ( -2.636 0.000 -3.453) 4.344 8.671 ( 13.006 0.000 -9.141) 15.897 8.735 ( 10.155 0.000 4.040) 10.929 8.831 ( -9.654 0.000 -3.924) 10.421 8.877 ( -10.476 0.000 0.496) 10.488 8.896 ( 8.681 0.000 -3.119) 9.224 8.930 ( 18.314 0.000 1.532) 18.378 8.990 ( 5.513 0.000 1.470) 5.705 9.016 ( -2.667 0.000 -5.781) 6.367 9.095 ( -1.464 0.000 -1.524) 2.113 9.135 ( -7.085 0.000 -1.839) 7.320 9.160 ( -12.485 0.000 0.290) 12.488 9.262 ( -7.153 0.000 3.825) 8.111 9.316 ( -22.518 0.000 -1.275) 22.555 9.359 ( 4.942 0.000 2.070) 5.357 9.439 ( -0.344 0.000 4.625) 4.638 9.551 ( -16.047 0.000 -0.362) 16.051 9.677 ( -18.395 0.000 2.870) 18.618 9.715 ( -18.910 0.000 -3.380) 19.209 9.851 ( 5.837 0.000 -0.367) 5.849 9.940 ( 7.301 0.000 -12.015) 14.060 10.040 ( -10.498 0.000 -0.141) 10.499 10.087 ( -6.313 0.000 -5.745) 8.536 10.507 ( 6.063 0.000 0.020) 6.063 10.564 ( -1.103 0.000 -0.187) 1.118 10.605 ( -5.434 0.000 0.890) 5.506 10.669 ( -7.779 0.000 2.934) 8.314 10.767 ( 3.919 0.000 -0.325) 3.932 10.839 ( -2.339 0.000 0.367) 2.368 11.003 ( 5.407 0.000 -3.200) 6.283 11.041 ( 5.839 0.000 -3.386) 6.750 11.143 ( -7.818 0.000 -4.277) 8.912 11.179 ( -6.428 0.000 -3.248) 7.202 11.322 ( 1.938 0.000 -3.267) 3.799 11.334 ( 1.336 0.000 -3.974) 4.193 11.375 ( -2.932 0.000 -4.353) 5.249 11.419 ( -6.230 0.000 -4.536) 7.706 11.659 ( 3.676 0.000 -9.818) 10.483 11.692 ( 0.857 0.000 -8.783) 8.825 12.034 ( 18.584 0.000 4.423) 19.103 12.230 ( 4.121 0.000 -1.388) 4.349 12.272 ( -0.528 0.000 0.275) 0.595 12.355 ( -9.075 0.000 1.543) 9.205 12.628 ( 8.138 0.000 -1.541) 8.283 12.641 ( 8.800 0.000 -2.923) 9.273 12.713 ( 1.466 0.000 -7.044) 7.195 12.781 ( -4.627 0.000 -0.755) 4.689 13.119 ( 12.849 0.000 6.148) 14.244 13.232 ( 14.445 0.000 -2.820) 14.718 13.343 ( -3.736 0.000 -5.204) 6.406 13.479 ( -7.710 0.000 -5.848) 9.677 13.521 ( 9.722 0.000 -5.178) 11.015 13.679 ( 11.346 0.000 -1.329) 11.424 13.771 ( -10.978 0.000 -6.648) 12.834 13.957 ( -12.920 0.000 -7.063) 14.724 14.014 ( 2.609 0.000 2.622) 3.699 14.161 ( -10.039 0.000 2.818) 10.427 14.329 ( -0.387 0.000 7.298) 7.308 14.443 ( -10.773 0.000 2.101) 10.976 14.508 ( 3.532 0.000 0.202) 3.538 14.618 ( -6.265 0.000 -4.101) 7.488 14.971 ( 8.411 0.000 -12.072) 14.713 15.120 ( -5.822 0.000 -7.092) 9.176 15.200 ( 16.313 0.000 14.955) 22.130 15.474 ( 9.232 0.000 -6.508) 11.296 15.556 ( -16.564 0.000 9.061) 18.880 15.597 ( -2.967 0.000 -6.156) 6.834 15.930 ( 5.801 0.000 5.122) 7.738 16.028 ( -2.187 0.000 5.155) 5.600 16.147 ( 9.406 0.000 -4.500) 10.428 16.291 ( -4.030 0.000 2.709) 4.855 16.696 ( 4.928 0.000 12.556) 13.488 16.701 ( 6.832 0.000 -8.218) 10.687 16.774 ( -3.620 0.000 2.229) 4.251 16.798 ( -0.959 0.000 -9.462) 9.511 16.930 ( 3.528 0.000 -1.433) 3.808 17.021 ( -4.858 0.000 1.046) 4.969 17.073 ( 7.624 0.000 2.948) 8.175 17.154 ( 0.213 0.000 5.995) 5.999 17.358 ( -0.617 0.000 10.790) 10.808 17.388 ( -0.675 0.000 12.319) 12.337 17.541 ( 4.031 0.000 0.880) 4.126 17.632 ( -5.443 0.000 6.612) 8.564 17.664 ( 0.140 0.000 -0.030) 0.143 17.758 ( 10.581 0.000 -5.074) 11.734 17.762 ( -10.492 0.000 0.105) 10.492 17.955 ( -7.372 0.000 -11.572) 13.721 20.514 ( 21.844 0.000 4.190) 22.242 20.672 ( 25.876 0.000 3.863) 26.163 20.805 ( 24.675 0.000 3.883) 24.978 21.147 ( -34.912 0.000 9.244) 36.115 21.246 ( 21.362 0.000 3.862) 21.709 21.250 ( 35.629 0.000 -5.759) 36.091 21.354 ( -35.038 0.000 7.543) 35.841 21.478 ( -32.616 0.000 8.307) 33.657 21.627 ( 30.920 0.000 -7.036) 31.710 21.780 ( 21.876 0.000 -6.731) 22.888 21.875 ( -24.464 0.000 4.750) 24.921 21.983 ( 26.750 0.000 -7.417) 27.759 22.080 ( -36.806 0.000 -3.999) 37.022 22.314 ( -31.866 0.000 -5.532) 32.343 22.448 ( -31.615 0.000 -5.626) 32.111 22.580 ( -28.692 0.000 -5.567) 29.227 24.227 ( 1.940 0.000 1.548) 2.482 24.275 ( -2.538 0.000 1.524) 2.961 24.484 ( 0.568 0.000 -2.279) 2.348 24.517 ( -2.579 0.000 -2.695) 3.730 24.878 ( 4.016 0.000 -0.504) 4.048 24.936 ( 7.462 0.000 -1.245) 7.565 25.004 ( -7.935 0.000 1.277) 8.038 25.145 ( -12.224 0.000 -1.133) 12.276 25.652 ( 9.886 0.000 0.977) 9.934 25.661 ( 11.164 0.000 1.609) 11.279 25.828 ( 5.316 0.000 1.331) 5.480 25.883 ( -11.926 0.000 -0.824) 11.954 25.911 ( -4.787 0.000 4.327) 6.452 26.061 ( 18.540 0.000 -0.322) 18.543 26.094 ( -14.169 0.000 -0.761) 14.189 26.521 ( -24.550 0.000 -3.747) 24.834 27.143 ( 6.326 0.000 2.773) 6.907 27.234 ( 7.585 0.000 2.080) 7.865 27.240 ( 7.089 0.000 2.782) 7.616 27.300 ( 7.934 0.000 1.506) 8.076 27.322 ( -10.071 0.000 0.927) 10.113 27.441 ( -12.141 0.000 -1.367) 12.217 27.449 ( -12.264 0.000 -0.934) 12.299 27.519 ( -13.052 0.000 -2.103) 13.221 29.104 ( 9.871 0.000 11.646) 15.267 29.363 ( -13.189 0.000 5.421) 14.260 29.458 ( 18.625 0.000 2.127) 18.746 29.701 ( 13.819 0.000 5.609) 14.914 29.900 ( -17.868 0.000 -3.230) 18.158 30.064 ( 18.296 0.000 -1.028) 18.325 30.103 ( -23.162 0.000 -0.674) 23.172 30.645 ( -31.220 0.000 -6.795) 31.951 33.104 ( 10.701 0.000 2.579) 11.007 33.183 ( 9.632 0.000 3.264) 10.170 33.261 ( -3.914 0.000 2.615) 4.707 33.312 ( -2.400 0.000 2.959) 3.811 33.447 ( 8.712 0.000 -2.777) 9.144 33.516 ( 2.792 0.000 -2.048) 3.463 33.558 ( 7.498 0.000 -0.241) 7.502 33.644 ( 0.312 0.000 -0.019) 0.313 33.791 ( 8.438 0.000 5.486) 10.065 33.886 ( -0.768 0.000 4.870) 4.930 33.919 ( 6.477 0.000 -1.751) 6.709 33.975 ( 1.367 0.000 0.214) 1.383 34.253 ( 7.654 0.000 -4.574) 8.917 34.317 ( 1.631 0.000 -2.731) 3.181 34.473 ( 12.744 0.000 -4.953) 13.672 34.695 ( -8.412 0.000 -7.572) 11.318 ======================= Grid point 36 (16/40) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 27.545 28.589) 39.699 1.372 ( 0.000 38.094 30.408) 48.742 1.703 ( 0.000 -26.602 19.635) 33.064 1.864 ( 0.000 -9.622 8.584) 12.894 1.906 ( 0.000 36.494 34.459) 50.192 2.164 ( 0.000 -11.172 21.462) 24.196 2.214 ( 0.000 -3.725 15.598) 16.037 2.429 ( 0.000 3.301 24.927) 25.145 2.510 ( 0.000 -4.354 24.933) 25.310 2.856 ( 0.000 -45.709 11.743) 47.194 2.909 ( 0.000 6.766 5.068) 8.454 2.988 ( 0.000 17.957 0.280) 17.959 3.000 ( 0.000 -4.840 6.690) 8.257 3.272 ( 0.000 -10.666 2.039) 10.859 3.405 ( 0.000 -1.205 -4.168) 4.339 3.418 ( 0.000 -3.333 -4.493) 5.595 3.572 ( 0.000 5.590 5.072) 7.548 3.651 ( 0.000 -3.986 11.314) 11.995 3.935 ( 0.000 11.158 13.299) 17.359 4.080 ( 0.000 -0.234 11.489) 11.492 4.175 ( 0.000 -5.182 9.112) 10.482 4.194 ( 0.000 -1.277 -1.315) 1.833 4.244 ( 0.000 3.581 4.024) 5.387 4.297 ( 0.000 -1.136 -6.498) 6.597 4.700 ( 0.000 1.178 0.373) 1.236 4.765 ( 0.000 -3.814 -2.802) 4.733 4.797 ( 0.000 4.385 5.177) 6.785 4.852 ( 0.000 -0.769 2.593) 2.705 5.015 ( 0.000 4.754 4.724) 6.702 5.196 ( 0.000 6.566 8.217) 10.518 5.223 ( 0.000 -11.980 3.654) 12.525 5.317 ( 0.000 -6.517 5.243) 8.364 5.451 ( 0.000 14.710 -3.662) 15.159 5.664 ( 0.000 -8.283 -4.252) 9.311 5.726 ( 0.000 10.445 1.867) 10.611 5.946 ( 0.000 19.977 -4.946) 20.580 5.965 ( 0.000 -14.565 0.884) 14.592 6.274 ( 0.000 -7.672 -4.855) 9.079 6.355 ( 0.000 0.839 -14.474) 14.498 6.400 ( 0.000 -7.947 -13.696) 15.835 6.648 ( 0.000 7.952 -4.318) 9.049 6.792 ( 0.000 -6.349 -2.266) 6.742 6.931 ( 0.000 4.713 8.038) 9.318 6.983 ( 0.000 5.354 12.890) 13.958 7.046 ( 0.000 0.340 -2.910) 2.930 7.080 ( 0.000 -7.410 7.182) 10.319 7.134 ( 0.000 1.261 -5.503) 5.646 7.161 ( 0.000 0.905 -4.778) 4.863 7.246 ( 0.000 -2.349 1.190) 2.633 7.250 ( 0.000 2.346 3.267) 4.022 7.452 ( 0.000 -3.641 1.343) 3.880 7.483 ( 0.000 3.322 -2.830) 4.364 7.495 ( 0.000 -1.244 -2.054) 2.401 7.631 ( 0.000 -5.111 -6.492) 8.263 7.754 ( 0.000 3.741 -3.414) 5.065 7.755 ( 0.000 4.845 -11.031) 12.048 7.907 ( 0.000 -2.001 -12.729) 12.885 7.910 ( 0.000 -0.980 -7.922) 7.982 8.114 ( 0.000 2.138 10.157) 10.380 8.223 ( 0.000 -6.749 7.900) 10.391 8.239 ( 0.000 1.997 -7.736) 7.990 8.271 ( 0.000 -3.072 -7.171) 7.802 8.490 ( 0.000 6.076 -7.925) 9.986 8.509 ( 0.000 12.817 -15.142) 19.838 8.587 ( 0.000 5.222 -0.117) 5.223 8.601 ( 0.000 1.858 -12.615) 12.751 8.763 ( 0.000 1.088 -7.329) 7.410 8.783 ( 0.000 -0.436 -5.929) 5.945 8.812 ( 0.000 4.766 -12.739) 13.601 8.865 ( 0.000 -5.822 5.572) 8.058 8.912 ( 0.000 1.222 -16.313) 16.359 9.055 ( 0.000 -5.418 -27.690) 28.215 9.127 ( 0.000 1.914 -10.159) 10.338 9.136 ( 0.000 -0.125 -13.148) 13.149 9.389 ( 0.000 1.542 -5.390) 5.607 9.464 ( 0.000 -7.596 -6.893) 10.257 9.664 ( 0.000 5.325 -5.258) 7.484 9.771 ( 0.000 -4.999 -10.176) 11.337 9.889 ( 0.000 2.245 -5.322) 5.776 9.907 ( 0.000 1.805 -8.574) 8.762 9.985 ( 0.000 7.226 1.115) 7.312 10.065 ( 0.000 0.134 2.946) 2.949 10.075 ( 0.000 6.885 7.242) 9.992 10.212 ( 0.000 -7.274 3.129) 7.919 10.312 ( 0.000 0.858 11.215) 11.247 10.377 ( 0.000 -3.585 5.630) 6.674 10.447 ( 0.000 2.820 5.626) 6.293 10.457 ( 0.000 1.682 5.119) 5.388 10.539 ( 0.000 2.448 4.549) 5.166 10.637 ( 0.000 6.387 3.393) 7.232 10.640 ( 0.000 -8.405 5.747) 10.182 10.699 ( 0.000 4.931 3.920) 6.299 10.782 ( 0.000 -6.831 -2.263) 7.196 10.831 ( 0.000 -10.540 6.302) 12.280 11.112 ( 0.000 8.854 0.169) 8.856 11.249 ( 0.000 13.889 -5.191) 14.827 11.256 ( 0.000 -5.006 0.664) 5.050 11.281 ( 0.000 2.699 6.628) 7.157 11.373 ( 0.000 -1.284 5.963) 6.100 11.437 ( 0.000 13.923 -1.141) 13.970 11.549 ( 0.000 -12.469 -5.194) 13.508 11.613 ( 0.000 -5.388 -7.120) 8.929 11.676 ( 0.000 0.005 -1.971) 1.971 11.692 ( 0.000 -1.765 -1.025) 2.041 11.813 ( 0.000 3.076 5.548) 6.343 11.829 ( 0.000 0.287 5.684) 5.691 11.877 ( 0.000 2.077 3.042) 3.683 11.911 ( 0.000 -1.440 -4.838) 5.048 12.245 ( 0.000 7.504 -13.963) 15.852 12.358 ( 0.000 -3.512 -9.677) 10.295 12.449 ( 0.000 -5.314 14.363) 15.315 12.457 ( 0.000 -0.988 -0.498) 1.106 12.510 ( 0.000 -4.340 -2.734) 5.130 12.640 ( 0.000 -11.297 -2.406) 11.550 13.061 ( 0.000 14.276 -3.217) 14.634 13.197 ( 0.000 -3.727 -6.399) 7.405 13.286 ( 0.000 6.132 2.417) 6.591 13.402 ( 0.000 4.723 -0.862) 4.801 13.537 ( 0.000 -3.029 -6.057) 6.772 13.559 ( 0.000 -5.421 -1.198) 5.552 13.799 ( 0.000 -11.116 9.571) 14.669 13.871 ( 0.000 -8.419 4.671) 9.628 14.114 ( 0.000 4.079 3.685) 5.498 14.160 ( 0.000 -0.967 -1.683) 1.941 14.213 ( 0.000 6.251 4.215) 7.539 14.372 ( 0.000 -9.486 5.354) 10.893 14.499 ( 0.000 0.162 -0.881) 0.896 14.513 ( 0.000 -1.862 5.220) 5.542 15.293 ( 0.000 0.628 3.379) 3.437 15.309 ( 0.000 -1.096 1.993) 2.274 15.418 ( 0.000 0.831 5.440) 5.503 15.428 ( 0.000 -0.251 5.856) 5.861 15.618 ( 0.000 -0.861 4.792) 4.869 15.679 ( 0.000 -6.741 5.712) 8.836 15.771 ( 0.000 13.473 4.696) 14.268 15.957 ( 0.000 -0.228 11.411) 11.413 16.271 ( 0.000 -4.854 11.404) 12.394 16.277 ( 0.000 -10.399 1.186) 10.467 16.441 ( 0.000 4.856 11.061) 12.080 16.586 ( 0.000 -9.850 9.264) 13.522 16.735 ( 0.000 11.801 3.654) 12.354 16.762 ( 0.000 9.740 -1.524) 9.859 17.019 ( 0.000 -16.714 0.413) 16.720 17.042 ( 0.000 -21.497 1.317) 21.538 17.202 ( 0.000 13.882 8.339) 16.194 17.488 ( 0.000 -18.937 16.389) 25.044 17.763 ( 0.000 6.214 -14.345) 15.633 17.779 ( 0.000 -0.322 -13.362) 13.365 18.354 ( 0.000 14.888 11.787) 18.989 18.601 ( 0.000 8.469 8.980) 12.344 18.605 ( 0.000 -8.760 3.690) 9.505 18.826 ( 0.000 -13.327 15.477) 20.425 19.778 ( 0.000 13.455 -18.997) 23.279 19.954 ( 0.000 -8.495 -12.740) 15.313 20.371 ( 0.000 10.598 -10.400) 14.849 20.528 ( 0.000 -2.105 -6.847) 7.163 20.682 ( 0.000 -0.477 -2.913) 2.952 20.786 ( 0.000 -6.410 -1.595) 6.606 20.958 ( 0.000 5.908 -5.455) 8.041 21.034 ( 0.000 -2.351 -4.629) 5.191 23.801 ( 0.000 1.397 1.204) 1.844 23.834 ( 0.000 -1.720 1.217) 2.107 23.887 ( 0.000 0.079 0.070) 0.106 23.887 ( 0.000 -0.205 1.606) 1.619 23.977 ( 0.000 1.212 0.406) 1.278 24.014 ( 0.000 -2.509 1.145) 2.758 24.131 ( 0.000 3.350 -1.065) 3.515 24.175 ( 0.000 -0.826 -0.836) 1.176 24.366 ( 0.000 0.320 1.188) 1.230 24.387 ( 0.000 -1.610 0.983) 1.886 24.439 ( 0.000 0.734 -0.250) 0.775 24.440 ( 0.000 0.373 0.073) 0.380 24.887 ( 0.000 14.712 -4.219) 15.305 24.988 ( 0.000 1.797 1.963) 2.661 25.027 ( 0.000 -2.406 1.604) 2.892 25.110 ( 0.000 0.922 0.555) 1.076 25.118 ( 0.000 0.187 -0.030) 0.189 25.228 ( 0.000 -19.960 3.075) 20.196 25.907 ( 0.000 87.619 -74.880) 115.256 26.014 ( 0.000 11.852 10.559) 15.874 26.199 ( 0.000 -3.343 10.359) 10.885 26.861 ( 0.000 -10.863 -7.350) 13.116 26.912 ( 0.000 0.397 11.854) 11.860 26.919 ( 0.000 -0.381 12.320) 12.325 26.946 ( 0.000 0.590 9.846) 9.863 27.073 ( 0.000 -23.390 -29.059) 37.303 27.856 ( 0.000 13.650 -24.459) 28.010 28.050 ( 0.000 -6.917 -25.553) 26.473 28.233 ( 0.000 9.911 -12.016) 15.576 28.409 ( 0.000 -7.650 -18.003) 19.561 28.577 ( 0.000 4.180 -10.107) 10.937 28.687 ( 0.000 -7.855 -7.356) 10.761 29.207 ( 0.000 13.721 14.103) 19.676 29.484 ( 0.000 -16.126 13.881) 21.278 30.123 ( 0.000 15.662 9.760) 18.454 30.309 ( 0.000 -3.561 -4.991) 6.131 31.684 ( 0.000 1.792 8.741) 8.923 31.751 ( 0.000 -2.200 0.610) 2.283 31.795 ( 0.000 0.047 0.151) 0.158 31.797 ( 0.000 -0.081 0.184) 0.201 31.806 ( 0.000 2.117 -0.142) 2.122 31.946 ( 0.000 -15.377 -5.443) 16.312 32.281 ( 0.000 0.237 -0.002) 0.237 32.285 ( 0.000 -0.238 -0.323) 0.401 32.296 ( 0.000 0.041 -0.132) 0.138 32.297 ( 0.000 -0.149 -0.162) 0.220 32.691 ( 0.000 16.747 -12.281) 20.767 32.920 ( 0.000 -7.404 -13.149) 15.090 33.070 ( 0.000 1.588 9.723) 9.852 33.097 ( 0.000 -1.497 4.549) 4.789 33.191 ( 0.000 1.189 4.313) 4.473 33.215 ( 0.000 -1.204 2.821) 3.067 33.622 ( 0.000 14.274 22.312) 26.488 33.756 ( 0.000 3.702 4.389) 5.742 33.830 ( 0.000 -3.931 8.275) 9.162 34.195 ( 0.000 -50.842 36.760) 62.739 ======================= Grid point 37 (17/40) ======================= q-point: ( 0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 24.119 31.495 22.946) 45.827 1.760 ( 20.005 16.350 38.763) 46.584 2.077 ( 10.899 -13.527 25.733) 31.048 2.136 ( 26.411 -25.171 19.906) 41.562 2.342 ( 36.668 18.547 23.308) 47.242 2.416 ( 12.385 4.503 22.576) 26.141 2.501 ( 16.270 -1.662 18.885) 24.982 2.737 ( 31.920 0.838 14.690) 35.148 2.772 ( 34.213 -1.959 10.729) 35.910 2.974 ( 15.975 -26.101 14.139) 33.710 3.354 ( 28.356 5.629 -1.203) 28.935 3.399 ( 22.515 -2.684 -1.039) 22.698 3.427 ( 30.595 7.975 1.052) 31.634 3.555 ( 26.243 1.893 4.321) 26.664 3.611 ( 24.222 -7.763 -2.972) 25.608 3.632 ( 16.603 -1.867 4.025) 17.186 3.769 ( 28.674 2.862 -1.401) 28.851 3.844 ( 18.122 -3.470 1.815) 18.540 4.085 ( 15.678 -0.901 9.041) 18.121 4.094 ( 4.512 -2.376 8.666) 10.055 4.321 ( 17.062 4.682 0.817) 17.712 4.405 ( 14.585 -1.539 4.524) 15.348 4.469 ( 18.711 5.313 -7.060) 20.692 4.607 ( 19.946 -7.523 -1.079) 21.345 4.810 ( 13.628 2.151 -0.340) 13.801 4.848 ( 16.276 0.159 -1.006) 16.308 4.916 ( 4.810 2.814 3.465) 6.562 4.936 ( 12.347 2.370 2.178) 12.759 5.037 ( 6.591 -0.176 6.293) 9.114 5.142 ( 0.335 -4.885 9.803) 10.958 5.315 ( 3.969 -1.304 -1.752) 4.530 5.368 ( 4.364 -3.313 2.583) 6.058 5.470 ( 3.287 9.508 -1.271) 10.140 5.612 ( -0.670 -5.380 -2.064) 5.801 5.763 ( 5.037 7.839 3.329) 9.894 5.929 ( 3.030 -2.241 0.214) 3.775 6.096 ( 9.968 6.379 -3.571) 12.362 6.308 ( -5.202 -3.105 -11.930) 13.381 6.364 ( 3.563 -1.419 -10.067) 10.773 6.425 ( -1.572 -6.214 -13.456) 14.905 6.609 ( -0.505 7.086 0.069) 7.104 6.752 ( -4.960 -7.092 1.644) 8.809 6.886 ( -5.132 4.492 10.274) 12.332 6.949 ( -9.052 -1.410 1.715) 9.320 7.044 ( 0.902 1.566 2.994) 3.497 7.083 ( 4.367 -5.259 3.560) 7.708 7.145 ( -2.224 4.452 -3.445) 6.053 7.181 ( -0.406 4.069 0.381) 4.107 7.216 ( -0.704 1.711 0.005) 1.850 7.245 ( 4.117 -3.935 -4.067) 6.999 7.371 ( -9.486 2.242 0.072) 9.748 7.402 ( -5.160 -3.366 -0.391) 6.174 7.451 ( -1.528 -1.455 5.404) 5.802 7.537 ( -5.757 -5.066 -6.179) 9.848 7.682 ( -3.086 8.339 -0.362) 8.899 7.800 ( -1.708 -2.235 -2.312) 3.641 7.896 ( -2.778 1.189 -9.434) 9.906 7.917 ( -3.876 -2.669 -7.648) 8.980 7.957 ( -7.933 0.520 7.855) 11.176 8.036 ( -8.693 -6.797 2.482) 11.311 8.239 ( -6.927 4.040 -2.653) 8.447 8.295 ( -2.461 6.329 -12.749) 14.445 8.310 ( -5.377 -3.835 -3.818) 7.629 8.348 ( -5.820 2.643 -11.564) 13.213 8.531 ( -7.452 3.762 -12.230) 14.808 8.596 ( -8.547 -1.088 -12.184) 14.923 8.677 ( 0.099 7.604 0.381) 7.614 8.762 ( -2.908 -0.832 -3.282) 4.463 8.824 ( 3.676 3.257 -2.117) 5.348 8.863 ( 4.143 0.726 -9.783) 10.649 9.008 ( 4.012 2.014 -6.714) 8.077 9.056 ( 0.417 2.083 -12.347) 12.529 9.244 ( 4.687 -1.451 -11.504) 12.507 9.266 ( -1.556 -5.000 -7.478) 9.129 9.387 ( -3.812 -2.475 -2.785) 5.331 9.427 ( 8.577 -4.731 -3.588) 10.431 9.613 ( -4.124 5.330 -5.195) 8.510 9.718 ( -4.720 -5.027 -8.758) 11.146 9.847 ( -3.916 4.039 -3.908) 6.850 9.895 ( -1.018 -1.334 -3.588) 3.961 9.929 ( -5.350 4.157 -0.971) 6.844 9.993 ( -7.098 -0.206 3.842) 8.074 10.083 ( 0.036 0.257 3.887) 3.896 10.140 ( -6.093 -3.694 1.295) 7.242 10.231 ( -8.019 -0.653 8.139) 11.445 10.248 ( -3.422 -1.747 10.292) 10.986 10.328 ( -8.482 4.896 3.469) 10.389 10.434 ( -4.032 -6.016 4.454) 8.502 10.537 ( -0.028 4.504 1.540) 4.761 10.635 ( 0.630 -3.510 5.853) 6.854 10.681 ( 1.201 10.086 1.733) 10.305 10.758 ( 6.663 2.910 5.803) 9.303 10.859 ( 3.396 -7.403 1.235) 8.239 10.925 ( 3.899 -11.100 2.968) 12.133 11.054 ( -2.316 7.888 2.081) 8.480 11.172 ( -2.326 -1.675 -0.248) 2.877 11.246 ( -2.233 4.612 -0.244) 5.130 11.290 ( -4.617 3.524 5.505) 8.002 11.323 ( 0.765 1.676 1.958) 2.688 11.403 ( -1.691 7.269 -0.708) 7.496 11.468 ( -8.638 -4.264 -3.745) 10.335 11.585 ( 1.472 -8.417 -4.738) 9.770 11.684 ( -1.088 0.509 -2.255) 2.555 11.723 ( -0.266 -3.092 -2.199) 3.804 11.805 ( -2.876 4.319 2.623) 5.814 11.828 ( 1.570 2.902 0.828) 3.402 11.886 ( 5.918 1.357 1.880) 6.356 11.950 ( 3.894 -5.685 -0.936) 6.954 12.245 ( -4.351 6.773 -2.783) 8.518 12.385 ( -0.195 -7.213 -5.837) 9.281 12.419 ( -3.572 -0.363 4.548) 5.794 12.454 ( 6.397 -1.409 -2.805) 7.126 12.635 ( 15.027 1.354 -4.786) 15.829 12.657 ( 13.260 -2.343 -0.925) 13.497 12.921 ( -7.750 11.499 1.465) 13.943 13.125 ( -9.829 -8.755 -0.216) 13.165 13.541 ( 6.517 7.726 -6.580) 12.060 13.659 ( 8.978 2.544 -8.433) 12.577 13.708 ( 12.270 -6.909 -6.880) 15.672 13.733 ( 21.243 -3.583 -5.976) 22.357 13.966 ( 15.334 6.201 -4.754) 17.210 14.046 ( 4.102 1.558 1.520) 4.644 14.137 ( 8.431 1.286 -5.241) 10.010 14.189 ( 4.653 -1.761 0.817) 5.042 14.457 ( 3.407 0.393 -1.966) 3.953 14.483 ( 2.171 -2.632 0.684) 3.480 14.581 ( 18.115 10.615 5.648) 21.742 14.995 ( 36.949 -29.176 -8.128) 47.776 15.215 ( -3.526 0.176 2.447) 4.296 15.249 ( -4.651 -3.152 2.835) 6.293 15.382 ( -0.817 2.394 4.894) 5.509 15.428 ( -1.195 -2.074 3.425) 4.179 15.623 ( 0.409 -1.279 4.258) 4.465 15.703 ( 1.441 -6.901 4.144) 8.178 15.834 ( 6.966 11.458 7.778) 15.502 15.958 ( 1.679 2.122 13.207) 13.482 16.252 ( 0.982 -3.198 9.882) 10.432 16.339 ( 4.824 -7.571 -0.916) 9.024 16.525 ( 6.357 1.894 9.810) 11.842 16.653 ( 5.109 -7.092 3.166) 9.297 16.803 ( 6.521 7.485 8.520) 13.082 16.834 ( 6.990 10.267 -0.672) 12.439 17.023 ( 1.344 -15.034 2.700) 15.333 17.137 ( 5.114 -15.883 -0.457) 16.692 17.158 ( -1.738 5.421 3.988) 6.951 17.412 ( -7.023 -16.731 14.865) 23.456 17.694 ( -5.392 4.906 -10.204) 12.541 17.745 ( -3.777 -2.262 -11.633) 12.438 18.199 ( -13.587 14.536 7.804) 21.373 18.403 ( -16.970 -5.897 1.761) 18.052 18.475 ( -11.538 8.203 10.429) 17.584 18.700 ( -11.289 -11.035 13.368) 20.686 19.807 ( 4.146 17.991 -16.367) 24.673 20.036 ( 7.510 -9.705 -14.202) 18.769 20.392 ( 0.712 7.073 -10.951) 13.056 20.472 ( -4.306 -0.115 -5.000) 6.599 20.660 ( -2.917 -3.031 -3.731) 5.623 20.699 ( -5.471 -5.089 -1.813) 7.689 20.909 ( -3.067 4.961 -4.964) 7.659 20.977 ( -2.301 -2.398 -5.181) 6.156 23.581 ( -26.650 0.245 2.226) 26.744 23.592 ( -26.153 -0.966 2.626) 26.302 23.664 ( -13.606 0.721 0.597) 13.638 23.674 ( -16.935 0.034 1.573) 17.008 23.762 ( -15.249 3.269 1.593) 15.677 23.843 ( -22.213 -0.987 1.649) 22.296 23.868 ( -11.888 -1.149 0.883) 11.976 23.936 ( -15.454 -4.569 0.589) 16.126 24.385 ( 2.751 7.653 1.551) 8.279 24.458 ( 5.726 5.864 -0.530) 8.213 24.548 ( 5.620 -5.433 0.137) 7.818 24.604 ( 7.742 -4.652 -1.679) 9.187 24.860 ( -2.532 14.078 -3.944) 14.837 25.067 ( -0.382 8.731 -3.600) 9.452 25.160 ( 9.236 -0.269 0.573) 9.257 25.175 ( 5.376 1.901 -0.434) 5.718 25.184 ( 1.400 -9.655 1.569) 9.882 25.214 ( 5.922 -1.559 1.030) 6.209 25.529 ( -22.270 61.007 -29.622) 71.381 26.013 ( -5.287 15.516 6.733) 17.721 26.138 ( -2.877 -6.232 7.982) 10.528 26.678 ( -19.040 -33.017 -30.550) 48.847 26.943 ( 2.636 1.031 10.785) 11.150 26.961 ( 2.596 -0.125 10.139) 10.466 26.970 ( 2.832 0.423 10.209) 10.603 27.020 ( -0.687 -7.200 3.537) 8.051 27.726 ( -12.991 14.708 -22.831) 30.106 27.938 ( -11.951 -7.751 -23.713) 27.662 28.125 ( -8.907 7.874 -8.994) 14.907 28.297 ( -10.862 -9.323 -15.938) 21.423 28.532 ( -6.834 4.125 -16.036) 17.913 28.603 ( -9.349 -3.475 -13.425) 16.725 29.065 ( -8.254 7.654 18.892) 21.992 29.231 ( -16.413 -9.886 20.987) 28.418 29.606 ( -30.878 9.072 28.919) 43.268 29.743 ( -37.001 -5.394 32.089) 49.274 30.710 ( -23.743 21.285 23.836) 39.812 31.204 ( -25.412 -29.126 7.843) 39.441 31.870 ( -0.348 4.088 -1.537) 4.382 31.909 ( 5.989 -0.993 -1.200) 6.188 32.222 ( 11.043 3.738 -1.137) 11.714 32.262 ( 15.877 -0.971 -2.006) 16.033 32.398 ( 10.879 2.181 -2.151) 11.302 32.452 ( 21.054 -3.134 -3.941) 21.648 32.702 ( 11.137 9.012 -8.628) 16.724 32.834 ( 15.104 -3.841 -9.361) 18.180 32.895 ( 16.853 1.060 -8.319) 18.824 32.943 ( 8.103 -3.919 -7.741) 11.872 33.192 ( 4.304 0.847 2.407) 5.004 33.215 ( 3.220 -1.682 3.554) 5.082 33.284 ( 16.052 5.906 0.596) 17.114 33.339 ( 15.953 -0.942 -3.089) 16.277 33.746 ( 6.875 11.625 10.173) 16.909 33.766 ( 2.456 3.873 4.400) 6.355 33.857 ( 7.370 7.009 9.008) 13.586 34.448 ( 15.186 -42.313 5.083) 45.242 ======================= Grid point 38 (18/40) ======================= q-point: ( 0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 24.226 11.038 20.825) 33.800 2.188 ( 29.546 19.173 16.183) 38.762 2.301 ( 13.367 -4.635 16.481) 21.721 2.623 ( 13.971 -4.421 19.380) 24.296 2.637 ( 19.595 -20.521 16.985) 33.069 2.720 ( 12.957 -9.867 21.874) 27.271 3.119 ( 27.891 13.510 20.546) 37.183 3.272 ( 17.424 2.589 13.969) 22.481 3.416 ( 21.342 2.107 8.909) 23.223 3.474 ( 17.495 0.061 4.855) 18.156 3.582 ( 18.966 0.183 7.322) 20.331 3.750 ( 15.040 -8.022 5.619) 17.948 3.863 ( 15.606 5.942 -3.410) 17.043 3.967 ( 8.875 -4.123 -2.909) 10.210 4.074 ( 2.389 1.068 0.471) 2.659 4.145 ( 11.966 -7.500 3.305) 14.504 4.238 ( 12.338 2.935 5.440) 13.800 4.315 ( 17.433 -4.043 6.778) 19.137 4.632 ( 18.549 4.402 -8.911) 21.044 4.676 ( 6.794 2.869 -6.762) 10.005 4.809 ( 49.031 5.967 -1.676) 49.421 4.850 ( 8.079 6.813 1.550) 10.681 4.914 ( 43.150 -4.974 -0.174) 43.436 5.012 ( 21.194 -7.938 0.047) 22.631 5.048 ( 18.420 0.741 3.535) 18.771 5.074 ( 27.570 -3.407 0.385) 27.782 5.289 ( 11.589 4.343 -2.670) 12.661 5.328 ( 16.760 7.658 -7.450) 19.875 5.358 ( 14.278 -2.932 -2.440) 14.778 5.461 ( 22.886 -3.534 -0.751) 23.170 5.472 ( 12.460 -2.891 1.209) 12.848 5.540 ( 14.801 -6.604 0.447) 16.214 5.753 ( 27.124 4.703 -3.224) 27.717 5.860 ( 30.433 -5.724 -2.075) 31.036 6.070 ( -7.713 6.856 -7.958) 13.032 6.117 ( 15.036 3.293 -7.296) 17.034 6.216 ( 19.106 -2.260 2.531) 19.405 6.244 ( 12.206 -3.665 -2.128) 12.921 6.399 ( 9.397 5.689 0.929) 11.025 6.449 ( -3.296 0.717 8.013) 8.694 6.571 ( -4.423 -4.003 5.424) 8.063 6.589 ( -2.455 -2.892 4.555) 5.928 6.681 ( -11.175 2.600 7.340) 13.621 6.755 ( -2.231 -2.511 9.052) 9.655 6.937 ( -12.554 6.959 9.367) 17.140 7.003 ( -9.972 1.922 4.103) 10.953 7.119 ( -1.459 3.316 0.087) 3.623 7.126 ( -6.314 5.754 -0.041) 8.542 7.186 ( -5.110 -6.541 -0.903) 8.349 7.324 ( 1.057 -6.300 -4.278) 7.688 7.357 ( 12.322 2.117 -4.209) 13.192 7.416 ( 2.114 -3.338 -4.194) 5.762 7.441 ( 5.846 -2.253 -0.110) 6.266 7.477 ( -0.550 -2.519 -1.659) 3.066 7.630 ( -0.957 4.724 0.896) 4.902 7.726 ( 4.836 -1.406 0.294) 5.045 7.773 ( -7.174 -3.455 -5.128) 9.471 7.789 ( -8.451 -2.543 -5.249) 10.269 7.936 ( 2.024 -0.498 3.303) 3.905 7.970 ( 1.542 -2.590 4.814) 5.680 8.094 ( -6.116 0.990 -3.487) 7.110 8.102 ( -3.953 0.120 -4.189) 5.761 8.240 ( -3.034 13.139 -7.313) 15.340 8.351 ( 0.615 7.478 2.963) 8.067 8.444 ( -3.667 -6.989 -9.351) 12.237 8.506 ( 1.835 -4.894 -0.366) 5.239 8.635 ( -3.260 5.400 0.135) 6.310 8.724 ( -5.523 7.008 4.809) 10.136 8.758 ( -4.363 -8.137 -5.534) 10.764 8.866 ( -8.499 -5.044 -6.165) 11.648 9.025 ( 2.236 3.541 -11.265) 12.019 9.092 ( -1.640 1.218 -2.337) 3.104 9.162 ( -3.998 -1.249 -5.296) 6.752 9.238 ( -0.991 -5.722 -3.650) 6.859 9.398 ( -1.239 8.816 -4.961) 10.192 9.491 ( -2.607 1.769 -7.539) 8.171 9.548 ( -4.452 1.215 -4.767) 6.635 9.623 ( -4.371 -8.373 -2.766) 9.842 9.716 ( -8.555 5.458 -2.324) 10.410 9.766 ( -6.684 5.767 -1.235) 8.914 9.819 ( -7.476 -4.754 -2.215) 9.132 9.899 ( -4.119 -1.514 -0.772) 4.455 9.915 ( -9.406 -1.921 0.701) 9.626 10.016 ( -6.099 -7.212 -1.658) 9.590 10.131 ( -6.303 7.201 2.215) 9.823 10.204 ( -4.173 2.750 4.024) 6.416 10.239 ( 0.508 -1.382 4.540) 4.773 10.339 ( -1.584 -6.888 1.400) 7.205 10.494 ( -3.664 4.786 -0.805) 6.081 10.596 ( -3.963 -2.487 3.129) 5.629 10.701 ( -0.900 8.607 2.999) 9.159 10.836 ( 1.132 2.692 1.449) 3.260 10.893 ( -1.269 -5.629 0.453) 5.788 10.919 ( -1.282 -5.424 2.128) 5.966 11.093 ( -4.627 4.136 0.860) 6.265 11.101 ( -3.438 2.385 1.535) 4.457 11.184 ( -5.592 -6.783 -3.764) 9.563 11.215 ( 2.352 -4.523 2.841) 5.836 11.296 ( -1.137 1.246 1.975) 2.597 11.327 ( 0.886 -1.514 1.324) 2.197 11.505 ( 6.227 8.979 -5.578) 12.269 11.584 ( -2.447 0.194 -6.857) 7.283 11.603 ( -6.878 -0.396 -3.606) 7.776 11.647 ( -4.597 -0.201 -1.706) 4.907 11.776 ( -1.184 1.762 4.291) 4.787 11.825 ( 4.699 -5.567 1.681) 7.476 12.118 ( 13.806 0.642 -1.537) 13.906 12.157 ( 12.957 -2.285 -3.688) 13.664 12.280 ( 7.419 9.519 -2.838) 12.398 12.406 ( 1.729 5.563 3.044) 6.573 12.467 ( 8.013 -7.271 -1.355) 10.905 12.570 ( 3.498 -4.671 1.763) 6.096 12.744 ( 0.575 6.913 -0.842) 6.988 12.893 ( -1.082 -4.294 -1.061) 4.554 12.962 ( 5.456 2.219 -1.007) 5.976 13.062 ( 16.218 -5.386 -7.080) 18.497 13.621 ( 1.082 4.085 -7.725) 8.805 13.687 ( -2.820 -1.836 -5.283) 6.263 13.975 ( 6.049 4.042 -9.196) 11.726 14.047 ( 5.171 -3.154 -13.342) 14.652 14.143 ( 4.743 1.966 -0.118) 5.136 14.220 ( 6.207 -5.475 -0.469) 8.290 14.334 ( 12.062 2.471 -3.986) 12.941 14.378 ( 13.848 -1.981 -7.652) 15.944 14.562 ( 8.167 -0.693 5.326) 9.774 14.577 ( 11.133 -1.701 2.152) 11.466 14.909 ( -10.564 3.288 -0.908) 11.101 14.914 ( -9.587 2.156 -1.401) 9.926 15.240 ( 12.388 10.625 4.707) 16.986 15.306 ( 1.178 4.536 0.189) 4.691 15.375 ( -3.470 -0.120 -1.022) 3.619 15.613 ( 0.508 3.403 4.337) 5.536 15.661 ( 8.398 -18.507 -0.628) 20.333 15.774 ( 6.757 -12.232 6.302) 15.329 16.018 ( 7.520 8.743 9.480) 14.929 16.138 ( 15.638 0.984 15.600) 22.110 16.338 ( 7.662 2.538 4.336) 9.162 16.442 ( 3.810 1.853 -2.791) 5.074 16.653 ( 4.712 1.494 5.636) 7.497 16.797 ( 8.413 0.270 4.475) 9.533 16.990 ( 7.009 1.758 5.514) 9.090 17.012 ( 0.944 10.892 -10.290) 15.014 17.034 ( 7.295 -4.455 5.959) 10.419 17.086 ( 1.373 -5.824 8.043) 10.025 17.230 ( -7.909 -10.861 6.427) 14.894 17.306 ( 5.232 -15.937 -9.045) 19.057 17.563 ( -7.756 0.378 3.584) 8.552 17.617 ( -7.016 -5.696 -2.791) 9.458 17.903 ( -11.417 6.083 -2.521) 13.180 17.998 ( -17.627 -3.339 -3.669) 18.311 18.204 ( -12.714 10.740 10.263) 19.553 18.400 ( -16.155 -7.052 8.023) 19.367 20.010 ( 15.714 14.098 -10.399) 23.534 20.222 ( 6.824 -8.221 -13.389) 17.130 20.370 ( -1.211 0.163 -9.097) 9.178 20.378 ( -3.921 -0.551 -7.664) 8.626 20.597 ( 2.526 -0.047 0.123) 2.529 20.644 ( 1.633 -4.897 -2.253) 5.632 20.956 ( 10.166 7.049 -6.433) 13.943 21.076 ( 11.456 -5.154 -6.483) 14.136 22.879 ( -38.393 1.460 6.854) 39.027 22.918 ( -36.938 -2.712 6.249) 37.560 23.108 ( -32.673 4.429 5.135) 33.369 23.188 ( -30.473 -3.974 4.371) 31.040 23.397 ( -19.491 3.135 -0.277) 19.743 23.414 ( -21.143 1.347 -1.012) 21.210 23.545 ( -19.200 -1.889 -0.344) 19.296 23.581 ( -19.723 -4.391 -0.136) 20.206 24.431 ( 1.050 8.960 1.358) 9.122 24.535 ( 1.457 6.481 -1.559) 6.824 24.637 ( 2.560 -5.592 -0.986) 6.229 24.704 ( 1.474 -0.647 -3.226) 3.606 24.781 ( -5.372 15.218 -2.982) 16.411 24.846 ( -11.431 31.691 -4.766) 34.025 25.154 ( -6.792 -10.036 -1.353) 12.193 25.319 ( 7.491 6.056 1.773) 9.794 25.347 ( 8.100 3.002 0.485) 8.652 25.353 ( 7.265 -3.615 -1.444) 8.242 25.429 ( 8.328 -1.006 1.778) 8.575 25.753 ( -17.649 -11.250 4.163) 21.339 26.083 ( -3.235 -0.638 2.146) 3.934 26.286 ( -13.471 -22.246 -9.885) 27.822 26.998 ( 2.346 1.391 8.136) 8.581 27.013 ( 1.908 2.980 5.852) 6.839 27.031 ( 1.917 -1.223 8.335) 8.640 27.060 ( 3.764 -1.397 8.178) 9.110 27.328 ( -22.419 14.281 -12.872) 29.534 27.544 ( -24.073 -8.123 -15.708) 29.870 27.892 ( -13.154 4.178 -5.502) 14.857 28.000 ( -15.906 -6.916 -8.459) 19.298 28.219 ( -20.118 3.547 -11.457) 23.422 28.264 ( -20.637 -1.355 -10.798) 23.331 29.000 ( 0.879 1.148 17.404) 17.464 29.024 ( -4.859 -1.280 23.591) 24.120 29.303 ( 2.689 1.527 17.019) 17.298 29.332 ( -3.600 -1.369 21.457) 21.800 30.296 ( -19.378 15.348 12.156) 27.547 30.687 ( -24.813 -25.455 5.643) 35.993 31.567 ( -25.007 16.770 -5.168) 30.550 31.798 ( -19.624 -8.339 -6.726) 22.358 32.512 ( 13.982 -0.057 0.697) 14.000 32.521 ( 17.239 -0.919 1.577) 17.335 32.816 ( 22.624 8.809 -5.215) 24.832 32.978 ( 15.460 1.978 -2.712) 15.820 33.005 ( 25.467 -5.707 -6.096) 26.801 33.067 ( 14.440 -3.244 -1.940) 14.926 33.200 ( 13.014 -0.418 -0.725) 13.041 33.235 ( 11.685 -4.173 0.833) 12.436 33.275 ( 7.222 0.046 4.052) 8.281 33.310 ( 7.767 -2.574 5.875) 10.073 33.641 ( 13.410 1.733 -0.120) 13.522 33.658 ( 12.737 -0.405 1.878) 12.881 33.851 ( 7.236 2.258 -1.001) 7.646 33.867 ( 9.438 -0.345 -1.697) 9.596 34.166 ( 14.979 24.787 -1.347) 28.992 34.659 ( 5.289 -24.036 -9.711) 26.458 ======================= Grid point 39 (19/40) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 20.601 2.963 5.519) 21.533 2.665 ( 20.253 -2.952 7.683) 21.862 2.799 ( 23.354 9.474 7.642) 26.336 2.963 ( 19.169 1.391 12.221) 22.776 3.009 ( 21.495 -6.852 12.955) 26.016 3.143 ( 20.709 -12.055 13.386) 27.448 3.471 ( 10.389 11.188 -0.833) 15.291 3.641 ( 16.142 -1.133 2.837) 16.428 3.690 ( 6.134 9.858 1.403) 11.695 3.854 ( 17.822 0.174 11.864) 21.410 3.941 ( 11.986 -2.643 4.260) 12.993 4.049 ( 5.637 0.963 2.065) 6.080 4.085 ( 8.300 -7.809 4.897) 12.403 4.105 ( 8.669 -3.705 6.621) 11.520 4.172 ( 7.852 4.865 5.060) 10.532 4.248 ( 3.417 0.233 3.481) 4.883 4.405 ( 3.332 -5.321 2.035) 6.600 4.440 ( -0.963 -5.336 1.951) 5.763 4.723 ( 2.009 5.758 -2.159) 6.470 4.804 ( 6.008 -0.527 -4.104) 7.295 4.911 ( 1.090 5.791 4.573) 7.459 5.065 ( -0.665 -9.138 1.865) 9.350 5.289 ( 7.233 6.491 -3.631) 10.375 5.409 ( 9.983 -4.246 -8.768) 13.948 5.459 ( 5.446 3.752 -6.199) 9.064 5.467 ( 2.552 1.193 -8.690) 9.136 5.530 ( 8.536 6.857 1.978) 11.126 5.669 ( 0.812 -1.463 2.026) 2.628 5.726 ( -0.467 -0.005 -4.671) 4.694 5.750 ( -1.602 0.772 0.895) 1.991 5.796 ( 10.739 -7.276 -2.725) 13.255 5.856 ( -13.213 -5.774 4.956) 15.247 6.081 ( -2.730 4.411 2.210) 5.639 6.155 ( 46.366 0.974 -0.500) 46.379 6.190 ( 35.197 -1.700 0.720) 35.245 6.198 ( -3.751 -8.029 4.402) 9.895 6.307 ( -13.062 0.473 12.721) 18.239 6.345 ( -8.291 -2.845 11.586) 14.528 6.589 ( 13.392 8.683 0.463) 15.968 6.609 ( -6.340 9.217 12.840) 17.030 6.670 ( 5.590 0.660 3.239) 6.495 6.743 ( 3.800 -4.915 6.616) 9.076 6.891 ( -6.298 2.078 4.698) 8.127 6.926 ( 3.830 1.986 1.079) 4.447 6.962 ( 22.273 -0.384 -1.688) 22.341 7.005 ( 31.223 -1.554 -1.775) 31.312 7.118 ( 13.480 0.207 3.252) 13.868 7.206 ( 25.664 -6.921 -0.956) 26.598 7.318 ( 11.120 3.778 -2.303) 11.968 7.344 ( 13.698 3.270 -0.663) 14.098 7.429 ( 3.155 1.568 -2.611) 4.385 7.515 ( -1.397 -0.988 0.216) 1.725 7.541 ( -2.472 -0.273 2.193) 3.316 7.620 ( 6.793 -10.995 0.791) 12.948 7.702 ( 1.727 3.928 -3.897) 5.797 7.768 ( 4.652 -2.180 -5.503) 7.529 7.798 ( 24.855 2.478 -0.960) 24.996 7.847 ( 17.653 -2.336 -1.434) 17.865 7.873 ( -5.604 4.802 -2.600) 7.825 7.975 ( 0.108 -5.172 -1.114) 5.291 8.081 ( 4.847 7.320 -1.215) 8.863 8.194 ( 7.582 -0.706 0.458) 7.629 8.308 ( 1.814 4.075 0.027) 4.460 8.388 ( 8.050 -1.911 2.888) 8.764 8.452 ( 0.476 0.683 2.475) 2.612 8.549 ( 0.381 -8.368 3.044) 8.912 8.585 ( 1.610 6.832 3.768) 7.967 8.622 ( 5.918 -1.143 1.924) 6.327 8.673 ( -4.014 -2.450 -0.749) 4.762 8.743 ( -1.070 -9.632 1.387) 9.790 8.946 ( -6.946 0.856 -2.426) 7.407 8.977 ( -5.825 -2.262 -4.951) 7.972 9.119 ( -0.564 8.664 -4.204) 9.647 9.242 ( -10.076 5.471 -6.335) 13.099 9.262 ( -3.311 -2.859 -3.547) 5.633 9.350 ( -13.783 -3.758 -4.973) 15.127 9.427 ( -6.552 2.729 -3.569) 7.944 9.443 ( -6.854 1.248 -0.582) 6.991 9.562 ( -12.691 7.829 -2.212) 15.075 9.623 ( -11.497 3.371 1.951) 12.139 9.656 ( -4.805 -1.378 -8.495) 9.857 9.747 ( -6.130 -3.980 -2.380) 7.686 9.782 ( -2.742 0.650 -1.680) 3.281 9.899 ( -4.208 -8.215 -4.370) 10.212 9.956 ( -11.506 6.408 -1.215) 13.226 10.049 ( -11.055 -1.699 3.374) 11.683 10.206 ( -4.075 3.662 -3.102) 6.296 10.294 ( -6.438 -1.646 0.854) 6.699 10.450 ( -0.493 0.030 -0.403) 0.637 10.513 ( -2.465 -5.719 0.259) 6.233 10.664 ( -0.758 3.940 4.480) 6.015 10.749 ( -10.401 -4.212 4.064) 11.935 10.861 ( 0.646 2.461 -1.845) 3.143 10.911 ( -0.932 -0.997 -1.272) 1.865 10.915 ( -3.317 4.378 -3.364) 6.441 11.061 ( -1.812 -2.114 -3.522) 4.489 11.147 ( -2.162 -3.472 0.245) 4.097 11.234 ( -0.200 -4.273 -1.123) 4.423 11.312 ( 2.126 1.701 -2.591) 3.759 11.369 ( -1.286 -2.043 -2.588) 3.540 11.443 ( -5.046 0.345 -3.825) 6.341 11.468 ( -4.344 -3.231 -1.677) 5.668 11.567 ( -1.369 1.114 -4.930) 5.236 11.604 ( -1.487 -0.514 -3.534) 3.869 11.879 ( 11.565 9.596 1.817) 15.137 12.023 ( 12.573 -5.883 -1.550) 13.967 12.371 ( 8.818 0.064 -5.016) 10.145 12.395 ( 9.515 1.628 -5.701) 11.211 12.434 ( 0.744 12.565 1.561) 12.684 12.539 ( 13.467 4.155 -1.693) 14.194 12.594 ( 1.803 2.368 1.462) 3.316 12.739 ( 12.256 -11.373 -2.811) 16.954 12.822 ( 2.139 -3.184 2.153) 4.399 12.841 ( 7.811 -5.489 5.029) 10.790 13.224 ( 13.988 8.188 -5.901) 17.249 13.353 ( 11.568 -5.358 -5.292) 13.804 13.581 ( -4.984 0.376 -4.404) 6.662 13.604 ( -3.901 -1.523 -3.818) 5.667 13.993 ( -3.253 4.315 -10.666) 11.957 14.045 ( -3.621 -0.894 -5.263) 6.450 14.151 ( -3.041 2.739 -4.005) 5.727 14.245 ( -2.370 -5.745 4.358) 7.590 14.490 ( 2.473 3.692 -0.655) 4.491 14.545 ( -13.652 3.087 3.157) 14.348 14.608 ( 7.066 -8.388 -1.565) 11.079 14.622 ( -12.009 -4.511 0.842) 12.856 14.830 ( 3.793 7.247 -10.063) 12.968 14.927 ( 13.207 -1.530 -5.604) 14.428 15.266 ( 2.545 8.009 7.735) 11.422 15.327 ( 2.887 1.159 -2.310) 3.875 15.574 ( 4.496 -1.736 -0.765) 4.880 15.624 ( 5.407 -3.207 -0.649) 6.320 15.786 ( 7.167 -2.594 2.769) 8.110 15.889 ( 3.164 -9.836 6.644) 12.284 16.098 ( -0.921 10.343 6.266) 12.128 16.326 ( 1.177 -13.241 7.572) 15.298 16.518 ( 5.400 10.162 5.555) 12.778 16.587 ( 10.653 6.161 6.789) 14.054 16.705 ( 0.936 1.645 2.838) 3.411 16.873 ( -4.411 -6.574 3.151) 8.521 16.977 ( 4.868 8.630 -5.138) 11.161 17.052 ( 1.671 2.994 11.700) 12.192 17.158 ( 3.318 3.052 0.510) 4.537 17.182 ( -3.762 -2.944 -0.114) 4.778 17.216 ( 6.937 3.070 0.445) 7.599 17.380 ( 9.590 -3.395 -3.545) 10.773 17.409 ( -5.962 -3.602 9.170) 11.516 17.545 ( -0.163 -11.309 -7.485) 13.563 17.731 ( -3.916 4.217 -1.549) 5.960 17.801 ( -4.999 -2.046 1.656) 5.650 17.980 ( -8.921 2.210 -0.335) 9.197 18.066 ( -14.249 -3.744 2.659) 14.970 20.278 ( 4.118 1.006 -3.836) 5.717 20.306 ( 6.085 -1.652 -3.313) 7.123 20.477 ( 16.827 1.904 -4.735) 17.584 20.498 ( 19.227 -0.028 -2.728) 19.420 20.834 ( 19.681 2.731 -1.709) 19.943 20.932 ( 24.157 -7.118 -6.067) 25.904 21.304 ( 21.872 6.502 -8.108) 24.215 21.421 ( 20.984 -5.298 -7.563) 22.926 22.027 ( -41.615 2.572 10.090) 42.898 22.095 ( -40.543 -4.558 9.035) 41.787 22.369 ( -37.070 7.104 7.404) 38.463 22.496 ( -34.804 -6.108 6.452) 35.920 22.859 ( -30.411 4.355 -2.727) 30.842 22.919 ( -27.731 -1.584 -3.316) 27.973 23.067 ( -26.010 0.176 -2.836) 26.164 23.110 ( -25.055 -3.710 -2.575) 25.458 24.429 ( -0.761 10.477 1.132) 10.565 24.525 ( -2.803 16.784 -2.623) 17.218 24.586 ( -4.462 17.610 0.110) 18.167 24.683 ( -1.136 0.069 -2.214) 2.489 24.711 ( -1.927 3.790 -1.186) 4.414 24.753 ( 0.485 -7.284 -1.908) 7.545 24.999 ( -7.437 -13.835 0.323) 15.710 25.239 ( -16.244 -23.633 -4.521) 29.032 25.506 ( 8.547 5.158 2.344) 10.255 25.529 ( 10.296 5.007 1.155) 11.507 25.622 ( 9.262 -2.449 2.473) 9.894 25.670 ( 11.689 -4.964 2.635) 12.970 25.989 ( -5.776 1.567 1.992) 6.308 26.089 ( -7.231 -6.581 2.634) 10.125 26.733 ( -24.631 16.641 -9.660) 31.256 26.978 ( -25.113 -9.315 -8.794) 28.192 27.058 ( 3.228 1.137 5.622) 6.582 27.086 ( 3.575 -1.747 6.317) 7.466 27.151 ( 3.454 1.350 6.283) 7.295 27.168 ( 3.524 -0.445 5.466) 6.519 27.601 ( -13.777 2.711 -2.242) 14.219 27.670 ( -15.044 -4.355 -3.742) 16.103 27.810 ( -17.845 2.453 -5.469) 18.825 27.842 ( -18.404 -1.065 -5.727) 19.304 29.007 ( 3.469 3.343 17.047) 17.715 29.086 ( 7.515 -4.649 12.008) 14.909 29.445 ( 11.257 5.301 3.645) 12.966 29.536 ( 16.479 -3.863 1.902) 17.033 29.885 ( -18.841 10.797 9.922) 23.875 30.170 ( -23.845 -19.356 4.276) 31.008 30.960 ( -30.787 17.851 -5.446) 36.002 31.224 ( -31.650 -10.178 -7.717) 34.130 32.840 ( 15.637 1.731 2.291) 15.898 32.881 ( 16.018 -2.363 2.767) 16.426 33.232 ( 16.327 6.118 -3.941) 17.876 33.274 ( 6.057 -0.077 0.598) 6.087 33.284 ( 5.056 0.054 0.000) 5.056 33.326 ( 9.392 -0.046 0.309) 9.397 33.410 ( 11.936 2.163 -2.703) 12.427 33.482 ( 11.684 -4.229 0.849) 12.455 33.542 ( 13.932 -0.321 4.811) 14.743 33.595 ( 15.569 -8.012 0.080) 17.510 33.831 ( 6.298 -0.368 4.005) 7.473 33.835 ( 5.146 -0.457 4.704) 6.987 34.093 ( 13.316 3.659 -4.234) 14.444 34.146 ( 14.917 -2.167 -3.698) 15.520 34.393 ( 6.528 17.631 -5.554) 19.604 34.699 ( -1.033 -13.388 -9.510) 16.454 ======================= Grid point 40 (20/40) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 15.822 -0.916 2.333) 16.019 3.031 ( 15.352 -3.352 4.149) 16.252 3.158 ( 5.407 2.037 2.027) 6.123 3.231 ( 4.615 -3.389 -0.508) 5.748 3.418 ( 6.468 5.218 6.954) 10.836 3.526 ( 21.793 -3.785 5.896) 22.891 3.559 ( -3.469 13.553 -0.248) 13.992 3.781 ( 2.337 -2.866 -7.235) 8.126 3.924 ( 7.074 4.874 -5.117) 9.999 3.939 ( 4.061 -3.411 -2.484) 5.856 4.097 ( -2.766 6.120 -5.040) 8.396 4.164 ( 6.296 -2.251 -0.143) 6.688 4.255 ( 1.136 2.441 2.648) 3.777 4.311 ( -6.831 -6.631 -4.958) 10.733 4.322 ( 12.098 1.005 9.975) 15.712 4.342 ( 2.918 -3.278 2.163) 4.892 4.410 ( 8.081 -7.804 2.819) 11.582 4.445 ( 10.738 -5.292 8.632) 14.759 4.692 ( -8.191 3.346 10.237) 13.530 4.767 ( -13.069 -3.930 9.234) 16.477 4.945 ( 6.429 9.945 0.059) 11.843 5.108 ( 5.865 -3.229 1.209) 6.803 5.219 ( -12.322 6.969 5.538) 15.201 5.363 ( -9.994 -4.349 4.136) 11.658 5.442 ( 2.396 5.990 -1.233) 6.569 5.530 ( -3.559 5.017 3.844) 7.254 5.603 ( 2.961 -8.222 -3.947) 9.590 5.643 ( 4.189 -4.117 6.732) 8.934 5.671 ( 1.614 2.986 0.066) 3.395 5.764 ( 3.870 -6.183 -1.074) 7.373 5.851 ( -12.760 0.879 5.754) 14.025 5.908 ( -9.120 -5.476 2.947) 11.039 6.004 ( 11.181 3.529 9.487) 15.082 6.064 ( 8.499 -3.552 4.262) 10.150 6.189 ( 4.007 3.101 6.516) 8.255 6.258 ( -5.139 -3.910 9.199) 11.239 6.409 ( -0.512 2.430 13.766) 13.988 6.450 ( -4.721 -1.547 14.976) 15.778 6.582 ( -13.760 3.877 6.196) 15.581 6.655 ( -14.362 -3.509 7.173) 16.432 6.848 ( 17.403 8.678 -0.221) 19.448 6.893 ( 18.882 4.029 -1.892) 19.400 7.023 ( 19.276 1.169 -6.117) 20.257 7.090 ( 3.477 0.070 -6.931) 7.755 7.107 ( -3.274 4.409 -7.456) 9.260 7.187 ( -1.572 -0.012 -3.297) 3.653 7.276 ( -7.731 -1.730 -3.646) 8.721 7.324 ( -6.986 -3.716 -4.834) 9.273 7.443 ( 1.792 1.905 3.065) 4.029 7.526 ( 4.557 2.249 -0.536) 5.110 7.564 ( 0.430 -0.854 1.586) 1.852 7.616 ( 6.288 -0.947 -0.381) 6.370 7.712 ( 8.022 -1.966 3.602) 9.011 7.796 ( 7.035 -6.602 -1.857) 9.824 7.839 ( -1.671 2.532 1.915) 3.587 7.916 ( 3.086 -2.247 1.869) 4.250 8.016 ( 23.764 4.484 1.102) 24.208 8.136 ( 19.963 -8.775 1.147) 21.837 8.150 ( 10.288 8.477 -1.553) 13.420 8.245 ( -1.452 0.861 -1.262) 2.108 8.263 ( 6.065 -0.061 -0.383) 6.078 8.324 ( -1.830 -5.691 -2.282) 6.399 8.485 ( 13.289 -1.142 1.161) 13.389 8.509 ( 4.312 -0.688 1.481) 4.611 8.531 ( 0.174 -4.803 -1.774) 5.123 8.570 ( 3.593 -1.985 0.474) 4.132 8.656 ( 18.521 -0.257 2.746) 18.725 8.694 ( 17.239 -0.490 -4.232) 17.757 8.852 ( -9.347 -1.454 -0.368) 9.467 8.871 ( -2.435 -4.650 0.759) 5.304 8.942 ( 11.571 1.426 -0.524) 11.671 8.957 ( 8.755 0.816 -2.314) 9.093 9.022 ( -1.467 6.477 -2.281) 7.022 9.042 ( -8.286 1.789 -4.292) 9.502 9.110 ( 0.479 1.663 -0.928) 1.963 9.147 ( -5.300 -0.484 -2.265) 5.784 9.229 ( -14.134 4.590 -2.611) 15.088 9.260 ( -11.951 4.641 1.238) 12.880 9.367 ( 2.663 -0.049 -1.352) 2.986 9.395 ( -10.168 -1.098 0.633) 10.246 9.453 ( -3.901 5.351 2.923) 7.238 9.584 ( -14.084 -7.457 -2.720) 16.167 9.618 ( -15.445 5.918 1.046) 16.573 9.706 ( -19.162 -2.328 4.596) 19.843 9.872 ( 7.223 2.709 -2.567) 8.130 9.929 ( 6.204 -2.280 -8.707) 10.932 10.061 ( -8.829 3.261 -3.870) 10.177 10.109 ( -9.648 -0.352 -2.663) 10.015 10.485 ( 4.372 -1.592 0.463) 4.676 10.502 ( 1.293 -3.698 -0.485) 3.947 10.576 ( -5.564 -1.152 1.809) 5.963 10.611 ( -5.733 -4.775 3.135) 8.094 10.853 ( 1.746 8.116 -2.894) 8.791 10.887 ( -0.545 4.734 -2.610) 5.433 10.977 ( 4.158 -4.250 -3.873) 7.096 11.041 ( -1.107 -9.210 -4.441) 10.285 11.106 ( 0.358 6.198 -2.297) 6.619 11.199 ( -5.922 3.825 -4.066) 8.139 11.251 ( -1.257 -5.092 -1.794) 5.543 11.302 ( -4.525 -4.450 -3.601) 7.297 11.401 ( 3.347 4.495 -3.380) 6.545 11.484 ( -3.330 3.560 -3.691) 6.114 11.538 ( 3.000 -9.499 -3.837) 10.675 11.587 ( -1.048 -6.544 -5.622) 8.691 12.173 ( 14.814 10.026 -0.026) 17.888 12.279 ( 9.867 1.627 -1.566) 10.122 12.401 ( -3.710 8.754 -0.092) 9.508 12.443 ( -4.249 4.501 0.916) 6.257 12.564 ( 6.778 2.030 -4.985) 8.655 12.626 ( 2.376 -3.243 -5.511) 6.822 12.706 ( 1.377 -2.111 -4.242) 4.934 12.741 ( -2.898 -5.127 -2.438) 6.374 13.099 ( 15.123 -0.938 3.846) 15.633 13.140 ( 16.719 -5.421 -0.131) 17.577 13.367 ( -8.038 1.381 -3.421) 8.844 13.414 ( -7.822 -3.874 -4.788) 9.955 13.580 ( 10.602 4.252 -3.915) 12.075 13.650 ( 11.265 -2.906 -2.439) 11.887 13.827 ( -11.172 4.422 -7.037) 13.924 13.907 ( -11.289 -3.934 -7.054) 13.881 14.094 ( 1.611 6.564 3.776) 7.742 14.187 ( -2.459 -0.121 3.638) 4.393 14.277 ( -7.043 -1.351 4.835) 8.649 14.355 ( -10.405 -6.507 2.344) 12.494 14.598 ( 6.004 8.494 -0.699) 10.426 14.747 ( -7.436 11.069 -5.676) 14.493 14.800 ( 9.161 -12.549 -3.853) 16.008 14.973 ( -6.136 -11.883 -8.011) 15.590 15.384 ( 7.952 12.213 7.359) 16.326 15.499 ( 2.784 3.575 0.918) 4.623 15.571 ( 2.016 1.035 0.203) 2.275 15.665 ( -2.687 -5.686 1.283) 6.418 15.908 ( 2.563 2.424 2.520) 4.335 15.951 ( 0.728 5.033 2.425) 5.634 16.100 ( 5.597 -7.115 -6.978) 11.430 16.252 ( -6.718 -13.402 -3.300) 15.351 16.627 ( 3.751 7.661 6.433) 10.684 16.666 ( -0.149 5.243 7.407) 9.076 16.774 ( 3.351 -4.679 1.728) 6.009 16.809 ( -1.076 -6.059 0.125) 6.155 17.054 ( 2.394 5.262 8.012) 9.880 17.114 ( -0.290 5.708 6.637) 8.759 17.134 ( 3.255 1.776 6.004) 7.056 17.212 ( -1.218 -0.299 6.076) 6.204 17.327 ( 3.331 6.567 -2.553) 7.793 17.352 ( 1.389 5.170 -3.056) 6.164 17.545 ( 0.609 -9.178 -7.810) 12.067 17.572 ( 2.080 -6.400 -7.112) 9.791 17.695 ( -0.953 1.666 4.246) 4.660 17.720 ( 0.167 2.751 6.004) 6.606 17.783 ( -4.721 1.310 0.769) 4.960 17.879 ( -6.624 -6.685 -3.029) 9.887 20.540 ( 22.260 2.739 4.029) 22.787 20.609 ( 23.664 -4.432 3.804) 24.374 20.903 ( 27.547 8.200 3.966) 29.014 21.072 ( 29.467 -9.640 2.562) 31.110 21.179 ( -36.496 3.153 9.120) 37.750 21.264 ( -35.590 -5.806 8.386) 37.023 21.404 ( 29.596 7.922 -4.567) 30.976 21.542 ( 30.058 -6.665 -6.619) 31.491 21.597 ( -32.182 8.637 7.127) 34.075 21.764 ( -32.279 -8.253 5.875) 33.832 21.847 ( 27.390 4.532 -7.352) 28.719 21.938 ( 27.058 -4.399 -7.356) 28.383 22.159 ( -35.027 6.085 -4.062) 35.783 22.264 ( -33.535 -4.806 -5.116) 34.262 22.474 ( -29.896 2.828 -5.527) 30.534 22.541 ( -28.759 -3.653 -5.504) 29.508 24.419 ( 0.154 13.995 0.971) 14.029 24.448 ( -2.835 20.249 0.238) 20.448 24.563 ( 0.868 6.405 -0.895) 6.525 24.609 ( -3.396 8.413 -1.618) 9.216 24.751 ( 3.734 -11.264 -1.075) 11.916 24.793 ( 3.766 -11.434 -1.754) 12.165 24.855 ( -5.903 -12.196 -0.385) 13.555 24.945 ( -10.751 -19.186 -1.984) 22.082 25.679 ( 8.165 4.940 2.503) 9.866 25.753 ( 9.533 0.424 2.596) 9.889 25.844 ( -3.287 2.452 1.916) 4.526 25.858 ( 8.642 5.966 0.684) 10.523 25.937 ( -3.585 -2.944 3.761) 5.972 26.004 ( 16.553 -5.869 0.232) 17.564 26.244 ( -21.045 12.718 -3.381) 24.821 26.446 ( -23.820 -7.989 -3.717) 25.397 27.158 ( 6.516 1.573 2.832) 7.276 27.195 ( 7.010 -2.263 2.790) 7.877 27.271 ( 7.456 1.534 1.944) 7.856 27.293 ( 7.755 -0.795 1.598) 7.958 27.342 ( -10.263 1.976 0.501) 10.464 27.390 ( -11.257 -3.022 -0.411) 11.663 27.488 ( -12.780 1.790 -1.678) 13.014 27.512 ( -13.007 -0.820 -2.009) 13.187 29.162 ( 11.021 6.120 10.150) 16.184 29.314 ( 13.945 -9.469 5.949) 17.875 29.452 ( -14.819 8.296 5.188) 17.757 29.673 ( -18.324 -14.720 1.676) 23.564 29.837 ( 19.028 9.908 1.460) 21.503 29.994 ( 22.291 -6.339 -1.286) 23.210 30.339 ( -27.540 14.663 -3.844) 31.436 30.562 ( -30.288 -8.773 -6.060) 32.110 33.121 ( 10.567 1.746 2.753) 11.058 33.160 ( 10.125 -2.108 3.117) 10.802 33.271 ( -3.683 1.125 2.564) 4.626 33.297 ( -2.881 -1.386 2.761) 4.224 33.492 ( 7.911 4.013 -2.720) 9.278 33.544 ( 6.318 0.576 -0.841) 6.400 33.559 ( 3.425 1.443 -2.382) 4.414 33.619 ( 1.339 -2.820 -1.004) 3.279 33.793 ( 8.695 0.740 4.527) 9.831 33.849 ( 7.721 -5.449 0.384) 9.458 33.888 ( -0.541 0.347 4.400) 4.447 33.915 ( 1.062 -2.947 2.721) 4.149 34.332 ( 8.761 5.991 -4.213) 11.419 34.428 ( 9.056 -0.788 -5.108) 10.427 34.447 ( 0.989 7.179 -4.729) 8.653 34.622 ( -6.386 -7.563 -6.939) 12.089 ======================= Grid point 54 (21/40) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.000 0.000 22.101) 22.101 1.621 ( 0.000 0.000 42.198) 42.198 1.834 ( 0.000 0.000 -3.399) 3.399 2.214 ( 0.000 0.000 10.151) 10.151 2.435 ( 0.000 0.000 0.363) 0.363 2.491 ( 0.000 0.000 17.299) 17.299 2.793 ( 0.000 0.000 -4.551) 4.551 2.889 ( 0.000 0.000 12.139) 12.139 2.919 ( 0.000 0.000 30.422) 30.422 2.982 ( 0.000 0.000 12.985) 12.985 3.167 ( 0.000 0.000 2.859) 2.859 3.178 ( 0.000 0.000 22.543) 22.543 3.306 ( 0.000 0.000 24.346) 24.346 3.380 ( 0.000 0.000 5.845) 5.845 3.506 ( 0.000 0.000 16.487) 16.487 3.591 ( 0.000 0.000 8.435) 8.435 3.654 ( 0.000 0.000 -9.780) 9.780 3.678 ( 0.000 0.000 17.197) 17.197 3.990 ( 0.000 0.000 4.679) 4.679 4.210 ( 0.000 0.000 4.054) 4.054 4.290 ( 0.000 0.000 10.874) 10.874 4.313 ( 0.000 0.000 9.167) 9.167 4.433 ( 0.000 0.000 3.331) 3.331 4.456 ( 0.000 0.000 -8.168) 8.168 4.695 ( 0.000 0.000 12.298) 12.298 4.722 ( 0.000 0.000 -2.376) 2.376 4.784 ( 0.000 0.000 -1.265) 1.265 4.964 ( 0.000 0.000 2.221) 2.221 5.037 ( 0.000 0.000 -3.904) 3.904 5.156 ( 0.000 0.000 5.363) 5.363 5.405 ( 0.000 0.000 0.824) 0.824 5.405 ( 0.000 0.000 14.339) 14.339 5.412 ( 0.000 0.000 0.776) 0.776 5.628 ( 0.000 0.000 0.607) 0.607 5.681 ( 0.000 0.000 -0.721) 0.721 5.733 ( 0.000 0.000 1.078) 1.078 6.007 ( 0.000 0.000 -18.439) 18.439 6.054 ( 0.000 0.000 -15.447) 15.447 6.182 ( 0.000 0.000 2.982) 2.982 6.382 ( 0.000 0.000 -5.440) 5.440 6.526 ( 0.000 0.000 0.284) 0.284 6.725 ( 0.000 0.000 -12.922) 12.922 6.759 ( 0.000 0.000 -18.246) 18.246 6.963 ( 0.000 0.000 4.968) 4.968 7.006 ( 0.000 0.000 -21.027) 21.027 7.050 ( 0.000 0.000 -3.931) 3.931 7.086 ( 0.000 0.000 -7.162) 7.162 7.180 ( 0.000 0.000 -4.699) 4.699 7.214 ( 0.000 0.000 11.230) 11.230 7.376 ( 0.000 0.000 11.759) 11.759 7.434 ( 0.000 0.000 2.298) 2.298 7.468 ( 0.000 0.000 3.649) 3.649 7.581 ( 0.000 0.000 2.357) 2.357 7.611 ( 0.000 0.000 4.663) 4.663 7.674 ( 0.000 0.000 -0.306) 0.306 7.689 ( 0.000 0.000 2.244) 2.244 7.763 ( 0.000 0.000 5.158) 5.158 7.768 ( 0.000 0.000 -8.349) 8.349 7.976 ( 0.000 0.000 -2.546) 2.546 8.116 ( 0.000 0.000 -7.541) 7.541 8.154 ( 0.000 0.000 -10.244) 10.244 8.159 ( 0.000 0.000 -4.090) 4.090 8.171 ( 0.000 0.000 -14.250) 14.250 8.419 ( 0.000 0.000 -20.672) 20.672 8.479 ( 0.000 0.000 11.053) 11.053 8.498 ( 0.000 0.000 -14.949) 14.949 8.546 ( 0.000 0.000 -6.885) 6.885 8.584 ( 0.000 0.000 3.495) 3.495 8.648 ( 0.000 0.000 -18.654) 18.654 8.717 ( 0.000 0.000 -3.914) 3.914 8.765 ( 0.000 0.000 -1.582) 1.582 8.896 ( 0.000 0.000 -13.727) 13.727 8.916 ( 0.000 0.000 -6.137) 6.137 9.100 ( 0.000 0.000 8.926) 8.926 9.219 ( 0.000 0.000 -11.505) 11.505 9.418 ( 0.000 0.000 -16.484) 16.484 9.555 ( 0.000 0.000 1.754) 1.754 9.573 ( 0.000 0.000 -1.358) 1.358 9.727 ( 0.000 0.000 -7.516) 7.516 9.736 ( 0.000 0.000 -5.412) 5.412 10.019 ( 0.000 0.000 7.413) 7.413 10.219 ( 0.000 0.000 14.235) 14.235 10.253 ( 0.000 0.000 11.491) 11.491 10.381 ( 0.000 0.000 -8.231) 8.231 10.386 ( 0.000 0.000 5.591) 5.591 10.500 ( 0.000 0.000 6.163) 6.163 10.551 ( 0.000 0.000 5.273) 5.273 10.569 ( 0.000 0.000 -2.995) 2.995 10.639 ( 0.000 0.000 11.190) 11.190 10.710 ( 0.000 0.000 7.863) 7.863 10.754 ( 0.000 0.000 12.117) 12.117 10.860 ( 0.000 0.000 2.134) 2.134 10.869 ( 0.000 0.000 2.624) 2.624 10.959 ( 0.000 0.000 1.282) 1.282 11.010 ( 0.000 0.000 0.281) 0.281 11.125 ( 0.000 0.000 2.023) 2.023 11.209 ( 0.000 0.000 -0.546) 0.546 11.366 ( 0.000 0.000 1.905) 1.905 11.376 ( 0.000 0.000 5.688) 5.688 11.399 ( 0.000 0.000 -15.070) 15.070 11.571 ( 0.000 0.000 -10.386) 10.386 11.587 ( 0.000 0.000 9.326) 9.326 11.620 ( 0.000 0.000 -6.295) 6.295 11.622 ( 0.000 0.000 -2.819) 2.819 11.767 ( 0.000 0.000 -2.906) 2.906 11.911 ( 0.000 0.000 -7.821) 7.821 11.916 ( 0.000 0.000 0.146) 0.146 11.933 ( 0.000 0.000 4.235) 4.235 12.022 ( 0.000 0.000 14.142) 14.142 12.109 ( 0.000 0.000 -14.617) 14.617 12.204 ( 0.000 0.000 -12.336) 12.336 12.591 ( 0.000 0.000 -12.850) 12.850 12.746 ( 0.000 0.000 -1.381) 1.381 12.754 ( 0.000 0.000 0.017) 0.017 12.824 ( 0.000 0.000 15.562) 15.562 13.173 ( 0.000 0.000 -3.836) 3.836 13.236 ( 0.000 0.000 2.135) 2.135 13.285 ( 0.000 0.000 -0.054) 0.054 13.442 ( 0.000 0.000 -6.527) 6.527 13.491 ( 0.000 0.000 -7.240) 7.240 13.958 ( 0.000 0.000 -4.755) 4.755 14.012 ( 0.000 0.000 -4.394) 4.394 14.126 ( 0.000 0.000 4.460) 4.460 14.140 ( 0.000 0.000 7.809) 7.809 14.190 ( 0.000 0.000 1.003) 1.003 14.419 ( 0.000 0.000 -5.398) 5.398 14.577 ( 0.000 0.000 4.059) 4.059 14.645 ( 0.000 0.000 1.744) 1.744 15.357 ( 0.000 0.000 1.945) 1.945 15.359 ( 0.000 0.000 3.237) 3.237 15.423 ( 0.000 0.000 -1.887) 1.887 15.440 ( 0.000 0.000 -0.746) 0.746 15.777 ( 0.000 0.000 9.352) 9.352 15.988 ( 0.000 0.000 25.794) 25.794 16.066 ( 0.000 0.000 9.955) 9.955 16.086 ( 0.000 0.000 15.572) 15.572 16.208 ( 0.000 0.000 -9.325) 9.325 16.360 ( 0.000 0.000 -6.178) 6.178 16.495 ( 0.000 0.000 -6.037) 6.037 16.635 ( 0.000 0.000 5.467) 5.467 16.966 ( 0.000 0.000 9.849) 9.849 17.016 ( 0.000 0.000 1.172) 1.172 17.053 ( 0.000 0.000 -3.863) 3.863 17.104 ( 0.000 0.000 -29.796) 29.796 17.136 ( 0.000 0.000 19.651) 19.651 17.424 ( 0.000 0.000 12.070) 12.070 17.453 ( 0.000 0.000 -2.164) 2.164 18.356 ( 0.000 0.000 -26.357) 26.357 18.418 ( 0.000 0.000 10.301) 10.301 18.634 ( 0.000 0.000 2.656) 2.656 18.727 ( 0.000 0.000 6.679) 6.679 18.758 ( 0.000 0.000 3.311) 3.311 19.736 ( 0.000 0.000 23.297) 23.297 19.849 ( 0.000 0.000 -11.097) 11.097 19.947 ( 0.000 0.000 -15.072) 15.072 20.429 ( 0.000 0.000 -7.501) 7.501 20.674 ( 0.000 0.000 -8.051) 8.051 20.689 ( 0.000 0.000 -5.339) 5.339 20.835 ( 0.000 0.000 0.343) 0.343 20.956 ( 0.000 0.000 -5.261) 5.261 23.807 ( 0.000 0.000 1.642) 1.642 23.877 ( 0.000 0.000 -1.522) 1.522 23.886 ( 0.000 0.000 2.185) 2.185 23.950 ( 0.000 0.000 3.290) 3.290 23.955 ( 0.000 0.000 -1.074) 1.074 24.062 ( 0.000 0.000 -2.045) 2.045 24.072 ( 0.000 0.000 1.832) 1.832 24.134 ( 0.000 0.000 -0.728) 0.728 24.271 ( 0.000 0.000 4.813) 4.813 24.406 ( 0.000 0.000 2.384) 2.384 24.421 ( 0.000 0.000 0.813) 0.813 24.437 ( 0.000 0.000 0.153) 0.153 24.469 ( 0.000 0.000 -2.836) 2.836 24.578 ( 0.000 0.000 -8.559) 8.559 25.026 ( 0.000 0.000 3.202) 3.202 25.087 ( 0.000 0.000 1.474) 1.474 25.108 ( 0.000 0.000 0.569) 0.569 25.122 ( 0.000 0.000 -0.966) 0.966 25.743 ( 0.000 0.000 17.904) 17.904 26.056 ( 0.000 0.000 15.893) 15.893 26.600 ( 0.000 0.000 22.486) 22.486 26.778 ( 0.000 0.000 -33.141) 33.141 26.994 ( 0.000 0.000 -24.894) 24.894 27.192 ( 0.000 0.000 15.427) 15.427 27.200 ( 0.000 0.000 14.629) 14.629 27.203 ( 0.000 0.000 14.858) 14.858 27.214 ( 0.000 0.000 8.729) 8.729 27.604 ( 0.000 0.000 -26.909) 26.909 28.036 ( 0.000 0.000 -4.298) 4.298 28.180 ( 0.000 0.000 -17.485) 17.485 28.188 ( 0.000 0.000 -17.683) 17.683 28.446 ( 0.000 0.000 -21.752) 21.752 29.433 ( 0.000 0.000 19.738) 19.738 30.058 ( 0.000 0.000 10.845) 10.845 30.062 ( 0.000 0.000 10.518) 10.518 30.084 ( 0.000 0.000 -14.300) 14.300 31.774 ( 0.000 0.000 0.724) 0.724 31.790 ( 0.000 0.000 0.063) 0.063 31.792 ( 0.000 0.000 0.041) 0.041 31.798 ( 0.000 0.000 0.054) 0.054 31.979 ( 0.000 0.000 17.119) 17.119 32.104 ( 0.000 0.000 -5.665) 5.665 32.150 ( 0.000 0.000 -7.559) 7.559 32.281 ( 0.000 0.000 0.187) 0.187 32.292 ( 0.000 0.000 -0.188) 0.188 32.298 ( 0.000 0.000 -0.232) 0.232 32.302 ( 0.000 0.000 -0.794) 0.794 32.684 ( 0.000 0.000 -17.657) 17.657 33.177 ( 0.000 0.000 3.057) 3.057 33.235 ( 0.000 0.000 -0.015) 0.015 33.236 ( 0.000 0.000 3.124) 3.124 33.241 ( 0.000 0.000 5.564) 5.564 33.720 ( 0.000 0.000 7.582) 7.582 33.773 ( 0.000 0.000 2.655) 2.655 34.123 ( 0.000 0.000 15.529) 15.529 34.773 ( 0.000 0.000 -16.001) 16.001 ======================= Grid point 55 (22/40) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 19.815 0.000 36.380) 41.427 2.328 ( 51.117 0.000 25.934) 57.320 2.578 ( 7.652 0.000 18.931) 20.419 2.582 ( 50.915 0.000 5.294) 51.189 2.806 ( 20.765 0.000 24.018) 31.750 2.900 ( 33.592 0.000 7.432) 34.405 2.916 ( 24.697 0.000 21.873) 32.991 3.040 ( 13.984 0.000 12.844) 18.987 3.041 ( 15.417 0.000 8.498) 17.604 3.298 ( 18.212 0.000 8.347) 20.034 3.307 ( 15.782 0.000 -14.621) 21.513 3.451 ( 8.053 0.000 24.751) 26.028 3.466 ( -6.219 0.000 5.924) 8.589 3.499 ( 23.872 0.000 9.936) 25.857 3.669 ( 24.592 0.000 2.591) 24.729 3.832 ( 42.829 0.000 3.030) 42.936 3.854 ( 13.177 0.000 -6.950) 14.898 3.898 ( 23.863 0.000 15.779) 28.607 4.094 ( 11.102 0.000 6.288) 12.759 4.312 ( -0.704 0.000 9.394) 9.421 4.374 ( 14.376 0.000 4.431) 15.043 4.478 ( 11.117 0.000 0.480) 11.127 4.497 ( 16.430 0.000 7.835) 18.202 4.533 ( 8.246 0.000 -11.498) 14.149 4.708 ( -2.496 0.000 -6.227) 6.708 4.842 ( 13.213 0.000 -4.009) 13.808 4.950 ( 14.323 0.000 2.824) 14.598 5.006 ( 1.338 0.000 2.385) 2.735 5.099 ( 9.893 0.000 0.669) 9.916 5.204 ( 5.068 0.000 -1.917) 5.418 5.348 ( 0.698 0.000 0.172) 0.719 5.424 ( 2.885 0.000 4.598) 5.428 5.501 ( 6.611 0.000 14.333) 15.784 5.670 ( 1.911 0.000 1.383) 2.359 5.781 ( 2.974 0.000 0.194) 2.980 5.783 ( 11.417 0.000 -2.636) 11.717 6.021 ( -2.353 0.000 -12.354) 12.576 6.052 ( 6.263 0.000 -13.599) 14.972 6.202 ( 2.383 0.000 5.166) 5.689 6.412 ( 3.936 0.000 -3.446) 5.231 6.572 ( 6.078 0.000 1.975) 6.391 6.771 ( 3.881 0.000 -13.673) 14.213 6.812 ( 3.691 0.000 -11.685) 12.254 6.915 ( -4.241 0.000 3.860) 5.734 7.007 ( -4.227 0.000 -8.645) 9.623 7.086 ( 5.609 0.000 -7.493) 9.359 7.098 ( 3.270 0.000 -4.119) 5.259 7.117 ( -8.504 0.000 7.085) 11.068 7.229 ( -0.358 0.000 -7.786) 7.794 7.336 ( -5.269 0.000 7.364) 9.055 7.365 ( -3.393 0.000 5.813) 6.730 7.433 ( 0.346 0.000 2.674) 2.696 7.558 ( -6.432 0.000 2.559) 6.922 7.587 ( -7.309 0.000 2.764) 7.814 7.626 ( -1.440 0.000 3.670) 3.943 7.696 ( 2.099 0.000 3.320) 3.927 7.780 ( 7.864 0.000 2.016) 8.118 7.839 ( -2.043 0.000 -6.548) 6.859 7.969 ( 0.661 0.000 -3.946) 4.001 8.040 ( -2.274 0.000 -7.453) 7.793 8.111 ( -1.495 0.000 3.689) 3.980 8.159 ( -2.923 0.000 -5.107) 5.884 8.165 ( -1.226 0.000 -9.266) 9.346 8.274 ( -13.968 0.000 -1.212) 14.021 8.291 ( -13.120 0.000 -2.789) 13.413 8.437 ( -4.555 0.000 -13.777) 14.510 8.458 ( 2.154 0.000 -19.590) 19.708 8.636 ( 4.146 0.000 -2.481) 4.832 8.701 ( 4.204 0.000 3.321) 5.357 8.757 ( 4.749 0.000 -13.307) 14.129 8.867 ( 8.019 0.000 2.468) 8.390 8.911 ( 6.786 0.000 -11.596) 13.436 9.140 ( -1.390 0.000 9.702) 9.801 9.192 ( 7.158 0.000 -17.039) 18.481 9.208 ( 0.937 0.000 -10.002) 10.046 9.444 ( -8.095 0.000 1.245) 8.190 9.488 ( -0.807 0.000 -11.259) 11.288 9.551 ( 4.735 0.000 -0.634) 4.778 9.679 ( -5.072 0.000 -6.163) 7.982 9.755 ( 2.170 0.000 -8.226) 8.507 9.925 ( -8.182 0.000 4.388) 9.284 10.150 ( -15.276 0.000 -3.937) 15.775 10.164 ( -4.474 0.000 10.755) 11.648 10.251 ( -2.348 0.000 9.151) 9.448 10.278 ( -13.138 0.000 1.133) 13.187 10.434 ( -4.328 0.000 8.633) 9.657 10.475 ( -7.260 0.000 3.794) 8.192 10.498 ( -3.385 0.000 0.419) 3.411 10.623 ( -1.613 0.000 7.061) 7.243 10.678 ( -5.570 0.000 10.890) 12.232 10.790 ( 3.666 0.000 2.637) 4.516 10.895 ( 0.451 0.000 2.099) 2.147 10.926 ( -0.400 0.000 3.044) 3.071 11.000 ( 7.187 0.000 -2.680) 7.670 11.000 ( 0.169 0.000 2.328) 2.334 11.131 ( 1.824 0.000 1.421) 2.312 11.228 ( 0.508 0.000 1.868) 1.936 11.284 ( -8.849 0.000 -15.577) 17.915 11.294 ( -7.268 0.000 -0.929) 7.327 11.388 ( 1.247 0.000 5.732) 5.866 11.485 ( -5.393 0.000 9.051) 10.536 11.509 ( -3.673 0.000 -10.062) 10.711 11.668 ( 2.002 0.000 -6.548) 6.847 11.668 ( 0.323 0.000 -2.949) 2.966 11.833 ( 2.170 0.000 2.752) 3.505 11.887 ( 2.283 0.000 -0.028) 2.284 11.906 ( -2.024 0.000 6.609) 6.912 11.990 ( 8.014 0.000 2.623) 8.432 12.053 ( 2.040 0.000 -5.693) 6.048 12.260 ( 9.120 0.000 -8.536) 12.491 12.344 ( -0.258 0.000 -10.321) 10.324 12.356 ( 4.149 0.000 -8.514) 9.471 12.671 ( -4.615 0.000 5.518) 7.193 12.713 ( -1.030 0.000 1.493) 1.813 12.888 ( 3.705 0.000 6.139) 7.170 13.146 ( -2.713 0.000 -4.331) 5.111 13.455 ( 4.477 0.000 1.044) 4.597 13.511 ( 9.952 0.000 -3.321) 10.491 13.645 ( 24.895 0.000 -4.244) 25.254 13.691 ( 10.732 0.000 -5.581) 12.096 13.833 ( 11.027 0.000 -3.930) 11.706 13.914 ( -7.905 0.000 -6.206) 10.050 14.164 ( 2.461 0.000 3.929) 4.637 14.205 ( 3.231 0.000 1.698) 3.650 14.394 ( 10.089 0.000 -2.584) 10.414 14.454 ( 5.016 0.000 -2.907) 5.798 14.678 ( 8.640 0.000 7.712) 11.582 15.023 ( 29.739 0.000 -10.472) 31.529 15.237 ( -9.641 0.000 3.135) 10.138 15.318 ( -4.877 0.000 1.718) 5.170 15.357 ( -5.041 0.000 -3.079) 5.907 15.410 ( -1.881 0.000 -2.228) 2.916 15.790 ( 0.631 0.000 7.860) 7.885 16.020 ( 1.142 0.000 17.648) 17.685 16.080 ( 0.926 0.000 9.936) 9.979 16.133 ( 6.600 0.000 20.258) 21.306 16.240 ( 3.625 0.000 -7.409) 8.249 16.423 ( 6.070 0.000 -2.170) 6.446 16.485 ( -0.089 0.000 -8.008) 8.009 16.716 ( 5.447 0.000 6.801) 8.714 16.938 ( -1.897 0.000 7.084) 7.333 16.967 ( -5.004 0.000 -10.961) 12.049 17.100 ( 6.801 0.000 -4.459) 8.132 17.195 ( 4.845 0.000 -17.581) 18.237 17.200 ( 5.853 0.000 24.176) 24.875 17.423 ( 0.111 0.000 10.202) 10.203 17.505 ( 4.534 0.000 -1.614) 4.813 18.258 ( -13.716 0.000 10.940) 17.544 18.381 ( -0.957 0.000 -20.447) 20.470 18.392 ( -27.015 0.000 8.943) 28.457 18.519 ( -10.833 0.000 4.718) 11.816 18.536 ( -17.739 0.000 0.576) 17.748 19.702 ( -1.045 0.000 18.062) 18.092 19.911 ( 5.888 0.000 -12.226) 13.570 19.972 ( 2.126 0.000 -16.593) 16.729 20.369 ( -5.743 0.000 -10.117) 11.634 20.627 ( -2.381 0.000 -3.353) 4.112 20.704 ( -0.055 0.000 -4.966) 4.967 20.748 ( -5.902 0.000 -0.691) 5.942 20.879 ( -3.686 0.000 -6.466) 7.443 23.628 ( -21.819 0.000 2.122) 21.922 23.661 ( -13.503 0.000 0.165) 13.504 23.665 ( -22.495 0.000 2.804) 22.669 23.711 ( -16.574 0.000 1.262) 16.622 23.766 ( -15.510 0.000 2.239) 15.671 23.826 ( -19.193 0.000 0.015) 19.193 23.965 ( -13.771 0.000 1.856) 13.895 23.995 ( -13.474 0.000 0.233) 13.476 24.236 ( -0.421 0.000 4.609) 4.628 24.356 ( 1.625 0.000 3.071) 3.474 24.367 ( 3.057 0.000 -1.637) 3.468 24.564 ( -0.302 0.000 -8.208) 8.213 24.629 ( 7.759 0.000 0.742) 7.794 24.682 ( 7.301 0.000 -1.955) 7.558 25.111 ( 7.055 0.000 1.534) 7.220 25.152 ( 6.025 0.000 -0.037) 6.025 25.217 ( 7.315 0.000 0.069) 7.315 25.219 ( 8.446 0.000 0.171) 8.448 25.730 ( -1.898 0.000 16.472) 16.581 26.005 ( -5.013 0.000 15.014) 15.829 26.527 ( -6.455 0.000 19.410) 20.456 26.633 ( -12.254 0.000 -28.124) 30.678 26.866 ( -10.935 0.000 -21.610) 24.219 27.195 ( 0.075 0.000 14.699) 14.700 27.224 ( 1.628 0.000 13.270) 13.370 27.235 ( 1.474 0.000 9.116) 9.234 27.238 ( 2.204 0.000 11.361) 11.573 27.524 ( -8.038 0.000 -25.630) 26.861 27.956 ( -6.937 0.000 -4.362) 8.194 28.109 ( -7.396 0.000 -15.779) 17.426 28.121 ( -6.063 0.000 -16.062) 17.168 28.323 ( -10.957 0.000 -19.432) 22.308 29.341 ( -6.681 0.000 17.677) 18.897 29.792 ( -19.037 0.000 14.342) 23.835 29.811 ( -17.118 0.000 13.843) 22.015 29.874 ( -16.705 0.000 -8.223) 18.619 31.238 ( -28.912 0.000 32.471) 43.477 31.636 ( -19.317 0.000 -0.137) 19.317 31.677 ( -17.821 0.000 -1.935) 17.926 31.869 ( 1.801 0.000 -4.643) 4.980 32.166 ( 16.996 0.000 0.777) 17.013 32.225 ( 17.555 0.000 -1.723) 17.639 32.333 ( 3.304 0.000 -3.745) 4.994 32.336 ( 24.412 0.000 -7.751) 25.613 32.564 ( 18.609 0.000 1.490) 18.668 32.701 ( 21.253 0.000 -7.089) 22.404 32.726 ( 24.715 0.000 -5.335) 25.284 32.803 ( 16.578 0.000 -9.121) 18.922 33.256 ( 2.416 0.000 2.920) 3.790 33.286 ( 6.668 0.000 2.494) 7.119 33.300 ( 5.473 0.000 2.697) 6.102 33.336 ( 12.150 0.000 1.494) 12.241 33.761 ( 4.449 0.000 5.416) 7.009 33.777 ( 1.141 0.000 2.177) 2.458 34.059 ( -4.628 0.000 13.496) 14.267 34.679 ( -6.309 0.000 -16.499) 17.664 ======================= Grid point 56 (23/40) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 28.252 0.000 24.449) 37.362 2.562 ( 2.722 0.000 23.346) 23.504 2.737 ( 4.695 0.000 25.567) 25.994 3.049 ( 3.224 0.000 17.809) 18.098 3.271 ( 15.002 0.000 13.321) 20.063 3.298 ( -1.793 0.000 7.113) 7.336 3.366 ( 14.469 0.000 17.679) 22.846 3.386 ( 14.280 0.000 6.713) 15.779 3.565 ( 8.755 0.000 0.715) 8.784 3.649 ( 23.859 0.000 8.938) 25.478 3.685 ( 27.811 0.000 22.189) 35.578 3.732 ( 23.429 0.000 -0.712) 23.440 3.865 ( 30.500 0.000 1.775) 30.551 4.070 ( 11.195 0.000 5.454) 12.453 4.122 ( 24.369 0.000 -5.519) 24.986 4.124 ( -1.247 0.000 5.845) 5.977 4.343 ( -1.381 0.000 -0.297) 1.413 4.391 ( 19.920 0.000 -0.152) 19.921 4.445 ( 5.866 0.000 -7.762) 9.729 4.581 ( 14.179 0.000 2.376) 14.377 4.756 ( 32.852 0.000 2.388) 32.939 4.802 ( 15.587 0.000 2.089) 15.727 4.922 ( 21.661 0.000 -8.572) 23.295 4.973 ( 29.304 0.000 -7.690) 30.296 5.047 ( 21.635 0.000 -4.453) 22.089 5.094 ( 18.378 0.000 -1.719) 18.458 5.122 ( 30.745 0.000 0.936) 30.760 5.189 ( 8.383 0.000 -3.999) 9.288 5.409 ( 7.437 0.000 3.309) 8.140 5.523 ( 28.640 0.000 -0.206) 28.641 5.571 ( 14.055 0.000 -1.504) 14.135 5.605 ( 12.208 0.000 0.411) 12.215 5.680 ( 13.541 0.000 1.737) 13.652 5.809 ( -2.009 0.000 -5.058) 5.442 5.859 ( 16.970 0.000 -4.577) 17.576 5.950 ( 21.913 0.000 -5.791) 22.665 6.297 ( 24.619 0.000 3.157) 24.821 6.354 ( 21.693 0.000 3.713) 22.009 6.377 ( 17.881 0.000 8.676) 19.875 6.593 ( 6.329 0.000 2.874) 6.951 6.658 ( -4.124 0.000 3.015) 5.108 6.740 ( -3.576 0.000 -1.820) 4.013 6.763 ( -2.929 0.000 3.215) 4.350 6.929 ( 2.485 0.000 9.937) 10.243 6.967 ( 3.570 0.000 -3.634) 5.094 7.010 ( 0.450 0.000 -9.183) 9.194 7.076 ( -10.854 0.000 6.237) 12.518 7.105 ( -3.502 0.000 4.643) 5.816 7.183 ( 1.305 0.000 4.303) 4.497 7.256 ( 1.342 0.000 -2.638) 2.960 7.358 ( 5.869 0.000 -1.126) 5.976 7.415 ( -4.729 0.000 0.662) 4.776 7.460 ( -2.027 0.000 2.880) 3.522 7.514 ( 1.878 0.000 -0.825) 2.051 7.655 ( 3.797 0.000 1.643) 4.137 7.656 ( -4.018 0.000 5.081) 6.478 7.720 ( -6.465 0.000 -4.015) 7.610 7.859 ( 0.692 0.000 -7.835) 7.865 7.878 ( -6.781 0.000 2.234) 7.139 7.927 ( -8.223 0.000 -8.767) 12.020 8.024 ( -5.676 0.000 1.995) 6.017 8.043 ( 5.250 0.000 -6.556) 8.399 8.269 ( 5.076 0.000 -2.843) 5.818 8.270 ( 8.233 0.000 3.579) 8.977 8.335 ( 11.654 0.000 6.848) 13.517 8.408 ( 4.553 0.000 -12.862) 13.644 8.498 ( 1.502 0.000 -9.866) 9.980 8.684 ( -9.656 0.000 -3.099) 10.141 8.741 ( 5.741 0.000 -8.021) 9.864 8.849 ( 3.198 0.000 0.433) 3.228 8.970 ( -5.717 0.000 14.906) 15.964 8.985 ( 0.257 0.000 -2.976) 2.987 8.998 ( -2.951 0.000 -12.679) 13.018 9.215 ( -2.226 0.000 -8.111) 8.411 9.250 ( 1.551 0.000 -9.209) 9.338 9.326 ( -3.877 0.000 0.036) 3.877 9.406 ( -4.288 0.000 -7.146) 8.334 9.542 ( -7.139 0.000 -6.484) 9.644 9.656 ( -0.588 0.000 -3.301) 3.353 9.711 ( -10.771 0.000 -0.520) 10.784 9.753 ( -6.850 0.000 -5.209) 8.606 9.824 ( -11.275 0.000 -8.228) 13.958 9.992 ( -11.809 0.000 2.770) 12.129 10.052 ( -8.035 0.000 6.775) 10.510 10.093 ( -8.936 0.000 0.045) 8.936 10.261 ( -12.538 0.000 0.607) 12.552 10.384 ( -2.732 0.000 4.043) 4.880 10.405 ( -5.790 0.000 0.034) 5.790 10.536 ( -5.192 0.000 7.418) 9.054 10.625 ( 1.509 0.000 10.250) 10.360 10.798 ( -2.734 0.000 1.317) 3.035 10.884 ( -0.997 0.000 0.356) 1.058 10.903 ( -1.363 0.000 1.859) 2.305 10.981 ( -3.269 0.000 6.570) 7.339 11.047 ( -10.224 0.000 -7.893) 12.916 11.129 ( 2.968 0.000 -8.674) 9.168 11.157 ( -6.418 0.000 -3.283) 7.209 11.229 ( 1.617 0.000 -0.902) 1.851 11.234 ( 4.511 0.000 -3.312) 5.597 11.343 ( -4.007 0.000 -7.677) 8.660 11.360 ( -6.683 0.000 3.000) 7.325 11.510 ( 2.269 0.000 2.136) 3.116 11.551 ( -10.964 0.000 -3.093) 11.392 11.631 ( -4.798 0.000 0.428) 4.817 11.810 ( -1.412 0.000 3.326) 3.613 11.902 ( 2.152 0.000 -3.339) 3.973 12.031 ( 10.463 0.000 1.218) 10.534 12.118 ( 7.491 0.000 -1.497) 7.639 12.229 ( 12.486 0.000 2.056) 12.655 12.389 ( -1.553 0.000 -4.387) 4.654 12.513 ( 15.669 0.000 -4.495) 16.301 12.520 ( 14.350 0.000 -6.438) 15.728 12.608 ( -0.458 0.000 6.290) 6.307 12.892 ( 9.397 0.000 -8.850) 12.909 12.962 ( 3.740 0.000 3.181) 4.910 13.061 ( 1.278 0.000 0.040) 1.278 13.473 ( 0.488 0.000 -0.059) 0.492 13.642 ( -0.282 0.000 0.280) 0.397 13.764 ( -2.636 0.000 -10.606) 10.929 13.837 ( 5.840 0.000 -9.701) 11.323 14.160 ( -2.545 0.000 1.495) 2.951 14.187 ( 19.389 0.000 -4.418) 19.886 14.225 ( 6.692 0.000 -5.865) 8.899 14.291 ( 13.933 0.000 -4.581) 14.667 14.603 ( 8.766 0.000 0.696) 8.794 14.653 ( 10.223 0.000 -0.450) 10.233 14.933 ( 15.627 0.000 16.612) 22.807 14.971 ( -15.055 0.000 4.995) 15.862 15.219 ( -4.951 0.000 -6.731) 8.356 15.231 ( 0.782 0.000 -0.224) 0.813 15.273 ( -3.752 0.000 -2.923) 4.757 15.695 ( 19.039 0.000 -4.787) 19.631 15.776 ( -2.047 0.000 1.679) 2.647 16.069 ( 6.076 0.000 8.783) 10.680 16.100 ( 0.869 0.000 3.764) 3.864 16.356 ( 6.376 0.000 1.314) 6.510 16.363 ( 13.604 0.000 18.403) 22.885 16.495 ( 1.197 0.000 -10.392) 10.461 16.591 ( 9.061 0.000 2.191) 9.323 16.789 ( 0.289 0.000 9.321) 9.326 16.869 ( -3.870 0.000 -5.360) 6.611 16.935 ( 3.561 0.000 -2.931) 4.612 17.230 ( -2.853 0.000 -12.473) 12.795 17.240 ( 4.823 0.000 -12.903) 13.775 17.355 ( 7.619 0.000 29.310) 30.284 17.457 ( 3.471 0.000 6.745) 7.586 17.607 ( 3.264 0.000 2.523) 4.126 17.812 ( -22.597 0.000 3.038) 22.800 17.925 ( -15.997 0.000 8.133) 17.946 18.022 ( -21.541 0.000 5.173) 22.154 18.238 ( -14.596 0.000 5.625) 15.642 18.349 ( -9.263 0.000 -11.151) 14.497 19.821 ( 14.818 0.000 3.381) 15.199 20.032 ( 4.119 0.000 -13.687) 14.293 20.097 ( 11.729 0.000 -13.390) 17.801 20.223 ( -5.462 0.000 -10.242) 11.608 20.657 ( 5.822 0.000 4.356) 7.271 20.667 ( 1.350 0.000 -2.159) 2.546 20.726 ( 6.351 0.000 -5.749) 8.566 20.964 ( 10.608 0.000 -9.664) 14.350 23.032 ( -33.769 0.000 9.384) 35.049 23.084 ( -32.248 0.000 7.103) 33.021 23.174 ( -30.071 0.000 4.966) 30.478 23.319 ( -23.675 0.000 -3.185) 23.888 23.336 ( -26.762 0.000 4.639) 27.162 23.361 ( -21.730 0.000 -1.417) 21.777 23.573 ( -23.358 0.000 -0.546) 23.364 23.619 ( -22.157 0.000 -1.404) 22.201 24.240 ( 0.336 0.000 4.464) 4.477 24.385 ( 0.381 0.000 2.704) 2.731 24.420 ( 1.174 0.000 -3.594) 3.781 24.546 ( -1.485 0.000 -6.286) 6.459 24.741 ( 3.462 0.000 0.034) 3.462 24.771 ( 2.048 0.000 -1.582) 2.588 25.275 ( 7.781 0.000 1.196) 7.872 25.304 ( 7.852 0.000 -0.058) 7.852 25.382 ( 5.055 0.000 0.640) 5.095 25.383 ( 7.663 0.000 -0.373) 7.672 25.655 ( -3.655 0.000 12.080) 12.621 25.842 ( -9.918 0.000 10.187) 14.218 26.344 ( -13.606 0.000 -17.657) 22.291 26.356 ( -9.282 0.000 8.957) 12.900 26.598 ( -13.268 0.000 -9.930) 16.573 27.180 ( -3.153 0.000 6.657) 7.366 27.238 ( -7.865 0.000 -5.620) 9.667 27.244 ( 0.136 0.000 10.128) 10.129 27.265 ( 1.257 0.000 9.456) 9.540 27.297 ( -5.868 0.000 -0.160) 5.870 27.770 ( -10.485 0.000 -3.829) 11.162 27.895 ( -12.356 0.000 -11.073) 16.592 27.919 ( -12.601 0.000 -11.716) 17.206 28.030 ( -15.875 0.000 -14.549) 21.533 29.247 ( -1.211 0.000 12.105) 12.165 29.455 ( -11.658 0.000 15.456) 19.360 29.550 ( -5.638 0.000 10.985) 12.347 29.554 ( -11.057 0.000 0.038) 11.058 30.679 ( -25.167 0.000 34.295) 42.538 31.112 ( -28.678 0.000 0.203) 28.679 31.183 ( -27.555 0.000 -2.818) 27.698 31.659 ( -21.908 0.000 -15.855) 27.044 32.528 ( 15.602 0.000 1.393) 15.664 32.594 ( 20.672 0.000 4.458) 21.147 32.647 ( 21.600 0.000 -4.359) 22.036 32.868 ( 22.545 0.000 -9.253) 24.370 32.996 ( 21.030 0.000 3.302) 21.288 33.053 ( 15.487 0.000 -0.651) 15.501 33.171 ( 18.717 0.000 -2.404) 18.871 33.271 ( 11.135 0.000 -1.829) 11.285 33.379 ( 17.341 0.000 -2.962) 17.592 33.448 ( 8.869 0.000 -1.136) 8.941 33.476 ( 12.037 0.000 6.011) 13.455 33.681 ( 17.995 0.000 -1.646) 18.070 33.849 ( 5.830 0.000 1.121) 5.936 33.896 ( 6.474 0.000 5.877) 8.744 34.015 ( 2.520 0.000 5.542) 6.088 34.588 ( -2.221 0.000 -18.370) 18.504 ======================= Grid point 57 (24/40) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 12.291 0.000 9.879) 15.769 2.859 ( 15.959 0.000 7.403) 17.593 2.916 ( 12.769 0.000 13.515) 18.593 3.147 ( 6.770 0.000 5.709) 8.856 3.429 ( 15.620 0.000 9.848) 18.465 3.490 ( 4.945 0.000 11.128) 12.178 3.539 ( 2.746 0.000 -0.119) 2.748 3.567 ( 4.914 0.000 20.374) 20.959 3.772 ( 10.064 0.000 -0.323) 10.070 3.938 ( -1.144 0.000 -2.834) 3.056 4.031 ( 3.455 0.000 -1.633) 3.822 4.117 ( 18.637 0.000 7.720) 20.172 4.180 ( -2.314 0.000 -1.152) 2.585 4.219 ( 12.452 0.000 11.801) 17.156 4.267 ( 3.646 0.000 -0.696) 3.711 4.356 ( 13.082 0.000 11.611) 17.491 4.398 ( 2.947 0.000 -7.826) 8.363 4.525 ( 13.870 0.000 -0.866) 13.897 4.622 ( 2.792 0.000 0.364) 2.816 4.681 ( 1.714 0.000 8.664) 8.832 4.993 ( 1.870 0.000 2.506) 3.127 5.113 ( 8.177 0.000 -3.685) 8.969 5.192 ( 11.049 0.000 -13.842) 17.711 5.282 ( 2.356 0.000 -9.091) 9.391 5.312 ( 3.273 0.000 -1.478) 3.591 5.455 ( 4.728 0.000 3.404) 5.826 5.519 ( -3.407 0.000 -1.744) 3.828 5.563 ( 29.493 0.000 3.349) 29.683 5.712 ( -2.678 0.000 1.450) 3.046 5.816 ( 16.596 0.000 2.417) 16.772 5.887 ( 19.401 0.000 -1.554) 19.463 5.932 ( 9.679 0.000 -1.126) 9.744 6.114 ( 37.660 0.000 2.448) 37.739 6.145 ( -3.737 0.000 6.002) 7.070 6.353 ( 0.521 0.000 10.215) 10.228 6.381 ( 8.394 0.000 -4.850) 9.694 6.403 ( 9.517 0.000 -2.388) 9.812 6.457 ( 12.225 0.000 4.601) 13.062 6.592 ( -4.121 0.000 8.997) 9.896 6.688 ( 0.435 0.000 11.419) 11.428 6.751 ( 3.172 0.000 0.162) 3.176 6.870 ( 16.077 0.000 -2.522) 16.274 6.909 ( 2.432 0.000 -0.487) 2.481 6.987 ( -1.262 0.000 14.021) 14.077 7.002 ( 10.380 0.000 3.897) 11.088 7.101 ( 2.784 0.000 2.412) 3.684 7.140 ( 9.501 0.000 -0.162) 9.503 7.151 ( 7.720 0.000 -2.387) 8.080 7.282 ( 19.215 0.000 3.240) 19.486 7.350 ( 10.619 0.000 6.989) 12.712 7.459 ( 8.249 0.000 1.497) 8.384 7.512 ( 10.854 0.000 4.041) 11.582 7.567 ( 5.026 0.000 -1.890) 5.369 7.636 ( 12.059 0.000 -10.857) 16.226 7.706 ( 5.623 0.000 6.390) 8.511 7.733 ( -3.554 0.000 -1.103) 3.721 7.770 ( 7.104 0.000 -0.027) 7.104 7.808 ( 7.817 0.000 -0.270) 7.822 7.850 ( 15.949 0.000 -1.125) 15.989 7.901 ( 3.381 0.000 -6.432) 7.267 8.066 ( 13.603 0.000 2.844) 13.897 8.212 ( 11.154 0.000 -4.435) 12.003 8.301 ( -2.567 0.000 8.327) 8.713 8.440 ( 5.212 0.000 -0.251) 5.218 8.494 ( -2.716 0.000 -4.826) 5.538 8.508 ( 11.742 0.000 -6.778) 13.558 8.510 ( -1.715 0.000 -2.800) 3.283 8.669 ( 10.233 0.000 0.898) 10.272 8.698 ( -7.902 0.000 -0.370) 7.911 8.854 ( -8.500 0.000 -6.439) 10.663 8.893 ( 9.268 0.000 -5.600) 10.829 8.905 ( -0.085 0.000 0.825) 0.830 8.993 ( -13.997 0.000 -2.532) 14.224 9.074 ( -3.021 0.000 6.998) 7.622 9.209 ( -0.491 0.000 -7.620) 7.636 9.265 ( -11.636 0.000 -5.798) 13.000 9.374 ( -6.253 0.000 -2.004) 6.566 9.391 ( 3.998 0.000 -5.422) 6.737 9.481 ( -9.074 0.000 -1.942) 9.280 9.502 ( -13.423 0.000 -2.757) 13.703 9.577 ( -5.332 0.000 -5.107) 7.384 9.652 ( -8.429 0.000 -3.961) 9.313 9.804 ( -12.587 0.000 0.689) 12.606 9.811 ( -6.061 0.000 2.012) 6.386 9.969 ( -6.066 0.000 -3.082) 6.804 9.976 ( -14.575 0.000 -5.552) 15.597 10.252 ( -8.764 0.000 0.922) 8.812 10.254 ( -8.882 0.000 4.567) 9.987 10.473 ( -1.267 0.000 2.935) 3.197 10.694 ( -6.340 0.000 3.630) 7.306 10.702 ( 4.484 0.000 6.017) 7.505 10.806 ( -11.174 0.000 -5.117) 12.290 10.846 ( -2.143 0.000 0.646) 2.239 10.893 ( 0.250 0.000 0.087) 0.265 10.914 ( -3.406 0.000 6.263) 7.130 10.995 ( -6.670 0.000 -2.052) 6.979 11.139 ( -2.659 0.000 -8.096) 8.522 11.222 ( -5.254 0.000 -2.259) 5.719 11.241 ( -2.173 0.000 -8.741) 9.007 11.283 ( 0.604 0.000 -3.706) 3.755 11.323 ( -5.655 0.000 -4.737) 7.377 11.378 ( 2.496 0.000 -10.054) 10.360 11.492 ( -8.357 0.000 -1.465) 8.484 11.516 ( -1.154 0.000 -4.063) 4.223 11.856 ( 7.881 0.000 6.896) 10.472 12.042 ( 8.988 0.000 -2.235) 9.262 12.266 ( 10.463 0.000 -1.181) 10.529 12.277 ( 5.147 0.000 1.130) 5.269 12.388 ( 4.212 0.000 -4.399) 6.090 12.454 ( 8.537 0.000 -4.754) 9.771 12.625 ( 2.060 0.000 7.500) 7.777 12.845 ( 10.953 0.000 -4.874) 11.988 12.887 ( 1.464 0.000 1.098) 1.830 12.918 ( 20.495 0.000 -1.832) 20.577 13.061 ( 5.887 0.000 3.271) 6.735 13.298 ( 11.469 0.000 -6.662) 13.264 13.488 ( 1.689 0.000 -5.019) 5.296 13.516 ( -7.337 0.000 -3.239) 8.020 13.781 ( -0.315 0.000 -5.592) 5.601 13.914 ( -0.149 0.000 -10.782) 10.783 14.090 ( -3.090 0.000 2.556) 4.010 14.294 ( 5.153 0.000 -10.217) 11.443 14.383 ( 1.024 0.000 2.182) 2.410 14.529 ( 5.188 0.000 -7.448) 9.077 14.638 ( -14.988 0.000 7.724) 16.861 14.661 ( -7.647 0.000 0.380) 7.656 14.676 ( -1.684 0.000 0.324) 1.715 15.077 ( -8.648 0.000 -13.053) 15.658 15.267 ( 14.205 0.000 22.251) 26.398 15.317 ( 8.032 0.000 3.348) 8.702 15.487 ( 17.941 0.000 -8.444) 19.828 15.700 ( -4.100 0.000 4.988) 6.457 15.902 ( 4.544 0.000 3.551) 5.766 16.081 ( -3.593 0.000 1.350) 3.839 16.193 ( 1.628 0.000 8.849) 8.998 16.454 ( 2.430 0.000 6.535) 6.972 16.525 ( -0.670 0.000 -9.313) 9.337 16.639 ( 10.574 0.000 -0.171) 10.575 16.737 ( -1.619 0.000 7.216) 7.395 16.772 ( 7.041 0.000 5.814) 9.131 16.844 ( 2.253 0.000 0.136) 2.257 17.126 ( 12.524 0.000 -11.637) 17.097 17.131 ( -4.287 0.000 -2.404) 4.915 17.198 ( -6.625 0.000 4.532) 8.027 17.473 ( 1.666 0.000 17.276) 17.356 17.496 ( -0.554 0.000 -7.986) 8.006 17.503 ( -4.141 0.000 -1.063) 4.276 17.599 ( -6.466 0.000 3.522) 7.363 17.746 ( 3.846 0.000 -4.522) 5.937 17.791 ( -4.387 0.000 11.335) 12.154 17.955 ( -11.791 0.000 4.567) 12.644 18.058 ( -16.413 0.000 -4.082) 16.913 20.191 ( 12.714 0.000 -2.988) 13.060 20.293 ( 14.538 0.000 0.187) 14.539 20.303 ( 27.812 0.000 -7.892) 28.910 20.425 ( 22.540 0.000 -4.237) 22.935 20.891 ( 16.782 0.000 6.521) 18.004 20.897 ( 20.531 0.000 -5.139) 21.164 21.026 ( 21.364 0.000 -10.065) 23.617 21.286 ( 19.984 0.000 -11.518) 23.066 22.252 ( -39.621 0.000 14.498) 42.190 22.347 ( -37.608 0.000 10.568) 39.064 22.463 ( -36.994 0.000 9.063) 38.088 22.712 ( -33.310 0.000 -7.430) 34.129 22.712 ( -32.379 0.000 8.115) 33.380 22.838 ( -28.746 0.000 -5.166) 29.207 22.999 ( -30.923 0.000 -4.751) 31.286 23.078 ( -29.004 0.000 -5.298) 29.484 24.249 ( 0.650 0.000 3.864) 3.918 24.366 ( -2.030 0.000 2.524) 3.239 24.424 ( -0.306 0.000 -4.099) 4.110 24.501 ( -2.564 0.000 -4.688) 5.344 24.803 ( 3.299 0.000 -0.865) 3.411 24.804 ( 1.820 0.000 -0.943) 2.050 25.265 ( -10.237 0.000 3.825) 10.928 25.381 ( -9.616 0.000 -1.975) 9.817 25.486 ( 8.785 0.000 1.874) 8.983 25.486 ( 7.866 0.000 1.189) 7.955 25.712 ( 7.899 0.000 3.961) 8.836 25.765 ( 7.404 0.000 3.288) 8.101 26.093 ( -10.591 0.000 -5.855) 12.101 26.152 ( -10.079 0.000 -0.439) 10.089 26.343 ( -10.920 0.000 3.165) 11.370 26.846 ( -20.285 0.000 -13.942) 24.614 27.184 ( -0.024 0.000 8.665) 8.665 27.243 ( 0.264 0.000 6.848) 6.853 27.277 ( 0.029 0.000 7.533) 7.533 27.287 ( 1.184 0.000 6.122) 6.235 27.539 ( -10.866 0.000 -1.949) 11.040 27.626 ( -12.489 0.000 -6.798) 14.219 27.644 ( -12.519 0.000 -6.460) 14.088 27.707 ( -13.974 0.000 -8.685) 16.453 29.295 ( 5.870 0.000 7.228) 9.311 29.312 ( -2.083 0.000 14.283) 14.434 29.444 ( -0.127 0.000 0.776) 0.786 29.591 ( 8.743 0.000 -0.236) 8.746 30.185 ( -21.152 0.000 26.783) 34.128 30.497 ( -28.429 0.000 0.394) 28.431 30.590 ( -27.499 0.000 -3.361) 27.704 31.080 ( -30.658 0.000 -16.727) 34.924 32.881 ( 16.438 0.000 3.934) 16.903 32.994 ( 16.775 0.000 5.940) 17.795 33.075 ( 18.104 0.000 -5.484) 18.916 33.268 ( 15.733 0.000 -5.735) 16.745 33.295 ( 6.619 0.000 1.536) 6.795 33.342 ( 11.232 0.000 -0.168) 11.233 33.369 ( 2.828 0.000 4.555) 5.362 33.507 ( 10.842 0.000 -1.277) 10.917 33.662 ( 12.374 0.000 -2.188) 12.566 33.713 ( 13.120 0.000 9.071) 15.950 33.849 ( 17.846 0.000 -7.759) 19.460 33.949 ( 6.132 0.000 5.086) 7.967 33.987 ( 3.659 0.000 10.304) 10.935 34.070 ( 14.922 0.000 -6.798) 16.398 34.152 ( 7.237 0.000 -3.553) 8.062 34.559 ( -1.382 0.000 -16.527) 16.585 ======================= Grid point 58 (25/40) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 17.085 0.000 0.837) 17.106 3.103 ( 9.379 0.000 -0.505) 9.392 3.220 ( 12.404 0.000 3.046) 12.773 3.238 ( -1.486 0.000 1.457) 2.082 3.423 ( -8.669 0.000 2.221) 8.949 3.549 ( -8.207 0.000 10.621) 13.422 3.606 ( 7.354 0.000 -7.829) 10.741 3.767 ( 1.039 0.000 -2.437) 2.649 3.878 ( 3.952 0.000 9.900) 10.659 3.890 ( 8.501 0.000 -0.539) 8.518 4.004 ( -5.282 0.000 -1.532) 5.500 4.161 ( -10.495 0.000 -3.179) 10.966 4.252 ( 11.275 0.000 -0.101) 11.276 4.372 ( 6.128 0.000 0.417) 6.142 4.413 ( 4.042 0.000 -2.335) 4.668 4.504 ( -8.600 0.000 2.360) 8.918 4.668 ( 11.540 0.000 8.241) 14.180 4.679 ( 6.424 0.000 9.908) 11.808 4.764 ( 22.670 0.000 15.834) 27.652 4.774 ( 5.245 0.000 1.735) 5.525 4.900 ( -10.571 0.000 8.846) 13.784 5.181 ( -10.065 0.000 8.625) 13.254 5.304 ( 0.191 0.000 -5.317) 5.320 5.370 ( -6.234 0.000 -2.282) 6.639 5.407 ( 7.362 0.000 -0.223) 7.365 5.472 ( 6.001 0.000 1.261) 6.132 5.557 ( 14.748 0.000 -14.092) 20.398 5.655 ( 3.781 0.000 -2.502) 4.534 5.768 ( -13.405 0.000 -1.275) 13.466 5.896 ( -19.759 0.000 -1.017) 19.785 5.897 ( 0.283 0.000 -4.082) 4.092 5.992 ( -8.746 0.000 4.358) 9.771 6.207 ( 10.575 0.000 11.871) 15.898 6.243 ( 13.056 0.000 15.205) 20.041 6.380 ( 7.760 0.000 14.145) 16.134 6.495 ( 1.923 0.000 11.632) 11.790 6.651 ( -0.482 0.000 12.608) 12.618 6.668 ( 2.814 0.000 5.403) 6.092 6.749 ( 1.442 0.000 0.486) 1.522 6.817 ( -5.323 0.000 7.138) 8.904 6.880 ( 12.034 0.000 6.816) 13.830 6.907 ( 1.739 0.000 11.521) 11.651 6.941 ( 7.480 0.000 4.044) 8.503 6.969 ( -0.159 0.000 1.926) 1.932 7.031 ( 3.932 0.000 8.400) 9.275 7.112 ( 6.466 0.000 -5.257) 8.333 7.173 ( 2.412 0.000 -6.965) 7.371 7.305 ( -8.459 0.000 -0.664) 8.485 7.424 ( -14.067 0.000 6.474) 15.485 7.451 ( -15.155 0.000 -2.869) 15.424 7.578 ( 14.715 0.000 -1.089) 14.755 7.667 ( 7.277 0.000 -9.395) 11.884 7.742 ( 12.942 0.000 -2.689) 13.219 7.788 ( 1.101 0.000 -7.963) 8.039 7.858 ( 0.221 0.000 -2.615) 2.624 7.879 ( 2.429 0.000 -1.722) 2.978 8.004 ( 26.166 0.000 3.335) 26.377 8.034 ( 18.546 0.000 0.052) 18.547 8.171 ( 7.564 0.000 -3.365) 8.279 8.266 ( 22.409 0.000 -3.973) 22.759 8.322 ( -5.842 0.000 1.674) 6.077 8.387 ( -11.680 0.000 1.711) 11.805 8.405 ( -8.771 0.000 -2.408) 9.095 8.534 ( 14.324 0.000 1.406) 14.393 8.535 ( 12.834 0.000 -4.519) 13.606 8.622 ( 7.472 0.000 3.307) 8.171 8.628 ( 14.372 0.000 0.594) 14.385 8.712 ( -3.564 0.000 -7.048) 7.898 8.778 ( 13.619 0.000 -7.966) 15.778 8.827 ( 10.521 0.000 4.923) 11.616 8.873 ( -13.661 0.000 -9.006) 16.362 8.894 ( -10.386 0.000 1.601) 10.509 8.918 ( 12.971 0.000 -2.666) 13.242 9.022 ( 2.789 0.000 1.774) 3.306 9.055 ( -7.775 0.000 -3.387) 8.480 9.129 ( -3.496 0.000 0.858) 3.600 9.181 ( -12.128 0.000 2.166) 12.320 9.304 ( -16.105 0.000 0.274) 16.107 9.324 ( -2.127 0.000 0.815) 2.278 9.362 ( 2.085 0.000 -3.293) 3.898 9.511 ( -2.586 0.000 2.017) 3.280 9.531 ( -10.827 0.000 -1.331) 10.908 9.577 ( 0.215 0.000 -7.872) 7.875 9.643 ( -14.664 0.000 -3.785) 15.145 9.836 ( 7.938 0.000 -0.777) 7.975 9.847 ( -1.107 0.000 -0.409) 1.180 10.021 ( -12.503 0.000 1.099) 12.551 10.047 ( -10.532 0.000 0.957) 10.576 10.515 ( 5.674 0.000 1.084) 5.777 10.583 ( -2.964 0.000 2.082) 3.622 10.611 ( -5.994 0.000 -0.876) 6.057 10.678 ( -8.371 0.000 -1.874) 8.578 10.822 ( 2.607 0.000 5.698) 6.266 10.871 ( -1.492 0.000 4.086) 4.350 10.933 ( 3.593 0.000 -3.121) 4.759 10.977 ( 4.517 0.000 -2.668) 5.246 11.039 ( -6.061 0.000 -5.863) 8.433 11.113 ( -6.266 0.000 -2.878) 6.895 11.205 ( 1.217 0.000 -8.626) 8.711 11.259 ( -2.922 0.000 -7.573) 8.118 11.264 ( -0.474 0.000 -2.688) 2.729 11.323 ( -6.148 0.000 -3.783) 7.218 11.441 ( 2.860 0.000 -11.692) 12.036 11.488 ( -1.617 0.000 -11.050) 11.167 12.124 ( 15.086 0.000 4.280) 15.681 12.207 ( 6.009 0.000 -1.046) 6.099 12.289 ( -1.991 0.000 1.627) 2.571 12.359 ( -4.398 0.000 -1.239) 4.569 12.583 ( 10.823 0.000 -2.518) 11.112 12.595 ( 5.842 0.000 -3.376) 6.747 12.662 ( 0.243 0.000 3.677) 3.685 12.771 ( -6.626 0.000 -0.425) 6.640 13.166 ( 12.412 0.000 -3.522) 12.902 13.178 ( 5.773 0.000 -2.056) 6.128 13.253 ( 3.077 0.000 -1.815) 3.573 13.351 ( -4.714 0.000 -6.734) 8.220 13.457 ( 8.025 0.000 0.263) 8.030 13.628 ( 9.617 0.000 -4.066) 10.441 13.689 ( -8.746 0.000 -1.398) 8.857 13.818 ( -7.839 0.000 -6.910) 10.449 14.085 ( 3.734 0.000 5.089) 6.312 14.251 ( -10.832 0.000 6.185) 12.473 14.422 ( 5.327 0.000 -9.610) 10.988 14.458 ( -2.224 0.000 6.436) 6.809 14.495 ( -5.876 0.000 3.637) 6.910 14.518 ( -4.255 0.000 -6.549) 7.810 14.699 ( 6.009 0.000 -10.651) 12.229 14.879 ( -9.778 0.000 -15.673) 18.473 15.492 ( 7.097 0.000 5.152) 8.770 15.508 ( 9.557 0.000 14.322) 17.218 15.610 ( -4.628 0.000 4.610) 6.532 15.673 ( -3.595 0.000 0.670) 3.657 16.001 ( 5.830 0.000 3.355) 6.727 16.083 ( 8.064 0.000 -1.356) 8.177 16.137 ( -5.941 0.000 5.875) 8.355 16.308 ( -11.331 0.000 -1.671) 11.454 16.618 ( 6.731 0.000 0.540) 6.753 16.724 ( -2.474 0.000 2.165) 3.287 16.767 ( 3.868 0.000 -2.395) 4.549 16.831 ( -1.148 0.000 1.870) 2.194 16.957 ( 6.756 0.000 4.497) 8.116 17.065 ( -3.219 0.000 4.361) 5.421 17.180 ( 5.383 0.000 7.185) 8.978 17.322 ( -4.299 0.000 7.461) 8.611 17.420 ( 2.056 0.000 -3.072) 3.697 17.440 ( 7.411 0.000 -10.657) 12.981 17.551 ( -5.921 0.000 3.103) 6.685 17.565 ( -0.282 0.000 -15.411) 15.414 17.732 ( -1.159 0.000 5.761) 5.876 17.779 ( -7.006 0.000 2.311) 7.377 17.779 ( -2.455 0.000 2.959) 3.844 17.786 ( -1.230 0.000 1.311) 1.798 20.644 ( 30.178 0.000 9.371) 31.600 20.791 ( 31.288 0.000 8.397) 32.395 20.897 ( 31.701 0.000 4.280) 31.988 21.103 ( 36.825 0.000 -9.154) 37.946 21.341 ( 6.310 0.000 8.906) 10.915 21.386 ( -11.134 0.000 10.122) 15.048 21.455 ( 29.938 0.000 -8.758) 31.193 21.538 ( -35.429 0.000 10.573) 36.973 21.629 ( 20.448 0.000 -5.429) 21.156 21.663 ( -35.387 0.000 8.496) 36.393 21.797 ( 26.049 0.000 -11.198) 28.354 21.957 ( -36.654 0.000 -9.047) 37.754 22.014 ( -32.795 0.000 8.913) 33.984 22.176 ( -33.272 0.000 -7.785) 34.171 22.307 ( -34.158 0.000 -8.412) 35.178 22.434 ( -31.554 0.000 -9.316) 32.900 24.272 ( 1.559 0.000 3.129) 3.496 24.315 ( -2.469 0.000 2.646) 3.619 24.423 ( 0.479 0.000 -3.958) 3.987 24.450 ( -2.056 0.000 -4.024) 4.519 24.874 ( 5.343 0.000 0.218) 5.348 24.909 ( 7.238 0.000 -1.415) 7.375 25.036 ( -9.958 0.000 1.972) 10.152 25.115 ( -12.308 0.000 -1.882) 12.451 25.674 ( 9.462 0.000 1.187) 9.536 25.688 ( 10.140 0.000 0.911) 10.181 25.864 ( -0.119 0.000 2.017) 2.021 25.875 ( -9.363 0.000 0.102) 9.363 25.972 ( -0.851 0.000 1.219) 1.487 26.041 ( 15.739 0.000 -1.823) 15.844 26.131 ( -9.589 0.000 5.720) 11.166 26.420 ( -19.739 0.000 -6.721) 20.852 27.214 ( 3.231 0.000 4.469) 5.514 27.276 ( 3.308 0.000 2.043) 3.887 27.294 ( 0.137 0.000 2.007) 2.012 27.332 ( 3.121 0.000 1.206) 3.346 27.350 ( -4.864 0.000 2.254) 5.361 27.404 ( -7.720 0.000 -2.138) 8.011 27.427 ( -7.838 0.000 -1.395) 7.961 27.468 ( -8.697 0.000 -3.095) 9.231 29.359 ( 5.892 0.000 13.651) 14.869 29.472 ( -1.060 0.000 4.907) 5.020 29.502 ( 13.887 0.000 2.028) 14.034 29.795 ( -2.194 0.000 -7.869) 8.169 29.881 ( -3.602 0.000 13.400) 13.876 30.053 ( -0.916 0.000 0.032) 0.916 30.086 ( -19.298 0.000 -1.105) 19.329 30.457 ( -27.304 0.000 -12.707) 30.116 33.173 ( 10.770 0.000 4.539) 11.687 33.269 ( 8.207 0.000 5.552) 9.909 33.330 ( -1.762 0.000 4.552) 4.881 33.371 ( 9.595 0.000 -4.948) 10.795 33.393 ( -1.472 0.000 5.474) 5.668 33.463 ( 1.041 0.000 -3.699) 3.843 33.527 ( 8.024 0.000 -3.509) 8.758 33.611 ( 0.190 0.000 -3.784) 3.789 33.908 ( 9.018 0.000 1.667) 9.171 33.935 ( 7.394 0.000 9.046) 11.683 34.010 ( -0.679 0.000 3.559) 3.623 34.013 ( -0.160 0.000 7.312) 7.314 34.151 ( 8.895 0.000 -4.637) 10.031 34.240 ( 0.343 0.000 -5.042) 5.053 34.342 ( 10.342 0.000 -8.516) 13.397 34.499 ( -4.865 0.000 -12.306) 13.233 ======================= Grid point 63 (26/40) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 16.879 18.203) 24.825 1.915 ( 0.000 8.054 -0.871) 8.101 1.939 ( 0.000 16.703 26.157) 31.035 2.022 ( 0.000 -13.485 16.556) 21.353 2.147 ( 0.000 -4.036 3.099) 5.089 2.630 ( 0.000 -28.728 22.117) 36.256 2.791 ( 0.000 14.120 15.939) 21.294 2.908 ( 0.000 10.352 4.585) 11.322 2.986 ( 0.000 8.836 14.500) 16.980 2.989 ( 0.000 -5.021 21.318) 21.902 3.099 ( 0.000 -8.457 6.945) 10.943 3.137 ( 0.000 -10.370 8.049) 13.127 3.210 ( 0.000 2.272 -5.722) 6.157 3.342 ( 0.000 -12.732 -2.157) 12.913 3.369 ( 0.000 8.819 37.826) 38.840 3.575 ( 0.000 -9.937 22.784) 24.857 3.648 ( 0.000 4.844 5.070) 7.012 3.722 ( 0.000 -1.741 2.955) 3.429 4.092 ( 0.000 7.876 4.748) 9.196 4.211 ( 0.000 -5.415 5.276) 7.560 4.225 ( 0.000 4.974 6.885) 8.494 4.344 ( 0.000 -3.889 9.650) 10.404 4.439 ( 0.000 4.911 11.244) 12.270 4.528 ( 0.000 3.024 6.115) 6.822 4.613 ( 0.000 -5.931 -1.929) 6.237 4.642 ( 0.000 -4.387 -6.447) 7.798 4.873 ( 0.000 4.951 0.215) 4.955 4.919 ( 0.000 -0.302 2.738) 2.755 5.143 ( 0.000 4.911 5.280) 7.211 5.220 ( 0.000 9.611 -1.166) 9.682 5.298 ( 0.000 -9.386 3.938) 10.178 5.375 ( 0.000 -5.546 -1.237) 5.683 5.528 ( 0.000 6.807 10.551) 12.556 5.628 ( 0.000 -4.688 3.568) 5.891 5.763 ( 0.000 10.693 1.328) 10.775 5.855 ( 0.000 17.017 -4.090) 17.501 5.982 ( 0.000 -9.605 -3.021) 10.069 6.053 ( 0.000 -0.198 -15.310) 15.311 6.055 ( 0.000 -3.323 -10.834) 11.332 6.216 ( 0.000 -16.926 -5.973) 17.949 6.552 ( 0.000 3.553 -4.868) 6.026 6.646 ( 0.000 -5.847 -11.100) 12.546 6.808 ( 0.000 3.692 -19.551) 19.896 6.884 ( 0.000 -4.942 -21.569) 22.128 7.052 ( 0.000 8.573 4.721) 9.787 7.200 ( 0.000 0.831 7.974) 8.017 7.208 ( 0.000 0.185 7.098) 7.101 7.252 ( 0.000 0.164 -2.403) 2.409 7.277 ( 0.000 7.471 0.929) 7.528 7.303 ( 0.000 3.979 -4.512) 6.015 7.327 ( 0.000 3.744 11.367) 11.968 7.467 ( 0.000 -2.611 -2.523) 3.631 7.482 ( 0.000 -7.676 1.334) 7.791 7.576 ( 0.000 -8.617 1.191) 8.699 7.685 ( 0.000 -1.018 6.889) 6.964 7.691 ( 0.000 0.954 3.219) 3.357 7.766 ( 0.000 0.351 -8.521) 8.528 7.770 ( 0.000 1.867 -8.401) 8.606 8.078 ( 0.000 6.613 -1.402) 6.760 8.131 ( 0.000 -0.082 -4.683) 4.684 8.163 ( 0.000 3.137 -3.462) 4.672 8.179 ( 0.000 2.447 -9.169) 9.490 8.267 ( 0.000 6.305 -15.558) 16.787 8.387 ( 0.000 -5.706 -21.321) 22.071 8.419 ( 0.000 -2.276 -6.653) 7.032 8.437 ( 0.000 -3.491 -6.353) 7.249 8.545 ( 0.000 -1.973 -5.135) 5.501 8.576 ( 0.000 -3.764 -5.432) 6.608 8.683 ( 0.000 5.719 -5.180) 7.717 8.725 ( 0.000 0.902 -1.466) 1.721 8.825 ( 0.000 7.319 1.853) 7.550 8.884 ( 0.000 -0.241 -12.532) 12.534 8.906 ( 0.000 -1.468 -10.770) 10.870 9.011 ( 0.000 -9.179 6.144) 11.045 9.238 ( 0.000 1.971 -9.950) 10.144 9.311 ( 0.000 -6.511 -10.596) 12.437 9.599 ( 0.000 1.872 -1.498) 2.398 9.606 ( 0.000 1.698 -2.709) 3.197 9.744 ( 0.000 1.535 -7.927) 8.074 9.753 ( 0.000 0.991 -7.030) 7.099 10.059 ( 0.000 4.836 5.992) 7.700 10.185 ( 0.000 -6.947 7.131) 9.955 10.233 ( 0.000 1.521 5.577) 5.781 10.293 ( 0.000 -5.602 4.414) 7.132 10.448 ( 0.000 5.344 2.970) 6.114 10.506 ( 0.000 -0.629 8.958) 8.980 10.569 ( 0.000 0.570 3.166) 3.217 10.580 ( 0.000 0.730 5.236) 5.286 10.665 ( 0.000 2.298 8.494) 8.799 10.717 ( 0.000 2.443 3.745) 4.471 10.732 ( 0.000 -6.126 4.806) 7.786 10.799 ( 0.000 -5.301 2.242) 5.756 10.842 ( 0.000 7.063 11.310) 13.335 10.976 ( 0.000 -7.001 8.629) 11.112 11.121 ( 0.000 7.618 0.363) 7.626 11.170 ( 0.000 13.612 -2.568) 13.852 11.275 ( 0.000 -7.743 1.473) 7.882 11.334 ( 0.000 6.288 -8.225) 10.353 11.386 ( 0.000 -3.594 -10.592) 11.185 11.403 ( 0.000 -3.155 -4.000) 5.094 11.466 ( 0.000 -1.726 0.202) 1.738 11.531 ( 0.000 -4.323 6.483) 7.792 11.630 ( 0.000 -0.210 -5.726) 5.730 11.631 ( 0.000 -0.122 -1.780) 1.784 11.812 ( 0.000 4.325 -2.589) 5.041 11.886 ( 0.000 -3.113 -1.738) 3.565 11.941 ( 0.000 1.365 5.913) 6.068 11.962 ( 0.000 1.933 -2.224) 2.947 12.006 ( 0.000 0.396 2.651) 2.680 12.066 ( 0.000 -3.627 -13.597) 14.073 12.301 ( 0.000 9.026 -10.815) 14.087 12.489 ( 0.000 -9.724 -11.514) 15.071 12.658 ( 0.000 0.447 9.290) 9.301 12.743 ( 0.000 -6.875 14.908) 16.417 12.964 ( 0.000 11.091 -5.975) 12.598 13.107 ( 0.000 -5.121 -3.528) 6.218 13.290 ( 0.000 6.500 -0.572) 6.525 13.362 ( 0.000 5.073 -2.787) 5.789 13.430 ( 0.000 -1.728 -5.235) 5.513 13.448 ( 0.000 -6.664 -8.218) 10.580 13.889 ( 0.000 -0.734 3.753) 3.824 13.970 ( 0.000 -7.785 5.452) 9.504 14.076 ( 0.000 3.499 -5.716) 6.702 14.142 ( 0.000 -3.700 -1.667) 4.058 14.309 ( 0.000 9.338 5.889) 11.040 14.478 ( 0.000 5.516 -1.838) 5.814 14.479 ( 0.000 -8.686 5.438) 10.248 14.590 ( 0.000 -5.542 1.346) 5.703 15.355 ( 0.000 0.034 2.614) 2.614 15.358 ( 0.000 -0.120 3.157) 3.159 15.442 ( 0.000 1.118 -1.852) 2.163 15.447 ( 0.000 0.422 -1.167) 1.241 15.754 ( 0.000 0.092 9.995) 9.996 15.846 ( 0.000 -9.804 10.918) 14.674 16.019 ( 0.000 4.881 11.337) 12.343 16.165 ( 0.000 -8.682 2.632) 9.072 16.310 ( 0.000 6.829 1.893) 7.087 16.322 ( 0.000 5.165 6.149) 8.030 16.633 ( 0.000 9.302 -8.942) 12.903 16.672 ( 0.000 4.985 10.340) 11.479 16.819 ( 0.000 -11.188 -13.168) 17.279 16.830 ( 0.000 -9.604 14.897) 17.724 17.074 ( 0.000 -1.649 24.750) 24.805 17.095 ( 0.000 -3.997 9.498) 10.305 17.368 ( 0.000 13.011 -18.972) 23.005 17.402 ( 0.000 13.826 2.271) 14.012 17.530 ( 0.000 -1.973 -5.847) 6.171 17.848 ( 0.000 -31.503 3.210) 31.666 18.519 ( 0.000 8.735 6.800) 11.070 18.675 ( 0.000 -7.218 3.530) 8.035 18.731 ( 0.000 9.956 1.063) 10.013 18.885 ( 0.000 -1.200 -9.146) 9.225 19.700 ( 0.000 -1.129 12.681) 12.732 19.744 ( 0.000 -5.429 -4.801) 7.248 20.114 ( 0.000 12.000 -15.519) 19.617 20.333 ( 0.000 -10.432 -13.539) 17.092 20.651 ( 0.000 4.987 0.235) 4.993 20.773 ( 0.000 -6.127 0.744) 6.172 20.827 ( 0.000 7.081 -7.594) 10.383 20.926 ( 0.000 -3.467 -6.133) 7.045 23.829 ( 0.000 1.564 1.655) 2.277 23.864 ( 0.000 -1.967 1.795) 2.663 23.881 ( 0.000 1.049 -0.741) 1.284 23.910 ( 0.000 -2.037 0.244) 2.052 23.999 ( 0.000 2.724 2.136) 3.462 24.048 ( 0.000 -2.302 2.411) 3.334 24.100 ( 0.000 3.125 -2.195) 3.819 24.147 ( 0.000 -1.478 -2.091) 2.561 24.395 ( 0.000 0.764 1.607) 1.779 24.410 ( 0.000 -0.924 1.297) 1.593 24.434 ( 0.000 0.973 -0.306) 1.020 24.440 ( 0.000 0.076 -0.164) 0.181 24.812 ( 0.000 23.657 -2.709) 23.812 25.006 ( 0.000 34.709 -10.947) 36.394 25.052 ( 0.000 13.759 -2.502) 13.985 25.065 ( 0.000 -1.758 2.178) 2.799 25.116 ( 0.000 0.201 -0.127) 0.238 25.153 ( 0.000 15.691 -6.537) 16.998 25.341 ( 0.000 -29.789 9.473) 31.259 26.129 ( 0.000 -42.370 -30.386) 52.139 26.341 ( 0.000 8.094 14.556) 16.655 26.531 ( 0.000 -7.414 22.061) 23.273 27.183 ( 0.000 1.885 12.518) 12.659 27.194 ( 0.000 0.329 14.349) 14.353 27.196 ( 0.000 -0.388 14.867) 14.872 27.201 ( 0.000 -0.277 14.583) 14.586 27.341 ( 0.000 14.150 -25.452) 29.121 27.541 ( 0.000 -6.970 -27.062) 27.946 28.059 ( 0.000 2.304 -7.324) 7.678 28.114 ( 0.000 -3.445 -13.422) 13.857 28.275 ( 0.000 5.692 -19.010) 19.844 28.386 ( 0.000 -5.631 -20.326) 21.092 29.540 ( 0.000 10.761 18.369) 21.288 29.791 ( 0.000 -15.281 16.287) 22.334 30.136 ( 0.000 4.678 -12.051) 12.927 30.190 ( 0.000 1.019 -2.291) 2.507 31.776 ( 0.000 0.377 1.260) 1.315 31.785 ( 0.000 -0.418 0.656) 0.778 31.795 ( 0.000 0.199 -0.199) 0.282 31.798 ( 0.000 -0.054 -0.086) 0.101 31.952 ( 0.000 -2.167 15.323) 15.475 31.953 ( 0.000 -3.952 6.101) 7.269 32.280 ( 0.000 0.826 -0.662) 1.058 32.282 ( 0.000 0.101 0.132) 0.167 32.293 ( 0.000 0.061 -0.171) 0.181 32.294 ( 0.000 -0.139 -0.107) 0.175 32.431 ( 0.000 13.288 -13.975) 19.284 32.623 ( 0.000 -6.797 -17.278) 18.566 33.176 ( 0.000 0.189 3.734) 3.738 33.194 ( 0.000 -1.850 4.673) 5.026 33.244 ( 0.000 0.828 0.395) 0.918 33.258 ( 0.000 -0.297 1.908) 1.931 33.855 ( 0.000 8.671 6.015) 10.553 33.925 ( 0.000 21.080 7.406) 22.343 34.032 ( 0.000 -8.854 12.291) 15.148 34.438 ( 0.000 -29.909 -2.725) 30.033 ======================= Grid point 64 (27/40) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 19.780 21.692 28.791) 41.118 2.444 ( 38.036 9.412 27.314) 47.764 2.499 ( 26.361 -20.263 17.365) 37.510 2.571 ( 34.716 -1.330 14.988) 37.836 2.650 ( 30.700 2.855 10.648) 32.619 2.766 ( 23.412 -8.849 17.563) 30.576 2.932 ( 11.327 0.947 22.677) 25.366 2.968 ( 18.672 -3.981 8.694) 20.978 3.228 ( 14.813 1.950 17.451) 22.973 3.288 ( 14.365 -4.671 3.135) 15.427 3.316 ( 20.682 5.173 1.606) 21.379 3.396 ( 11.396 1.920 -8.018) 14.065 3.475 ( 26.750 -1.126 11.888) 29.294 3.513 ( 16.815 -3.434 2.532) 17.348 3.617 ( 22.251 1.672 2.344) 22.437 3.729 ( 17.399 -6.026 2.054) 18.527 3.815 ( 31.733 2.390 12.235) 34.094 3.916 ( 19.774 -4.164 10.449) 22.749 4.207 ( 5.596 6.642 6.097) 10.611 4.306 ( 6.112 -4.197 7.644) 10.649 4.359 ( 12.102 2.858 5.930) 13.776 4.420 ( 18.607 -2.801 4.643) 19.381 4.555 ( 10.380 4.502 4.887) 12.324 4.635 ( 3.986 0.862 -1.305) 4.282 4.692 ( 12.231 4.523 -7.864) 15.229 4.831 ( 18.028 -5.829 -1.364) 18.996 4.932 ( 5.040 1.703 -3.849) 6.566 4.973 ( 5.917 -0.828 -0.450) 5.991 5.140 ( 2.337 4.397 3.580) 6.133 5.256 ( 2.969 4.067 -1.714) 5.319 5.282 ( 0.740 -5.082 4.859) 7.070 5.390 ( 1.694 -5.651 1.613) 6.116 5.565 ( 3.422 4.695 8.880) 10.612 5.639 ( 2.831 -3.309 5.344) 6.894 5.820 ( 4.763 6.679 1.740) 8.386 5.898 ( 3.253 6.453 -5.506) 9.085 6.026 ( 0.091 0.111 -11.545) 11.546 6.073 ( 6.595 -7.262 0.710) 9.835 6.095 ( 6.684 4.505 -10.541) 13.270 6.297 ( 7.706 -11.770 -4.451) 14.756 6.599 ( 5.436 3.279 -2.217) 6.724 6.689 ( 4.128 -5.822 -8.253) 10.911 6.875 ( 4.665 5.228 -15.650) 17.147 6.948 ( -0.496 0.076 -10.369) 10.381 6.980 ( 0.828 1.180 -5.464) 5.651 7.115 ( -6.416 -5.094 5.939) 10.119 7.144 ( -7.208 5.674 -1.375) 9.275 7.184 ( -2.615 -2.140 5.533) 6.483 7.248 ( -2.375 6.288 2.840) 7.297 7.309 ( -3.499 0.166 8.240) 8.953 7.354 ( -5.411 2.061 -0.486) 5.810 7.377 ( -0.074 -3.497 0.246) 3.506 7.488 ( -1.709 -3.388 0.137) 3.797 7.539 ( -0.292 -3.356 1.282) 3.604 7.691 ( -0.182 0.386 -0.836) 0.939 7.722 ( 0.762 0.561 7.615) 7.673 7.799 ( 0.652 2.786 -4.363) 5.217 7.845 ( 1.481 0.474 1.642) 2.261 7.992 ( -5.308 3.034 -5.558) 8.263 8.065 ( -4.256 0.652 -5.009) 6.605 8.104 ( -10.700 -1.403 -3.162) 11.246 8.136 ( 2.456 -1.387 -2.870) 4.024 8.183 ( -6.933 0.770 -10.995) 13.021 8.215 ( -3.783 -2.798 -7.034) 8.463 8.339 ( -4.900 3.559 0.857) 6.116 8.407 ( -3.489 -2.490 -7.720) 8.830 8.525 ( 1.230 5.739 -15.718) 16.778 8.643 ( 2.358 -5.553 -3.844) 7.153 8.677 ( 3.118 3.383 -7.083) 8.446 8.733 ( 4.727 -2.118 -9.464) 10.789 8.934 ( 7.039 6.206 3.960) 10.186 8.971 ( 4.043 5.086 -10.570) 12.407 9.073 ( 6.427 -5.555 -1.846) 8.693 9.115 ( 1.925 -6.369 -6.525) 9.319 9.242 ( 1.599 3.620 -8.918) 9.757 9.350 ( 1.978 -6.928 -4.742) 8.625 9.543 ( -4.430 1.854 -2.485) 5.408 9.557 ( -1.787 0.773 -3.296) 3.828 9.705 ( -3.096 2.732 -8.227) 9.205 9.748 ( 0.133 -1.357 -8.854) 8.959 9.967 ( -8.298 4.929 3.887) 10.405 10.091 ( -8.929 -6.975 5.092) 12.422 10.142 ( -12.504 0.493 -1.000) 12.554 10.194 ( -6.664 -4.473 3.775) 8.870 10.357 ( -5.505 6.040 7.105) 10.829 10.424 ( -4.855 -0.318 8.625) 9.903 10.489 ( -5.794 1.492 7.147) 9.320 10.552 ( -3.919 -0.895 3.951) 5.636 10.605 ( -3.524 2.349 7.240) 8.388 10.711 ( -2.167 1.816 4.090) 4.972 10.758 ( 0.780 -4.562 5.061) 6.858 10.828 ( 2.345 -0.920 1.195) 2.788 10.889 ( 1.463 0.947 2.680) 3.197 10.996 ( -1.672 -7.332 3.107) 8.137 11.105 ( 0.920 7.015 1.906) 7.328 11.150 ( 0.115 6.326 -1.503) 6.503 11.249 ( -2.488 -1.518 -0.084) 2.916 11.277 ( -6.349 -0.921 -9.456) 11.426 11.302 ( -4.095 2.169 -5.407) 7.121 11.385 ( -1.891 -3.163 -0.653) 3.742 11.475 ( -1.091 -0.067 1.822) 2.124 11.491 ( -0.899 -0.412 2.624) 2.804 11.641 ( 0.379 -0.413 -3.711) 3.753 11.662 ( 0.070 -1.612 -4.006) 4.319 11.842 ( 2.058 1.157 2.843) 3.695 11.871 ( -0.416 -1.088 2.392) 2.661 11.958 ( 2.021 2.604 5.148) 6.113 11.993 ( 4.772 -0.583 5.076) 6.991 12.075 ( 2.919 4.152 -10.510) 11.672 12.187 ( 5.942 -6.188 -10.659) 13.682 12.345 ( 4.521 0.293 -7.717) 8.948 12.359 ( 2.254 0.006 -8.148) 8.454 12.682 ( 3.441 2.955 6.085) 7.589 12.763 ( 0.997 -2.935 8.426) 8.978 12.902 ( -4.116 7.684 -2.890) 9.184 13.075 ( -5.343 -7.712 -4.779) 10.529 13.478 ( 8.203 3.141 -0.845) 8.824 13.545 ( 9.305 0.995 -3.615) 10.032 13.595 ( 13.600 -3.955 -3.705) 14.640 13.633 ( 15.577 -2.865 -4.528) 16.473 13.878 ( 4.115 6.148 -1.906) 7.639 14.029 ( 4.215 -7.588 0.473) 8.692 14.053 ( 4.958 8.216 -5.785) 11.205 14.195 ( 2.840 -4.672 -2.794) 6.140 14.443 ( 8.346 5.392 2.283) 10.195 14.531 ( 6.929 1.472 3.722) 8.002 14.639 ( 11.916 2.978 1.247) 12.345 14.867 ( 24.025 -14.661 -6.751) 28.943 15.262 ( -6.853 1.899 2.657) 7.591 15.296 ( -5.701 -1.788 2.319) 6.409 15.385 ( -4.338 2.057 -3.196) 5.767 15.410 ( -3.217 -0.474 -2.887) 4.348 15.757 ( 0.217 0.497 10.189) 10.204 15.869 ( 2.538 -10.671 11.482) 15.879 16.057 ( 3.038 4.961 7.227) 9.277 16.206 ( 4.335 -9.801 1.958) 10.894 16.330 ( 2.056 9.008 5.887) 10.956 16.364 ( 4.200 5.524 7.891) 10.508 16.654 ( 2.043 6.226 -2.804) 7.127 16.736 ( 4.518 5.841 2.873) 7.924 16.852 ( 3.732 -10.737 9.302) 14.688 16.898 ( 5.795 -6.099 -8.796) 12.172 17.095 ( -0.040 0.837 7.679) 7.724 17.150 ( 4.596 -0.398 17.759) 18.349 17.366 ( 0.310 7.866 6.510) 10.215 17.417 ( 1.838 10.427 -10.211) 14.709 17.533 ( 0.858 -2.357 -5.708) 6.235 17.772 ( -8.094 -30.156 8.129) 32.264 18.338 ( -16.079 6.230 7.407) 18.768 18.451 ( -19.374 -5.439 3.112) 20.362 18.621 ( -10.246 9.633 0.905) 14.092 18.734 ( -12.769 2.610 -10.275) 16.596 19.702 ( 1.809 1.588 8.305) 8.647 19.784 ( 4.526 -6.848 -7.406) 11.056 20.123 ( 0.520 9.823 -16.192) 18.946 20.293 ( -3.956 -7.696 -13.659) 16.169 20.620 ( -1.769 1.916 0.411) 2.640 20.686 ( -5.982 -3.629 0.779) 7.040 20.792 ( -2.128 4.245 -6.588) 8.121 20.857 ( -3.658 -2.435 -6.748) 8.052 23.628 ( -21.862 0.579 2.400) 22.001 23.647 ( -22.102 -1.303 2.788) 22.315 23.673 ( -14.691 1.010 0.134) 14.726 23.697 ( -15.520 -1.384 0.475) 15.589 23.806 ( -16.394 4.072 2.725) 17.111 23.863 ( -17.915 3.469 0.202) 18.249 23.899 ( -14.127 -5.141 2.232) 15.199 23.945 ( -14.686 -4.617 0.112) 15.395 24.416 ( 2.781 7.449 1.401) 8.074 24.444 ( 4.078 7.874 -0.708) 8.896 24.557 ( 5.524 -6.190 0.577) 8.316 24.575 ( 6.256 -3.153 -1.068) 7.087 24.788 ( -2.155 21.865 -2.755) 22.143 24.905 ( -7.356 41.478 -10.241) 43.353 25.150 ( 6.813 2.342 -0.115) 7.206 25.177 ( 8.481 0.158 0.986) 8.539 25.193 ( 5.110 -3.335 -0.608) 6.133 25.220 ( 5.233 6.162 -1.290) 8.187 25.346 ( 1.261 -22.462 6.667) 23.464 25.995 ( -12.820 -46.772 -27.197) 55.602 26.277 ( -4.012 15.631 18.995) 24.925 26.494 ( -3.814 -7.963 19.248) 21.176 27.137 ( -6.315 10.071 -4.746) 12.800 27.201 ( 0.553 0.462 14.452) 14.470 27.214 ( 0.629 -1.249 11.320) 11.406 27.217 ( 1.165 -0.753 13.399) 13.471 27.300 ( -2.154 7.315 -8.305) 11.275 27.460 ( -7.876 -6.942 -24.628) 26.772 27.979 ( -7.025 2.399 -6.580) 9.920 28.039 ( -6.957 -3.836 -11.627) 14.082 28.200 ( -7.396 4.703 -18.042) 20.058 28.283 ( -9.497 -3.908 -18.982) 21.582 29.418 ( -8.868 7.803 17.493) 21.108 29.602 ( -13.539 -11.281 17.213) 24.634 29.901 ( -18.170 2.613 -4.432) 18.884 29.917 ( -19.489 2.124 4.080) 20.024 31.273 ( -27.367 4.230 27.707) 39.173 31.416 ( -23.639 -11.418 13.323) 29.439 31.812 ( -7.327 4.539 -5.040) 9.984 31.859 ( -0.108 -1.234 -4.809) 4.966 32.203 ( 14.386 2.409 -0.400) 14.592 32.225 ( 16.491 -0.217 -1.322) 16.546 32.330 ( 10.454 0.216 -5.594) 11.858 32.338 ( 13.187 -0.304 -6.265) 14.603 32.613 ( 18.444 4.678 -0.989) 19.053 32.687 ( 19.692 -2.258 -4.948) 20.430 32.735 ( 23.553 1.278 -6.830) 24.556 32.774 ( 18.512 -2.598 -8.218) 20.420 33.256 ( 4.430 0.629 3.652) 5.776 33.277 ( 6.713 -1.258 2.948) 7.439 33.318 ( 7.761 1.327 1.118) 7.953 33.334 ( 10.604 -0.389 0.720) 10.635 33.839 ( -0.573 6.404 5.114) 8.215 33.937 ( 0.129 11.196 6.786) 13.092 34.001 ( 0.023 1.600 6.855) 7.039 34.413 ( -1.136 -24.660 -7.757) 25.876 ======================= Grid point 65 (28/40) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 23.467 16.227 22.149) 36.119 2.626 ( 4.581 6.481 24.107) 25.380 2.722 ( 3.508 -2.593 25.693) 26.061 2.966 ( 17.832 -23.334 17.655) 34.266 3.041 ( 5.290 1.524 18.579) 19.377 3.148 ( 6.107 -9.083 17.799) 20.895 3.390 ( 6.565 5.076 4.193) 9.298 3.491 ( 8.868 -5.077 -2.985) 10.646 3.541 ( 18.337 2.446 -0.179) 18.500 3.588 ( 25.989 -3.455 6.864) 27.102 3.793 ( 20.861 7.821 5.543) 22.958 3.811 ( 23.935 6.379 7.875) 25.992 3.899 ( 28.931 1.805 8.282) 30.147 3.995 ( 15.235 -5.963 10.807) 19.608 4.133 ( 1.213 1.339 5.248) 5.550 4.196 ( 10.602 -3.655 2.071) 11.404 4.275 ( 12.007 4.194 -0.475) 12.728 4.361 ( 17.445 -3.134 -0.296) 17.727 4.546 ( 8.627 6.138 -0.024) 10.588 4.619 ( 8.521 0.277 -1.489) 8.655 4.755 ( 36.518 2.062 -2.079) 36.635 4.836 ( 30.337 -4.416 -6.115) 31.261 4.875 ( 18.278 6.851 0.337) 19.523 5.015 ( 14.743 0.703 -2.980) 15.058 5.025 ( 24.674 -3.369 -1.364) 24.940 5.090 ( 18.498 -3.035 -0.360) 18.749 5.201 ( 18.076 9.047 -6.837) 21.338 5.220 ( 13.320 2.998 -4.431) 14.355 5.354 ( 8.922 -2.158 3.087) 9.685 5.453 ( 22.073 -0.102 -0.633) 22.083 5.499 ( 14.564 -12.682 4.121) 19.747 5.537 ( 19.023 -6.130 0.764) 20.001 5.717 ( 14.365 6.589 -1.488) 15.874 5.824 ( 9.251 -3.949 -3.247) 10.570 5.884 ( 10.135 4.038 -6.778) 12.844 5.939 ( 10.288 -1.199 -8.928) 13.674 6.272 ( 24.709 1.196 5.072) 25.252 6.337 ( 23.395 -3.896 7.849) 24.982 6.458 ( 21.495 7.244 2.864) 22.863 6.565 ( 14.274 -3.598 3.132) 15.050 6.653 ( -4.654 0.603 3.827) 6.055 6.706 ( -5.708 -4.148 4.468) 8.351 6.820 ( -5.323 7.353 4.844) 10.289 6.941 ( -4.882 1.478 5.578) 7.559 6.994 ( 0.551 -1.653 -3.927) 4.296 7.017 ( 4.574 1.941 -11.421) 12.455 7.091 ( -1.263 -0.271 -7.874) 7.979 7.144 ( -7.405 1.079 5.227) 9.128 7.170 ( 3.174 -1.795 0.139) 3.649 7.227 ( -1.084 -0.865 6.784) 6.924 7.276 ( 5.585 -1.057 1.119) 5.793 7.361 ( 0.819 -6.247 1.428) 6.460 7.507 ( -4.352 3.618 4.035) 6.951 7.532 ( 0.408 0.709 1.121) 1.388 7.634 ( -1.567 0.506 -0.495) 1.720 7.690 ( -6.750 -1.153 -1.575) 7.026 7.691 ( -0.424 0.454 6.444) 6.474 7.770 ( -2.987 -5.425 -0.196) 6.196 7.904 ( -4.839 3.093 -4.290) 7.168 7.946 ( -8.289 0.092 -6.869) 10.766 8.032 ( 3.175 -0.255 -4.820) 5.777 8.049 ( 1.377 -1.687 -2.262) 3.140 8.292 ( 5.101 4.364 5.096) 8.428 8.333 ( 6.547 0.715 1.941) 6.866 8.356 ( 8.603 3.335 -3.998) 10.055 8.399 ( 6.026 -0.841 -9.077) 10.928 8.533 ( 0.848 4.349 -10.900) 11.766 8.656 ( -2.238 -5.871 -1.725) 6.515 8.776 ( -0.865 4.073 -2.412) 4.812 8.838 ( 6.419 1.733 -2.155) 6.989 8.903 ( -10.091 -3.767 5.495) 12.092 8.954 ( 1.834 -3.055 -4.208) 5.514 9.110 ( -2.821 3.669 -5.227) 6.981 9.125 ( -1.903 -3.325 -6.277) 7.354 9.249 ( -3.544 0.972 -9.671) 10.346 9.307 ( -3.695 -1.912 -8.532) 9.492 9.461 ( -3.068 4.519 -2.913) 6.191 9.569 ( -0.772 -6.027 -1.899) 6.366 9.636 ( -6.348 5.464 -7.471) 11.224 9.716 ( -6.754 -0.721 -7.130) 9.847 9.760 ( -7.481 2.378 -0.882) 7.899 9.859 ( -10.133 0.905 -2.160) 10.401 9.874 ( -10.823 -4.561 -0.947) 11.783 9.972 ( -11.606 -7.862 -2.340) 14.212 10.229 ( -9.066 10.758 7.064) 15.742 10.311 ( -6.189 4.556 5.289) 9.329 10.374 ( -6.350 -2.762 6.135) 9.252 10.428 ( -5.372 -4.931 4.649) 8.648 10.524 ( -4.321 5.241 5.272) 8.599 10.663 ( -3.067 -1.637 4.507) 5.692 10.754 ( -1.001 -1.003 3.164) 3.467 10.835 ( -0.948 0.869 -1.515) 1.987 10.884 ( -1.814 -1.356 -0.663) 2.360 10.938 ( -1.423 -5.629 -0.207) 5.810 11.041 ( -6.979 -4.091 -6.340) 10.278 11.054 ( -9.945 -2.769 -6.483) 12.190 11.174 ( -0.810 5.598 2.454) 6.166 11.247 ( -0.501 -1.222 -0.490) 1.409 11.310 ( 0.469 2.269 -1.897) 2.994 11.339 ( -1.818 -0.187 -2.783) 3.329 11.421 ( -0.727 7.058 -0.763) 7.136 11.499 ( -0.948 -1.147 -0.004) 1.488 11.540 ( -9.825 0.622 -2.159) 10.079 11.616 ( -2.072 -4.698 -1.195) 5.272 11.851 ( 0.544 3.324 3.011) 4.518 11.875 ( 1.669 0.070 3.736) 4.093 12.068 ( 6.879 0.430 -6.012) 9.146 12.094 ( 7.668 -2.775 -2.758) 8.608 12.249 ( 12.533 4.567 1.550) 13.429 12.377 ( 13.234 -7.869 -2.321) 15.571 12.439 ( 2.720 6.290 -2.875) 7.432 12.549 ( 9.885 -2.720 -4.901) 11.363 12.738 ( 1.954 9.963 1.767) 10.305 12.887 ( 9.872 -2.290 -2.044) 10.338 12.900 ( 0.422 -2.472 -2.225) 3.353 12.983 ( 4.546 -7.143 -1.401) 8.582 13.536 ( -0.067 5.563 -0.301) 5.572 13.625 ( -1.276 -2.893 -0.530) 3.206 13.776 ( 2.869 1.375 -9.897) 10.396 13.811 ( 2.837 -1.999 -10.202) 10.777 14.158 ( 16.647 -0.713 -1.971) 16.778 14.170 ( 5.651 -0.847 -0.023) 5.714 14.240 ( 4.178 1.157 -3.644) 5.663 14.265 ( 9.356 -1.113 -4.889) 10.615 14.637 ( 9.980 4.559 4.711) 11.941 14.741 ( 10.061 -1.230 9.071) 13.603 14.874 ( 3.285 2.554 0.555) 4.198 14.957 ( -12.547 -2.098 3.130) 13.101 15.240 ( 2.609 2.718 -2.981) 4.804 15.250 ( 0.142 1.919 -4.530) 4.922 15.311 ( -0.374 3.761 -3.801) 5.360 15.536 ( 15.573 -17.473 -12.169) 26.380 15.793 ( 5.533 6.444 11.628) 14.399 15.956 ( 5.271 -9.972 11.715) 16.262 16.142 ( 4.476 6.142 1.055) 7.672 16.311 ( 4.321 -10.819 -3.744) 12.237 16.409 ( 5.995 7.897 4.094) 10.727 16.501 ( 8.494 2.395 13.788) 16.370 16.709 ( 3.321 8.221 -2.372) 9.178 16.843 ( 5.775 7.292 0.982) 9.354 16.930 ( 0.697 -7.284 -1.935) 7.569 17.031 ( 5.957 -2.171 -1.651) 6.552 17.050 ( -2.746 9.169 -0.794) 9.605 17.212 ( 1.253 -3.668 11.261) 11.910 17.397 ( 2.527 -7.219 9.307) 12.047 17.466 ( -3.371 3.986 4.772) 7.073 17.533 ( -7.696 -13.092 6.283) 16.435 17.596 ( 5.097 -2.465 0.869) 5.728 17.951 ( -17.956 1.196 4.419) 18.531 17.982 ( -21.149 -2.764 6.196) 22.210 18.337 ( -15.619 7.830 1.046) 17.503 18.419 ( -16.490 0.954 -7.650) 18.203 19.864 ( 15.126 4.354 -2.083) 15.877 19.963 ( 12.428 -5.617 -10.039) 16.935 20.136 ( 2.256 2.972 -13.588) 14.091 20.193 ( -3.459 -2.869 -11.608) 12.447 20.628 ( 2.516 -1.216 1.116) 3.008 20.634 ( 4.636 -1.540 3.947) 6.281 20.815 ( 7.207 6.261 -7.626) 12.218 20.919 ( 9.604 -4.538 -9.234) 14.075 23.038 ( -33.408 0.752 8.926) 34.588 23.061 ( -32.777 -1.696 7.969) 33.774 23.205 ( -28.553 2.633 3.263) 28.860 23.259 ( -26.349 -3.229 1.065) 26.567 23.389 ( -22.756 2.799 -0.063) 22.928 23.405 ( -25.054 3.114 1.317) 25.281 23.528 ( -21.937 -2.517 -1.369) 22.123 23.566 ( -21.886 -4.688 -1.658) 22.443 24.457 ( 0.759 8.973 1.197) 9.085 24.496 ( 0.662 10.461 -1.811) 10.637 24.630 ( 1.331 -3.375 0.041) 3.628 24.651 ( 0.902 1.590 -1.916) 2.649 24.725 ( -3.610 18.026 -2.193) 18.514 24.764 ( -4.935 21.608 -3.570) 22.450 25.163 ( -5.156 -20.835 2.217) 21.578 25.297 ( 2.041 -10.747 -3.041) 11.354 25.357 ( 8.464 4.844 0.830) 9.788 25.363 ( 8.463 3.765 1.091) 9.327 25.457 ( 8.365 -5.516 1.891) 10.197 25.694 ( -11.164 -30.651 -9.527) 33.984 26.191 ( -4.589 11.858 12.473) 17.811 26.380 ( -6.636 -6.793 15.711) 18.358 26.887 ( -16.100 17.690 -17.993) 29.931 27.132 ( -13.100 -8.507 -14.004) 20.978 27.205 ( -0.470 0.546 11.486) 11.508 27.228 ( -0.025 -1.414 11.008) 11.098 27.283 ( -0.215 0.886 7.248) 7.305 27.295 ( -2.602 -0.352 3.981) 4.769 27.788 ( -10.794 1.938 -5.019) 12.060 27.839 ( -11.550 -3.381 -8.065) 14.487 27.970 ( -13.718 2.903 -13.660) 19.575 28.014 ( -15.158 -1.716 -14.495) 21.044 29.285 ( -2.631 3.936 12.899) 13.741 29.380 ( -6.476 -5.778 14.663) 17.039 29.568 ( -10.808 1.744 2.745) 11.287 29.583 ( -9.930 0.699 7.056) 12.202 30.721 ( -25.670 4.945 28.802) 38.897 30.878 ( -27.168 -12.023 14.060) 32.868 31.418 ( -26.498 12.500 -10.556) 31.142 31.597 ( -23.424 -6.674 -14.641) 28.418 32.538 ( 17.028 1.160 2.232) 17.213 32.570 ( 19.341 -2.012 3.684) 19.791 32.702 ( 21.851 5.328 -6.102) 23.304 32.813 ( 22.710 -5.589 -8.956) 25.044 33.023 ( 19.557 2.344 2.843) 19.902 33.053 ( 16.821 -0.501 0.616) 16.840 33.161 ( 16.336 -0.007 -3.022) 16.613 33.204 ( 16.458 -4.772 -3.809) 17.554 33.369 ( 7.746 3.398 5.734) 10.219 33.438 ( 9.838 -3.066 7.167) 12.552 33.591 ( 16.734 6.196 -4.714) 18.456 33.661 ( 17.770 -2.116 -2.603) 18.084 33.872 ( 4.044 2.544 3.483) 5.913 33.926 ( 1.028 -1.861 8.405) 8.669 34.104 ( 7.632 14.267 -4.984) 16.931 34.423 ( 1.883 -16.118 -14.173) 21.546 ======================= Grid point 66 (29/40) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 11.422 5.013 11.051) 16.665 2.873 ( 11.120 -4.905 13.145) 17.903 2.970 ( 12.329 10.388 7.166) 17.642 3.135 ( 6.357 -3.439 4.798) 8.676 3.318 ( 18.081 -4.355 15.139) 23.981 3.375 ( 13.758 -7.913 9.282) 18.386 3.538 ( 5.355 2.511 5.535) 8.100 3.645 ( 8.166 -8.804 -0.876) 12.040 3.751 ( 2.728 10.249 6.705) 12.548 3.896 ( -0.556 -4.868 -0.101) 4.900 4.090 ( 5.582 4.262 -0.887) 7.079 4.147 ( 5.556 1.578 4.881) 7.562 4.166 ( 10.368 1.362 1.879) 10.624 4.253 ( 8.849 -2.938 2.747) 9.720 4.316 ( 0.709 4.226 0.529) 4.318 4.348 ( 5.935 0.640 2.636) 6.525 4.385 ( 9.195 -0.137 6.347) 11.174 4.436 ( 8.991 -5.871 10.931) 15.323 4.718 ( 7.935 8.334 0.703) 11.529 4.783 ( 8.129 4.158 6.841) 11.409 4.979 ( 1.935 1.020 -4.773) 5.250 5.061 ( 3.554 -5.295 -3.394) 7.224 5.225 ( 5.924 2.299 -13.049) 14.514 5.257 ( 3.749 -1.840 -10.102) 10.931 5.307 ( 5.379 0.854 3.831) 6.659 5.379 ( 5.579 -5.633 5.630) 9.724 5.566 ( 1.015 4.975 -1.525) 5.301 5.650 ( 18.752 4.633 -3.477) 19.627 5.679 ( 1.725 -2.865 1.896) 3.844 5.762 ( 20.288 -6.561 -1.004) 21.346 5.794 ( 14.066 -0.534 0.697) 14.094 5.880 ( 10.214 -7.538 -2.526) 12.943 6.123 ( 23.722 2.049 3.272) 24.034 6.175 ( 21.173 -1.251 1.142) 21.241 6.271 ( 4.706 -0.357 7.100) 8.526 6.316 ( -8.655 -2.751 7.812) 11.979 6.469 ( 1.918 3.459 3.318) 5.163 6.512 ( 11.594 0.595 4.417) 12.422 6.629 ( 9.246 2.503 0.427) 9.589 6.663 ( 5.950 -1.560 5.218) 8.067 6.848 ( 3.805 4.269 2.824) 6.378 6.850 ( 11.776 0.262 -2.812) 12.110 6.966 ( 12.430 2.498 1.011) 12.718 6.985 ( 3.120 1.478 10.121) 10.693 7.028 ( 1.063 2.932 10.428) 10.885 7.072 ( 1.655 -2.391 1.954) 3.503 7.142 ( 8.710 0.637 -1.655) 8.889 7.176 ( -2.343 -0.732 3.910) 4.617 7.300 ( 16.799 2.155 2.448) 17.113 7.370 ( 19.734 -1.982 4.009) 20.234 7.392 ( 10.889 2.059 1.914) 11.246 7.515 ( 12.244 -4.793 -0.891) 13.179 7.570 ( 2.259 -0.260 -2.249) 3.198 7.579 ( 7.048 -3.352 -6.189) 9.961 7.677 ( 5.716 -0.545 3.675) 6.817 7.701 ( 0.549 -2.593 0.364) 2.676 7.763 ( 4.281 3.092 -3.163) 6.156 7.822 ( 12.969 -2.181 -1.574) 13.245 7.855 ( 12.648 4.251 0.900) 13.374 7.946 ( 13.419 -3.784 -4.880) 14.772 8.081 ( 4.349 4.637 4.766) 7.946 8.152 ( 8.165 -2.918 -1.981) 8.894 8.348 ( -4.058 2.849 3.524) 6.083 8.415 ( 1.391 -2.770 1.471) 3.430 8.460 ( 4.702 -0.653 -6.193) 7.803 8.492 ( -1.698 -3.952 -4.664) 6.345 8.587 ( 1.754 6.776 -6.347) 9.449 8.671 ( 4.297 -0.646 -1.130) 4.490 8.734 ( 3.424 4.480 7.650) 9.503 8.804 ( 1.684 -4.357 5.615) 7.304 8.921 ( 0.437 1.589 -1.221) 2.051 8.951 ( -7.970 1.979 -3.616) 8.973 9.005 ( 1.549 -0.387 -3.324) 3.688 9.063 ( -8.233 3.530 -7.071) 11.413 9.143 ( 1.011 -5.283 -6.478) 8.420 9.220 ( -7.139 -7.061 -7.871) 12.758 9.377 ( -5.385 4.869 -2.064) 7.547 9.423 ( -7.743 1.613 -2.177) 8.203 9.482 ( -8.256 0.317 -4.955) 9.634 9.506 ( -11.496 -0.255 -3.794) 12.109 9.617 ( -7.602 2.607 -2.434) 8.397 9.673 ( -6.975 2.049 -4.677) 8.645 9.730 ( -5.693 -1.841 -3.557) 6.961 9.781 ( -6.160 -10.404 -6.496) 13.726 9.997 ( -12.590 11.583 4.705) 17.743 10.138 ( -11.367 7.065 2.099) 13.547 10.184 ( -10.019 -2.658 2.532) 10.671 10.307 ( -8.844 -2.453 -0.188) 9.180 10.464 ( -0.704 1.240 3.651) 3.920 10.570 ( -4.112 -7.692 5.515) 10.319 10.737 ( -1.935 1.783 0.131) 2.635 10.807 ( -5.371 2.340 1.138) 5.969 10.823 ( -1.297 -2.087 -1.144) 2.710 10.851 ( -6.014 0.687 -1.664) 6.278 10.885 ( -2.551 -5.138 -3.015) 6.481 10.975 ( -1.029 -6.360 -3.649) 7.404 11.120 ( -3.927 1.291 -2.244) 4.703 11.178 ( -3.856 -2.220 -2.608) 5.158 11.291 ( -1.226 4.889 -2.811) 5.771 11.313 ( -1.695 1.575 -3.113) 3.879 11.336 ( -7.311 1.312 -5.293) 9.120 11.439 ( -2.318 -3.794 0.027) 4.446 11.441 ( -1.080 4.542 -5.993) 7.597 11.544 ( -5.207 -0.634 -2.866) 5.977 11.941 ( 8.810 6.745 4.329) 11.911 12.016 ( 11.258 -1.297 1.123) 11.387 12.250 ( 9.349 -1.956 -7.551) 12.176 12.280 ( 10.057 -4.572 -5.675) 12.420 12.455 ( -0.223 10.908 0.130) 10.911 12.481 ( 7.416 6.095 -2.997) 10.056 12.620 ( 3.203 -4.973 0.502) 5.936 12.682 ( 5.641 -10.641 -2.431) 12.287 12.877 ( 8.688 1.557 3.903) 9.650 12.955 ( 11.257 -4.463 6.516) 13.751 13.101 ( 11.656 7.183 -6.392) 15.110 13.230 ( 11.538 -5.973 -6.977) 14.747 13.515 ( -1.337 3.814 -1.158) 4.204 13.564 ( -2.991 0.539 -0.102) 3.040 13.781 ( -1.406 1.281 -10.274) 10.448 13.847 ( -0.963 -4.993 -11.088) 12.198 14.176 ( -1.419 7.413 2.671) 8.006 14.314 ( 0.214 -6.427 2.679) 6.966 14.353 ( 6.137 5.516 -8.814) 12.074 14.470 ( 6.575 -6.149 -7.157) 11.501 14.642 ( -13.775 0.277 4.481) 14.488 14.650 ( -11.805 -0.632 3.362) 12.291 14.751 ( -2.523 7.765 -0.971) 8.222 14.932 ( -3.873 -10.841 -3.554) 12.048 15.320 ( 11.997 2.453 7.087) 14.149 15.340 ( 9.623 0.515 3.835) 10.372 15.554 ( 12.966 7.111 -2.808) 15.052 15.669 ( 1.817 -3.758 1.614) 4.475 15.922 ( 2.670 3.125 8.734) 9.653 16.053 ( 1.936 -10.184 9.222) 13.875 16.160 ( -4.018 7.282 -0.378) 8.326 16.338 ( -2.603 -11.448 -3.749) 12.324 16.585 ( 8.709 9.797 2.358) 13.319 16.695 ( 9.092 -1.501 5.158) 10.560 16.774 ( -0.612 5.809 -4.565) 7.413 16.827 ( -0.919 5.337 4.321) 6.929 16.971 ( 0.176 0.043 -1.238) 1.251 17.072 ( 8.134 -2.783 -8.365) 11.995 17.126 ( 2.345 7.445 -2.234) 8.119 17.255 ( -1.871 0.770 4.078) 4.552 17.272 ( 0.443 -9.546 3.061) 10.034 17.453 ( 1.755 -11.504 1.802) 11.776 17.502 ( -2.943 3.250 11.915) 12.697 17.591 ( -9.875 -2.955 3.045) 10.748 17.720 ( 2.810 2.398 3.806) 5.304 17.778 ( -1.999 -2.166 3.430) 4.523 18.022 ( -13.282 4.462 0.886) 14.039 18.069 ( -15.733 -0.303 -3.355) 16.090 20.208 ( 13.236 1.904 -2.331) 13.574 20.257 ( 14.247 -3.010 -0.874) 14.588 20.345 ( 26.921 3.958 -8.071) 28.383 20.413 ( 24.490 -2.282 -6.301) 25.390 20.851 ( 19.237 -1.553 -0.125) 19.300 20.864 ( 17.563 -2.341 4.891) 18.381 21.115 ( 20.630 6.916 -10.825) 24.302 21.234 ( 20.077 -5.251 -11.380) 23.667 22.266 ( -39.256 1.531 13.868) 41.662 22.307 ( -38.444 -2.807 12.205) 40.432 22.524 ( -35.639 5.087 6.843) 36.645 22.621 ( -33.826 -5.125 3.378) 34.378 22.794 ( -32.483 3.858 -2.072) 32.776 22.839 ( -30.486 -0.655 -3.768) 30.725 22.986 ( -29.255 0.187 -5.435) 29.756 23.034 ( -28.523 -3.858 -5.415) 29.288 24.452 ( -0.793 10.937 1.099) 11.021 24.488 ( -0.979 13.310 -1.127) 13.393 24.584 ( -3.915 19.070 -0.207) 19.469 24.635 ( -2.797 8.999 -2.553) 9.764 24.689 ( 0.490 -4.611 -0.725) 4.693 24.716 ( 0.235 -6.521 -1.812) 6.772 25.015 ( -8.099 -20.133 1.537) 21.755 25.144 ( -12.783 -25.734 -4.965) 29.160 25.544 ( 9.009 5.172 1.542) 10.502 25.557 ( 10.583 6.150 1.364) 12.315 25.656 ( 10.118 -4.037 1.339) 10.976 25.704 ( 9.237 -7.246 0.089) 11.741 26.076 ( -6.381 8.880 7.946) 13.517 26.228 ( -7.839 -5.275 11.255) 14.695 26.519 ( -18.049 16.052 -12.225) 27.072 26.760 ( -19.842 -9.205 -13.432) 25.668 27.197 ( 0.112 1.318 8.371) 8.474 27.226 ( 0.211 -1.560 7.614) 7.775 27.283 ( 0.281 0.393 6.715) 6.733 27.288 ( 0.759 -0.071 6.205) 6.252 27.551 ( -11.078 1.330 -2.672) 11.473 27.586 ( -11.693 -2.383 -4.580) 12.782 27.676 ( -13.269 1.707 -8.012) 15.594 27.699 ( -13.798 -0.858 -8.605) 16.284 29.300 ( 3.460 0.501 9.195) 9.837 29.310 ( -0.121 -0.403 12.765) 12.772 29.481 ( 2.155 3.733 -0.394) 4.328 29.556 ( 6.425 -3.590 -0.629) 7.387 30.211 ( -21.943 3.164 22.684) 31.719 30.320 ( -24.753 -8.888 11.463) 28.690 30.808 ( -29.804 13.014 -10.465) 34.164 31.006 ( -30.528 -7.803 -15.183) 34.977 32.904 ( 16.607 2.377 4.402) 17.344 32.959 ( 16.812 -3.102 5.397) 17.928 33.126 ( 17.604 5.002 -6.432) 19.399 33.225 ( 16.184 -4.493 -6.854) 18.140 33.303 ( 6.775 1.020 2.103) 7.167 33.331 ( 6.999 -1.589 2.365) 7.556 33.394 ( 8.358 2.907 -0.593) 8.869 33.466 ( 9.185 -4.366 -2.397) 10.449 33.634 ( 15.259 1.630 5.357) 16.254 33.690 ( 13.018 -2.894 9.312) 16.265 33.913 ( 9.864 3.269 0.891) 10.430 33.963 ( 5.913 -2.254 7.709) 9.973 33.994 ( 9.816 3.732 -2.388) 10.770 34.049 ( 13.237 -2.097 -5.411) 14.453 34.257 ( 5.889 10.482 -8.184) 14.544 34.463 ( 1.146 -9.666 -14.332) 17.325 ======================= Grid point 67 (30/40) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 14.008 2.170 2.890) 14.466 3.121 ( 9.962 -4.444 4.627) 11.850 3.165 ( 6.516 3.947 -1.060) 7.692 3.241 ( -0.172 -3.197 -0.195) 3.207 3.531 ( 0.805 8.262 2.034) 8.547 3.569 ( -1.456 4.507 2.914) 5.561 3.638 ( 2.065 -2.373 1.521) 3.494 3.714 ( 7.816 -4.332 5.133) 10.306 3.797 ( -3.641 1.454 -6.436) 7.536 3.890 ( 8.897 -5.841 -1.811) 10.796 4.011 ( -7.668 1.170 -5.237) 9.359 4.120 ( -7.585 -8.256 -8.824) 14.267 4.253 ( 6.258 6.589 6.848) 11.378 4.353 ( -0.876 5.629 6.230) 8.442 4.425 ( 3.175 -6.902 6.591) 10.058 4.462 ( 2.580 -5.164 6.415) 8.630 4.642 ( 13.207 2.701 13.093) 18.792 4.689 ( 13.467 -1.322 14.244) 19.647 4.850 ( 1.145 9.021 -0.146) 9.094 4.908 ( -4.700 1.757 10.986) 12.078 4.965 ( 7.504 10.742 1.731) 13.218 5.141 ( 3.566 -4.652 2.994) 6.582 5.291 ( -5.373 -1.908 -0.076) 5.702 5.333 ( -4.855 -3.497 -5.008) 7.803 5.397 ( 7.070 -0.901 -0.466) 7.142 5.432 ( 8.942 -3.006 -6.227) 11.304 5.597 ( 5.421 3.373 -7.136) 9.575 5.617 ( 1.025 1.715 -4.160) 4.615 5.737 ( -4.520 -5.050 -2.342) 7.171 5.753 ( -17.005 -9.470 2.710) 19.652 5.899 ( -9.290 0.945 -5.027) 10.605 5.950 ( -9.583 -3.559 2.026) 10.421 6.212 ( 13.986 1.382 13.869) 19.745 6.246 ( 16.045 -1.130 15.881) 22.603 6.404 ( 1.994 2.646 12.536) 12.967 6.467 ( 2.150 -2.967 10.775) 11.381 6.698 ( 0.718 2.978 10.135) 10.588 6.735 ( -2.642 0.678 12.481) 12.775 6.802 ( -0.349 6.938 7.624) 10.314 6.852 ( 5.434 2.304 2.388) 6.367 6.902 ( 13.739 3.490 2.988) 14.487 6.921 ( -1.394 2.000 5.961) 6.440 6.939 ( 5.541 0.978 13.677) 14.789 6.995 ( 1.354 0.351 -0.684) 1.557 7.016 ( 6.103 -2.293 3.192) 7.259 7.084 ( -0.122 -4.488 -5.935) 7.441 7.224 ( -0.816 4.542 -3.404) 5.735 7.279 ( -7.950 -1.686 0.256) 8.131 7.447 ( -7.799 2.806 1.846) 8.491 7.498 ( -5.175 4.758 -0.719) 7.066 7.569 ( 6.640 -2.737 -3.998) 8.220 7.588 ( 4.860 -5.762 -3.023) 8.122 7.700 ( 12.541 -2.778 -5.555) 13.995 7.736 ( 3.405 -4.355 -5.198) 7.588 7.829 ( 0.042 1.212 -3.372) 3.583 7.878 ( 0.889 -1.212 -6.978) 7.138 8.038 ( 23.397 4.174 1.912) 23.844 8.129 ( 18.128 -0.024 -0.633) 18.139 8.162 ( 9.598 1.278 2.184) 9.926 8.224 ( 7.901 1.925 -0.288) 8.138 8.264 ( 5.837 -6.562 -1.451) 8.902 8.322 ( -3.894 -5.585 2.473) 7.244 8.432 ( -4.828 2.795 -4.388) 7.098 8.478 ( 0.762 -2.385 -1.562) 2.951 8.556 ( 18.029 1.132 1.238) 18.107 8.586 ( 15.917 -1.905 1.440) 16.095 8.666 ( 8.995 4.163 1.360) 10.005 8.737 ( 5.205 -1.828 3.648) 6.613 8.786 ( -3.347 1.347 -8.615) 9.340 8.843 ( -6.810 -2.936 -7.046) 10.230 8.872 ( 1.116 0.552 -1.667) 2.081 8.885 ( -3.904 -1.015 -3.617) 5.418 8.971 ( 3.599 3.947 -0.878) 5.413 9.013 ( 5.431 5.207 0.602) 7.548 9.093 ( -1.461 0.836 -1.288) 2.120 9.125 ( -3.864 -2.269 0.339) 4.494 9.202 ( -11.243 0.497 -0.075) 11.255 9.256 ( -10.724 2.119 -1.757) 11.071 9.321 ( -2.643 -4.037 -3.407) 5.907 9.352 ( -8.427 -2.762 -5.166) 10.264 9.498 ( -0.005 2.658 1.858) 3.243 9.549 ( 0.596 0.736 0.195) 0.967 9.658 ( -10.564 9.016 2.365) 14.088 9.728 ( -0.542 -0.054 -5.504) 5.531 9.812 ( 5.460 -1.366 -2.066) 5.995 9.854 ( -10.282 -0.502 3.226) 10.788 9.961 ( -10.950 1.561 -4.100) 11.796 10.065 ( -13.419 -3.177 -2.527) 14.019 10.502 ( 4.429 -0.061 2.364) 5.021 10.541 ( 1.373 -3.075 4.251) 5.423 10.616 ( -5.727 1.034 1.759) 6.080 10.672 ( -8.254 -3.369 1.920) 9.119 10.803 ( 0.939 3.176 -1.844) 3.790 10.818 ( -0.317 -0.510 -3.851) 3.898 10.885 ( 1.507 -6.094 -5.938) 8.641 10.938 ( -2.737 -8.620 -5.741) 10.712 11.071 ( 1.107 6.807 0.098) 6.897 11.131 ( -1.980 3.264 -1.595) 4.137 11.212 ( -3.245 -2.042 -1.719) 4.202 11.240 ( -4.100 -1.813 -3.159) 5.484 11.307 ( 2.471 5.837 -4.899) 8.010 11.385 ( -4.131 4.313 -6.013) 8.475 11.424 ( 0.382 -5.689 -7.261) 9.232 11.450 ( -2.474 -1.494 -7.681) 8.207 12.199 ( 13.321 6.998 2.758) 15.298 12.257 ( 9.740 4.440 -0.457) 10.714 12.402 ( -1.107 7.204 -0.469) 7.304 12.453 ( 1.307 1.885 -0.443) 2.336 12.462 ( 5.588 0.130 -4.070) 6.914 12.507 ( -0.334 -4.240 -5.538) 6.983 12.642 ( -0.499 -7.224 -2.420) 7.634 12.674 ( -3.890 -9.224 -4.217) 10.863 13.136 ( 12.055 2.318 2.431) 12.515 13.205 ( 10.413 -2.796 4.601) 11.722 13.303 ( 0.031 3.452 -3.066) 4.617 13.329 ( -0.201 0.390 -3.678) 3.704 13.524 ( 4.350 4.184 -0.954) 6.111 13.594 ( 7.312 -3.356 -2.879) 8.545 13.693 ( -7.269 1.651 -6.275) 9.744 13.761 ( -6.903 -4.702 -7.693) 11.355 14.175 ( 2.619 7.927 4.928) 9.694 14.274 ( -3.843 0.687 5.420) 6.679 14.376 ( -5.973 -3.707 5.185) 8.735 14.416 ( -7.074 -5.398 3.394) 9.524 14.497 ( 4.486 5.049 -8.039) 10.500 14.588 ( 1.404 1.250 -11.135) 11.293 14.648 ( -1.862 -0.625 -7.089) 7.356 14.777 ( -8.517 -8.836 -12.291) 17.369 15.544 ( 7.646 5.403 7.568) 12.039 15.582 ( 10.252 3.472 9.018) 14.088 15.651 ( -1.586 5.203 5.886) 8.015 15.731 ( -0.699 0.351 1.823) 1.984 15.973 ( 3.630 -0.255 3.721) 5.205 16.021 ( -1.490 -6.564 5.098) 8.444 16.061 ( -2.210 -0.143 0.627) 2.302 16.192 ( -9.582 -10.831 -2.933) 14.756 16.711 ( 4.124 8.644 3.985) 10.374 16.759 ( 0.133 4.699 3.984) 6.162 16.828 ( 1.400 -1.379 2.868) 3.477 16.846 ( 2.067 -1.136 4.210) 4.826 17.029 ( 5.095 8.250 -5.577) 11.186 17.135 ( -2.242 10.291 -6.652) 12.457 17.228 ( 7.296 -4.000 0.606) 8.343 17.288 ( 4.135 0.023 -3.583) 5.471 17.341 ( 2.920 -7.649 -6.058) 10.185 17.382 ( -6.628 0.539 7.977) 10.385 17.447 ( -3.527 -9.136 3.594) 10.432 17.470 ( -4.023 -6.966 0.767) 8.081 17.759 ( 2.042 1.708 1.478) 3.045 17.770 ( 0.485 0.591 2.759) 2.863 17.824 ( -4.850 2.703 1.861) 5.856 17.840 ( -5.795 1.524 -1.285) 6.128 20.667 ( 30.230 2.441 9.237) 31.704 20.730 ( 30.528 -4.153 8.821) 32.047 20.978 ( 33.158 6.124 1.656) 33.760 21.074 ( 35.226 -3.495 -4.997) 35.750 21.348 ( 16.646 0.760 3.932) 17.121 21.371 ( 9.508 -1.510 2.493) 9.944 21.444 ( -3.241 0.057 4.230) 5.329 21.479 ( -34.864 -3.587 11.811) 36.985 21.674 ( 23.901 4.134 -8.551) 25.719 21.750 ( -33.765 6.731 6.158) 34.975 21.755 ( 23.903 -3.898 -10.329) 26.330 21.876 ( -35.622 -6.261 1.761) 36.211 22.074 ( -34.522 3.944 -1.566) 34.782 22.143 ( -34.536 -3.240 -5.877) 35.182 22.331 ( -32.429 2.735 -9.103) 33.793 22.396 ( -31.510 -3.587 -9.312) 33.053 24.443 ( 0.204 13.756 1.526) 13.842 24.463 ( -1.413 16.528 1.328) 16.642 24.533 ( -0.270 10.875 -2.005) 11.061 24.566 ( -2.931 11.530 -2.690) 12.197 24.736 ( 3.862 -12.680 -0.384) 13.261 24.759 ( 4.101 -12.736 -1.539) 13.468 24.852 ( -6.904 -15.813 0.183) 17.256 24.902 ( -9.395 -19.456 -2.248) 21.722 25.734 ( 8.996 6.349 2.966) 11.403 25.799 ( 11.833 6.402 1.124) 13.501 25.864 ( 9.433 -2.125 1.625) 9.805 25.909 ( -4.566 4.234 3.015) 6.918 25.986 ( 11.153 -2.555 0.614) 11.459 26.057 ( -7.107 -3.241 6.174) 9.957 26.161 ( -15.346 10.077 -4.790) 18.973 26.347 ( -18.934 -7.682 -6.449) 21.427 27.228 ( 3.203 1.339 4.162) 5.420 27.256 ( 3.133 -1.556 3.216) 4.751 27.308 ( 0.880 1.050 1.328) 1.908 27.325 ( 2.344 -0.674 1.176) 2.708 27.358 ( -5.109 0.815 1.465) 5.377 27.381 ( -6.701 -1.572 -0.298) 6.889 27.445 ( -8.397 1.124 -2.658) 8.879 27.461 ( -8.656 -0.650 -3.084) 9.212 29.384 ( 7.249 2.569 11.777) 14.065 29.441 ( 9.610 -3.053 6.524) 12.009 29.550 ( -1.639 5.282 3.065) 6.323 29.684 ( -5.051 -8.527 -1.872) 10.086 29.922 ( 0.723 3.732 8.620) 9.421 29.993 ( 4.378 -3.599 2.448) 6.174 30.235 ( -23.443 10.027 -6.812) 26.391 30.395 ( -26.359 -6.510 -11.234) 29.383 33.195 ( 10.590 2.254 4.895) 11.882 33.244 ( 9.899 -2.543 5.575) 11.642 33.337 ( -2.551 1.188 4.149) 5.013 33.368 ( -1.127 -1.692 3.893) 4.391 33.415 ( 8.426 3.771 -4.261) 10.167 33.485 ( 6.311 -1.066 -5.166) 8.225 33.508 ( 2.727 0.942 -3.197) 4.306 33.572 ( 0.709 -3.679 -3.989) 5.473 33.900 ( 8.987 0.160 5.188) 10.378 33.919 ( 7.886 -1.438 8.400) 11.611 33.996 ( -0.273 -0.072 5.751) 5.758 34.007 ( -0.678 -0.894 7.524) 7.607 34.222 ( 8.344 5.321 -6.680) 11.939 34.299 ( 6.804 0.153 -7.938) 10.456 34.324 ( 2.299 3.345 -7.791) 8.785 34.444 ( -3.458 -5.691 -11.123) 12.964 ======================= Grid point 81 (31/40) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 0.000 -8.711) 8.711 1.727 ( 0.000 0.000 8.711) 8.711 2.305 ( 0.000 0.000 -10.799) 10.799 2.305 ( 0.000 0.000 10.799) 10.799 2.475 ( 0.000 0.000 -22.257) 22.257 2.475 ( 0.000 0.000 22.257) 22.257 2.682 ( 0.000 0.000 -7.019) 7.019 2.682 ( 0.000 0.000 7.019) 7.019 3.125 ( 0.000 0.000 -5.012) 5.012 3.125 ( 0.000 0.000 5.012) 5.012 3.395 ( 0.000 0.000 -15.796) 15.796 3.395 ( 0.000 0.000 15.796) 15.796 3.552 ( 0.000 0.000 -15.870) 15.870 3.552 ( 0.000 0.000 15.870) 15.870 3.601 ( 0.000 0.000 -15.059) 15.059 3.601 ( 0.000 0.000 15.059) 15.059 4.086 ( 0.000 0.000 -21.301) 21.301 4.086 ( 0.000 0.000 21.301) 21.301 4.121 ( 0.000 0.000 -10.513) 10.513 4.121 ( 0.000 0.000 10.513) 10.513 4.170 ( 0.000 0.000 -32.807) 32.807 4.170 ( 0.000 0.000 32.807) 32.807 4.471 ( 0.000 0.000 -0.242) 0.242 4.471 ( 0.000 0.000 0.242) 0.242 4.672 ( 0.000 0.000 -3.578) 3.578 4.672 ( 0.000 0.000 3.578) 3.578 4.957 ( 0.000 0.000 -5.197) 5.197 4.957 ( 0.000 0.000 5.197) 5.197 5.118 ( 0.000 0.000 -10.224) 10.224 5.118 ( 0.000 0.000 10.224) 10.224 5.402 ( 0.000 0.000 -0.349) 0.349 5.402 ( 0.000 0.000 0.349) 0.349 5.585 ( 0.000 0.000 -3.903) 3.903 5.585 ( 0.000 0.000 3.903) 3.903 5.753 ( 0.000 0.000 -7.718) 7.718 5.753 ( 0.000 0.000 7.718) 7.718 5.839 ( 0.000 0.000 -9.123) 9.123 5.839 ( 0.000 0.000 9.123) 9.123 6.276 ( 0.000 0.000 -6.176) 6.176 6.276 ( 0.000 0.000 6.176) 6.176 6.538 ( 0.000 0.000 -0.455) 0.455 6.538 ( 0.000 0.000 0.455) 0.455 6.596 ( 0.000 0.000 -11.057) 11.057 6.596 ( 0.000 0.000 11.057) 11.057 7.028 ( 0.000 0.000 -2.152) 2.152 7.028 ( 0.000 0.000 2.152) 2.152 7.072 ( 0.000 0.000 -6.003) 6.003 7.072 ( 0.000 0.000 6.003) 6.003 7.448 ( 0.000 0.000 -1.800) 1.800 7.448 ( 0.000 0.000 1.800) 1.800 7.471 ( 0.000 0.000 -13.681) 13.681 7.471 ( 0.000 0.000 13.681) 13.681 7.688 ( 0.000 0.000 -16.960) 16.960 7.688 ( 0.000 0.000 16.960) 16.960 7.694 ( 0.000 0.000 -0.011) 0.011 7.694 ( 0.000 0.000 0.011) 0.011 7.816 ( 0.000 0.000 -2.317) 2.317 7.816 ( 0.000 0.000 2.317) 2.317 7.884 ( 0.000 0.000 -19.907) 19.907 7.884 ( 0.000 0.000 19.907) 19.907 8.056 ( 0.000 0.000 -2.371) 2.371 8.056 ( 0.000 0.000 2.371) 2.371 8.215 ( 0.000 0.000 -11.088) 11.088 8.215 ( 0.000 0.000 11.088) 11.088 8.265 ( 0.000 0.000 -16.633) 16.633 8.265 ( 0.000 0.000 16.633) 16.633 8.507 ( 0.000 0.000 -8.374) 8.374 8.507 ( 0.000 0.000 8.374) 8.374 8.727 ( 0.000 0.000 -3.124) 3.124 8.727 ( 0.000 0.000 3.124) 3.124 8.799 ( 0.000 0.000 -2.197) 2.197 8.799 ( 0.000 0.000 2.197) 2.197 8.928 ( 0.000 0.000 -17.863) 17.863 8.928 ( 0.000 0.000 17.863) 17.863 9.228 ( 0.000 0.000 -5.898) 5.898 9.228 ( 0.000 0.000 5.898) 5.898 9.602 ( 0.000 0.000 -4.693) 4.693 9.602 ( 0.000 0.000 4.693) 4.693 9.629 ( 0.000 0.000 -5.357) 5.357 9.629 ( 0.000 0.000 5.357) 5.357 10.185 ( 0.000 0.000 -10.419) 10.419 10.185 ( 0.000 0.000 10.419) 10.419 10.414 ( 0.000 0.000 -3.930) 3.930 10.414 ( 0.000 0.000 3.930) 3.930 10.450 ( 0.000 0.000 -9.228) 9.228 10.450 ( 0.000 0.000 9.228) 9.228 10.585 ( 0.000 0.000 -1.673) 1.673 10.585 ( 0.000 0.000 1.673) 1.673 10.775 ( 0.000 0.000 -2.417) 2.417 10.775 ( 0.000 0.000 2.417) 2.417 10.884 ( 0.000 0.000 -0.458) 0.458 10.884 ( 0.000 0.000 0.458) 0.458 11.015 ( 0.000 0.000 -1.892) 1.892 11.015 ( 0.000 0.000 1.892) 1.892 11.057 ( 0.000 0.000 -18.204) 18.204 11.057 ( 0.000 0.000 18.204) 18.204 11.164 ( 0.000 0.000 -2.607) 2.607 11.164 ( 0.000 0.000 2.607) 2.607 11.436 ( 0.000 0.000 -2.267) 2.267 11.436 ( 0.000 0.000 2.267) 2.267 11.473 ( 0.000 0.000 -6.719) 6.719 11.473 ( 0.000 0.000 6.719) 6.719 11.628 ( 0.000 0.000 -3.713) 3.713 11.628 ( 0.000 0.000 3.713) 3.713 11.803 ( 0.000 0.000 -4.672) 4.672 11.803 ( 0.000 0.000 4.672) 4.672 11.955 ( 0.000 0.000 -8.466) 8.466 11.955 ( 0.000 0.000 8.466) 8.466 12.002 ( 0.000 0.000 -0.414) 0.414 12.002 ( 0.000 0.000 0.414) 0.414 12.312 ( 0.000 0.000 -15.686) 15.686 12.312 ( 0.000 0.000 15.686) 15.686 12.741 ( 0.000 0.000 -0.693) 0.693 12.741 ( 0.000 0.000 0.693) 0.693 13.075 ( 0.000 0.000 -8.876) 8.876 13.075 ( 0.000 0.000 8.876) 8.876 13.319 ( 0.000 0.000 -5.981) 5.981 13.319 ( 0.000 0.000 5.981) 5.981 13.327 ( 0.000 0.000 -6.274) 6.274 13.327 ( 0.000 0.000 6.274) 6.274 13.948 ( 0.000 0.000 -2.146) 2.146 13.948 ( 0.000 0.000 2.146) 2.146 14.184 ( 0.000 0.000 -1.611) 1.611 14.184 ( 0.000 0.000 1.611) 1.611 14.293 ( 0.000 0.000 -7.659) 7.659 14.293 ( 0.000 0.000 7.659) 7.659 14.637 ( 0.000 0.000 -2.091) 2.091 14.637 ( 0.000 0.000 2.091) 2.091 15.392 ( 0.000 0.000 -1.623) 1.623 15.392 ( 0.000 0.000 1.623) 1.623 15.410 ( 0.000 0.000 -2.177) 2.177 15.410 ( 0.000 0.000 2.177) 2.177 15.991 ( 0.000 0.000 -12.351) 12.351 15.991 ( 0.000 0.000 12.351) 12.351 16.229 ( 0.000 0.000 -6.937) 6.937 16.229 ( 0.000 0.000 6.937) 6.937 16.345 ( 0.000 0.000 -10.247) 10.247 16.345 ( 0.000 0.000 10.247) 10.247 16.528 ( 0.000 0.000 -29.756) 29.756 16.528 ( 0.000 0.000 29.756) 29.756 16.799 ( 0.000 0.000 -10.810) 10.810 16.799 ( 0.000 0.000 10.810) 10.810 17.023 ( 0.000 0.000 -0.777) 0.777 17.023 ( 0.000 0.000 0.777) 0.777 17.516 ( 0.000 0.000 -3.369) 3.369 17.516 ( 0.000 0.000 3.369) 3.369 17.772 ( 0.000 0.000 -33.741) 33.741 17.772 ( 0.000 0.000 33.741) 33.741 18.591 ( 0.000 0.000 -6.867) 6.867 18.591 ( 0.000 0.000 6.867) 6.867 18.793 ( 0.000 0.000 -0.354) 0.354 18.793 ( 0.000 0.000 0.354) 0.354 19.754 ( 0.000 0.000 -2.928) 2.928 19.754 ( 0.000 0.000 2.928) 2.928 20.158 ( 0.000 0.000 -19.785) 19.785 20.158 ( 0.000 0.000 19.785) 19.785 20.617 ( 0.000 0.000 -1.470) 1.470 20.617 ( 0.000 0.000 1.470) 1.470 20.871 ( 0.000 0.000 -3.392) 3.392 20.871 ( 0.000 0.000 3.392) 3.392 23.843 ( 0.000 0.000 -1.990) 1.990 23.843 ( 0.000 0.000 1.990) 1.990 23.926 ( 0.000 0.000 -1.940) 1.940 23.926 ( 0.000 0.000 1.940) 1.940 24.012 ( 0.000 0.000 -3.050) 3.050 24.012 ( 0.000 0.000 3.050) 3.050 24.109 ( 0.000 0.000 -1.811) 1.811 24.109 ( 0.000 0.000 1.811) 1.811 24.381 ( 0.000 0.000 -6.287) 6.287 24.381 ( 0.000 0.000 6.287) 6.287 24.434 ( 0.000 0.000 -0.449) 0.449 24.434 ( 0.000 0.000 0.449) 0.449 24.460 ( 0.000 0.000 -3.619) 3.619 24.460 ( 0.000 0.000 3.619) 3.619 25.085 ( 0.000 0.000 -2.766) 2.766 25.085 ( 0.000 0.000 2.766) 2.766 25.108 ( 0.000 0.000 -0.601) 0.601 25.108 ( 0.000 0.000 0.601) 0.601 26.164 ( 0.000 0.000 -24.648) 24.648 26.164 ( 0.000 0.000 24.648) 24.648 26.477 ( 0.000 0.000 -22.575) 22.575 26.477 ( 0.000 0.000 22.575) 22.575 27.073 ( 0.000 0.000 -26.302) 26.302 27.073 ( 0.000 0.000 26.302) 26.302 27.388 ( 0.000 0.000 -1.851) 1.851 27.388 ( 0.000 0.000 1.851) 1.851 27.395 ( 0.000 0.000 -0.086) 0.086 27.395 ( 0.000 0.000 0.086) 0.086 27.962 ( 0.000 0.000 -0.349) 0.349 27.962 ( 0.000 0.000 0.349) 0.349 28.082 ( 0.000 0.000 -12.545) 12.545 28.082 ( 0.000 0.000 12.545) 12.545 29.784 ( 0.000 0.000 -17.135) 17.135 29.784 ( 0.000 0.000 17.135) 17.135 30.166 ( 0.000 0.000 -0.067) 0.067 30.166 ( 0.000 0.000 0.067) 0.067 31.791 ( 0.000 0.000 -0.844) 0.844 31.791 ( 0.000 0.000 0.844) 0.844 31.791 ( 0.000 0.000 -0.081) 0.081 31.791 ( 0.000 0.000 0.081) 0.081 32.060 ( 0.000 0.000 -1.399) 1.399 32.060 ( 0.000 0.000 1.399) 1.399 32.281 ( 0.000 0.000 -1.683) 1.683 32.281 ( 0.000 0.000 1.683) 1.683 32.297 ( 0.000 0.000 -0.030) 0.030 32.297 ( 0.000 0.000 0.030) 0.030 32.334 ( 0.000 0.000 -17.057) 17.057 32.334 ( 0.000 0.000 17.057) 17.057 33.222 ( 0.000 0.000 -1.537) 1.537 33.222 ( 0.000 0.000 1.537) 1.537 33.279 ( 0.000 0.000 -0.810) 0.810 33.279 ( 0.000 0.000 0.810) 0.810 33.796 ( 0.000 0.000 -0.836) 0.836 33.796 ( 0.000 0.000 0.836) 0.836 34.445 ( 0.000 0.000 -17.764) 17.764 34.445 ( 0.000 0.000 17.764) 17.764 ======================= Grid point 83 (32/40) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 15.961 0.000 -24.718) 29.424 2.474 ( 15.961 0.000 24.718) 29.424 2.605 ( 59.191 0.000 -1.009) 59.199 2.605 ( 59.191 0.000 1.009) 59.199 2.959 ( 38.592 0.000 -2.017) 38.645 2.959 ( 38.592 0.000 2.017) 38.645 3.082 ( 27.399 0.000 -2.508) 27.514 3.082 ( 27.399 0.000 2.508) 27.514 3.319 ( -1.545 0.000 -8.766) 8.901 3.319 ( -1.545 0.000 8.766) 8.901 3.366 ( -5.167 0.000 -19.168) 19.852 3.366 ( -5.167 0.000 19.168) 19.852 3.657 ( 17.817 0.000 -4.889) 18.476 3.657 ( 17.817 0.000 4.889) 18.476 3.733 ( 26.007 0.000 -5.998) 26.690 3.733 ( 26.007 0.000 5.998) 26.690 4.160 ( 9.081 0.000 -20.238) 22.182 4.160 ( 9.081 0.000 20.238) 22.182 4.240 ( 7.902 0.000 -2.767) 8.373 4.240 ( 7.902 0.000 2.767) 8.373 4.346 ( 17.413 0.000 -2.515) 17.594 4.346 ( 17.413 0.000 2.515) 17.594 4.571 ( 1.725 0.000 -5.889) 6.136 4.571 ( 1.725 0.000 5.889) 6.136 4.700 ( 11.768 0.000 -10.490) 15.765 4.700 ( 11.768 0.000 10.490) 15.765 4.993 ( 2.815 0.000 -3.011) 4.121 4.993 ( 2.815 0.000 3.011) 4.121 5.139 ( 4.948 0.000 -1.410) 5.145 5.139 ( 4.948 0.000 1.410) 5.145 5.404 ( 1.665 0.000 -5.678) 5.917 5.404 ( 1.665 0.000 5.678) 5.917 5.664 ( 0.899 0.000 -1.732) 1.951 5.664 ( 0.899 0.000 1.732) 1.951 5.797 ( 3.285 0.000 -0.258) 3.295 5.797 ( 3.285 0.000 0.258) 3.295 5.899 ( 12.490 0.000 -1.064) 12.536 5.899 ( 12.490 0.000 1.064) 12.536 6.327 ( 5.383 0.000 -6.069) 8.112 6.327 ( 5.383 0.000 6.069) 8.113 6.601 ( 4.676 0.000 -0.404) 4.693 6.601 ( 4.676 0.000 0.404) 4.693 6.723 ( 11.927 0.000 -11.643) 16.668 6.723 ( 11.927 0.000 11.643) 16.668 7.002 ( -5.682 0.000 -3.826) 6.850 7.002 ( -5.682 0.000 3.826) 6.850 7.059 ( 1.996 0.000 -1.699) 2.621 7.059 ( 1.996 0.000 1.699) 2.621 7.320 ( -7.545 0.000 -3.556) 8.341 7.320 ( -7.545 0.000 3.556) 8.341 7.521 ( 1.462 0.000 -6.147) 6.318 7.521 ( 1.462 0.000 6.147) 6.318 7.634 ( -4.324 0.000 -5.281) 6.826 7.634 ( -4.324 0.000 5.281) 6.826 7.708 ( 0.289 0.000 -4.916) 4.924 7.708 ( 0.289 0.000 4.916) 4.924 7.742 ( -5.852 0.000 -2.413) 6.330 7.742 ( -5.852 0.000 2.413) 6.330 7.955 ( 0.394 0.000 -5.722) 5.736 7.955 ( 0.394 0.000 5.722) 5.736 8.075 ( 1.765 0.000 -2.199) 2.820 8.075 ( 1.765 0.000 2.199) 2.820 8.137 ( 1.116 0.000 -5.362) 5.477 8.137 ( 1.116 0.000 5.362) 5.477 8.256 ( -9.340 0.000 -4.574) 10.400 8.256 ( -9.340 0.000 4.574) 10.400 8.498 ( 7.787 0.000 -7.872) 11.073 8.498 ( 7.787 0.000 7.872) 11.073 8.699 ( -2.272 0.000 -10.675) 10.914 8.699 ( -2.272 0.000 10.675) 10.914 8.846 ( 4.290 0.000 -7.875) 8.968 8.846 ( 4.290 0.000 7.875) 8.968 9.027 ( 7.605 0.000 -5.129) 9.173 9.027 ( 7.605 0.000 5.129) 9.173 9.315 ( 2.514 0.000 -7.509) 7.919 9.315 ( 2.514 0.000 7.509) 7.919 9.533 ( -7.165 0.000 -6.976) 10.000 9.533 ( -7.165 0.000 6.976) 10.000 9.615 ( 1.425 0.000 -5.283) 5.471 9.615 ( 1.425 0.000 5.283) 5.471 10.031 ( -12.878 0.000 -6.789) 14.558 10.031 ( -12.878 0.000 6.789) 14.558 10.287 ( -10.951 0.000 -1.890) 11.113 10.287 ( -10.951 0.000 1.890) 11.113 10.409 ( -5.083 0.000 -6.516) 8.265 10.409 ( -5.083 0.000 6.516) 8.265 10.540 ( -4.408 0.000 -1.382) 4.619 10.540 ( -4.408 0.000 1.382) 4.619 10.743 ( -0.958 0.000 -5.214) 5.301 10.743 ( -0.958 0.000 5.214) 5.301 10.918 ( -0.657 0.000 -6.846) 6.877 10.918 ( -0.657 0.000 6.846) 6.877 10.956 ( -4.665 0.000 -9.081) 10.209 10.956 ( -4.665 0.000 9.081) 10.209 11.028 ( 0.902 0.000 -1.631) 1.864 11.028 ( 0.902 0.000 1.631) 1.864 11.199 ( 1.184 0.000 -3.719) 3.903 11.199 ( 1.184 0.000 3.719) 3.903 11.322 ( -7.605 0.000 -5.323) 9.283 11.322 ( -7.605 0.000 5.323) 9.283 11.537 ( 4.886 0.000 -7.206) 8.706 11.537 ( 4.886 0.000 7.206) 8.706 11.598 ( -4.325 0.000 -3.831) 5.778 11.598 ( -4.325 0.000 3.831) 5.778 11.874 ( 2.382 0.000 -1.036) 2.597 11.874 ( 2.382 0.000 1.036) 2.597 11.998 ( 2.051 0.000 -2.617) 3.325 11.998 ( 2.051 0.000 2.617) 3.325 12.099 ( 9.579 0.000 -10.003) 13.850 12.099 ( 9.579 0.000 10.003) 13.850 12.241 ( 0.768 0.000 -5.413) 5.467 12.241 ( 0.768 0.000 5.413) 5.467 12.719 ( -1.628 0.000 -0.761) 1.797 12.719 ( -1.628 0.000 0.761) 1.797 13.034 ( -2.089 0.000 -7.609) 7.890 13.034 ( -2.089 0.000 7.609) 7.890 13.471 ( 10.027 0.000 -1.240) 10.103 13.471 ( 10.027 0.000 1.240) 10.103 13.621 ( 21.906 0.000 -1.698) 21.971 13.621 ( 21.906 0.000 1.698) 21.971 13.819 ( -6.473 0.000 -2.842) 7.069 13.819 ( -6.473 0.000 2.842) 7.069 14.221 ( 0.013 0.000 -1.258) 1.258 14.221 ( 0.013 0.000 1.258) 1.258 14.392 ( 10.274 0.000 -2.585) 10.594 14.392 ( 10.274 0.000 2.585) 10.594 14.839 ( 17.624 0.000 -9.188) 19.876 14.839 ( 17.624 0.000 9.188) 19.876 15.297 ( -8.163 0.000 -3.197) 8.767 15.297 ( -8.163 0.000 3.197) 8.767 15.359 ( -4.410 0.000 -2.654) 5.147 15.359 ( -4.410 0.000 2.654) 5.147 15.990 ( -0.324 0.000 -11.752) 11.756 15.990 ( -0.324 0.000 11.752) 11.756 16.277 ( 1.649 0.000 -4.342) 4.645 16.277 ( 1.649 0.000 4.342) 4.645 16.338 ( 2.747 0.000 -0.014) 2.747 16.338 ( 2.747 0.000 0.014) 2.747 16.581 ( 4.946 0.000 -23.734) 24.244 16.581 ( 4.946 0.000 23.734) 24.244 16.880 ( 6.300 0.000 -9.665) 11.537 16.880 ( 6.300 0.000 9.665) 11.537 17.034 ( 0.100 0.000 -3.127) 3.129 17.034 ( 0.100 0.000 3.127) 3.129 17.521 ( 0.900 0.000 -0.578) 1.069 17.521 ( 0.900 0.000 0.578) 1.069 17.832 ( 4.945 0.000 -32.619) 32.992 17.832 ( 4.945 0.000 32.619) 32.992 18.449 ( -16.952 0.000 -4.521) 17.544 18.449 ( -16.952 0.000 4.521) 17.544 18.554 ( -16.604 0.000 -0.099) 16.604 18.554 ( -16.604 0.000 0.099) 16.604 19.770 ( 2.202 0.000 -2.074) 3.025 19.770 ( 2.202 0.000 2.074) 3.025 20.083 ( -5.869 0.000 -18.422) 19.334 20.083 ( -5.869 0.000 18.422) 19.334 20.627 ( 1.290 0.000 -2.660) 2.956 20.627 ( 1.290 0.000 2.660) 2.956 20.778 ( -6.166 0.000 -3.697) 7.190 20.778 ( -6.166 0.000 3.697) 7.190 23.656 ( -16.841 0.000 -0.810) 16.861 23.656 ( -16.841 0.000 0.810) 16.861 23.707 ( -17.988 0.000 -1.369) 18.040 23.707 ( -17.988 0.000 1.369) 18.040 23.810 ( -17.032 0.000 -1.771) 17.124 23.810 ( -17.032 0.000 1.771) 17.124 23.991 ( -13.434 0.000 -0.764) 13.455 23.991 ( -13.434 0.000 0.764) 13.455 24.321 ( 0.449 0.000 -3.591) 3.619 24.321 ( 0.449 0.000 3.591) 3.619 24.430 ( 1.083 0.000 -5.343) 5.452 24.430 ( 1.083 0.000 5.343) 5.452 24.649 ( 7.590 0.000 -1.410) 7.719 24.649 ( 7.590 0.000 1.410) 7.719 25.139 ( 6.018 0.000 -1.259) 6.149 25.139 ( 6.018 0.000 1.259) 6.149 25.219 ( 7.754 0.000 -0.137) 7.756 25.219 ( 7.754 0.000 0.137) 7.756 26.120 ( -5.204 0.000 -24.211) 24.764 26.120 ( -5.204 0.000 24.211) 24.764 26.364 ( -9.059 0.000 -22.084) 23.870 26.364 ( -9.059 0.000 22.084) 23.870 27.014 ( -5.870 0.000 -24.974) 25.655 27.014 ( -5.870 0.000 24.974) 25.655 27.389 ( -0.154 0.000 -0.409) 0.437 27.389 ( -0.154 0.000 0.409) 0.437 27.394 ( -0.044 0.000 -0.796) 0.797 27.394 ( -0.044 0.000 0.796) 0.797 27.911 ( -4.937 0.000 -0.676) 4.983 27.911 ( -4.937 0.000 0.676) 4.983 28.000 ( -7.498 0.000 -10.339) 12.772 28.000 ( -7.498 0.000 10.339) 12.772 29.647 ( -10.706 0.000 -14.316) 17.877 29.647 ( -10.706 0.000 14.316) 17.877 29.941 ( -16.483 0.000 -0.524) 16.492 29.941 ( -16.483 0.000 0.524) 16.492 31.644 ( -18.565 0.000 -0.833) 18.584 31.644 ( -18.565 0.000 0.833) 18.584 31.691 ( -13.583 0.000 -15.317) 20.472 31.691 ( -13.583 0.000 15.317) 20.472 32.197 ( 19.573 0.000 -2.157) 19.692 32.197 ( 19.573 0.000 2.157) 19.692 32.265 ( 10.969 0.000 -1.447) 11.064 32.265 ( 10.969 0.000 1.447) 11.064 32.613 ( 21.794 0.000 -3.231) 22.033 32.613 ( 21.794 0.000 3.231) 22.033 32.688 ( 21.681 0.000 -1.955) 21.769 32.688 ( 21.681 0.000 1.955) 21.769 33.296 ( 4.874 0.000 -0.959) 4.968 33.296 ( 4.874 0.000 0.959) 4.968 33.341 ( 7.675 0.000 -1.311) 7.786 33.341 ( 7.675 0.000 1.311) 7.786 33.805 ( 1.809 0.000 -0.199) 1.820 33.805 ( 1.809 0.000 0.199) 1.820 34.355 ( -6.727 0.000 -16.979) 18.263 34.355 ( -6.727 0.000 16.979) 18.263 ======================= Grid point 85 (33/40) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 9.530 0.000 -8.639) 12.862 2.751 ( 9.530 0.000 8.639) 12.862 3.139 ( -4.097 0.000 -9.035) 9.921 3.139 ( -4.097 0.000 9.035) 9.921 3.316 ( 5.844 0.000 -3.228) 6.676 3.316 ( 5.844 0.000 3.228) 6.676 3.478 ( 11.435 0.000 -0.558) 11.449 3.478 ( 11.435 0.000 0.558) 11.449 3.684 ( 28.269 0.000 -3.955) 28.544 3.684 ( 28.269 0.000 3.955) 28.544 3.750 ( 29.466 0.000 -3.794) 29.709 3.750 ( 29.466 0.000 3.794) 29.709 4.075 ( 5.029 0.000 -8.112) 9.545 4.075 ( 5.029 0.000 8.112) 9.545 4.168 ( 16.041 0.000 -5.339) 16.906 4.168 ( 16.041 0.000 5.339) 16.906 4.295 ( -1.430 0.000 -1.778) 2.281 4.295 ( -1.430 0.000 1.778) 2.281 4.541 ( 29.113 0.000 -9.345) 30.577 4.541 ( 29.113 0.000 9.345) 30.577 4.809 ( 10.989 0.000 -3.208) 11.448 4.809 ( 10.989 0.000 3.208) 11.448 4.899 ( 13.129 0.000 -6.192) 14.516 4.899 ( 13.129 0.000 6.192) 14.516 4.991 ( 28.129 0.000 -7.001) 28.987 4.991 ( 28.129 0.000 7.001) 28.987 5.128 ( 19.693 0.000 -1.547) 19.753 5.128 ( 19.693 0.000 1.547) 19.753 5.483 ( 20.635 0.000 -3.700) 20.964 5.483 ( 20.635 0.000 3.700) 20.964 5.575 ( 11.990 0.000 -1.708) 12.112 5.575 ( 11.990 0.000 1.708) 12.112 5.764 ( 18.781 0.000 -5.168) 19.479 5.764 ( 18.781 0.000 5.168) 19.479 5.830 ( 7.364 0.000 -5.954) 9.470 5.830 ( 7.364 0.000 5.954) 9.470 6.370 ( 25.401 0.000 -2.940) 25.570 6.370 ( 25.401 0.000 2.940) 25.570 6.521 ( 12.280 0.000 -6.961) 14.116 6.521 ( 12.280 0.000 6.961) 14.116 6.708 ( 3.999 0.000 -1.249) 4.189 6.708 ( 3.999 0.000 1.249) 4.189 6.811 ( -3.364 0.000 -3.019) 4.520 6.811 ( -3.364 0.000 3.019) 4.520 7.000 ( 1.759 0.000 -1.888) 2.581 7.000 ( 1.759 0.000 1.888) 2.581 7.157 ( 9.312 0.000 -1.010) 9.367 7.157 ( 9.312 0.000 1.010) 9.367 7.215 ( -1.058 0.000 -1.891) 2.167 7.215 ( -1.058 0.000 1.891) 2.167 7.401 ( -6.187 0.000 -3.571) 7.143 7.401 ( -6.187 0.000 3.571) 7.143 7.618 ( -3.890 0.000 -3.966) 5.555 7.618 ( -3.890 0.000 3.966) 5.555 7.640 ( 1.091 0.000 -5.966) 6.065 7.640 ( 1.091 0.000 5.966) 6.065 7.722 ( 2.001 0.000 -4.246) 4.694 7.722 ( 2.001 0.000 4.246) 4.694 7.826 ( -5.914 0.000 -3.963) 7.119 7.826 ( -5.914 0.000 3.963) 7.119 8.062 ( -4.449 0.000 -2.858) 5.288 8.062 ( -4.449 0.000 2.858) 5.288 8.161 ( 6.082 0.000 -1.369) 6.235 8.161 ( 6.082 0.000 1.369) 6.235 8.308 ( 9.099 0.000 -6.080) 10.943 8.308 ( 9.099 0.000 6.080) 10.943 8.648 ( -2.535 0.000 -1.922) 3.182 8.648 ( -2.535 0.000 1.922) 3.182 8.727 ( 9.365 0.000 -14.604) 17.348 8.727 ( 9.365 0.000 14.604) 17.348 8.917 ( 0.330 0.000 -3.454) 3.470 8.917 ( 0.330 0.000 3.454) 3.470 9.085 ( -2.118 0.000 -2.397) 3.199 9.085 ( -2.118 0.000 2.397) 3.199 9.321 ( 0.264 0.000 -7.289) 7.294 9.321 ( 0.264 0.000 7.289) 7.294 9.349 ( -9.087 0.000 -8.606) 12.515 9.349 ( -9.087 0.000 8.606) 12.515 9.650 ( -1.237 0.000 -3.707) 3.908 9.650 ( -1.237 0.000 3.707) 3.908 9.725 ( -14.190 0.000 -2.367) 14.386 9.725 ( -14.190 0.000 2.367) 14.386 10.044 ( -10.142 0.000 -2.623) 10.475 10.044 ( -10.142 0.000 2.623) 10.475 10.203 ( -14.216 0.000 -5.766) 15.340 10.203 ( -14.216 0.000 5.766) 15.340 10.426 ( -5.844 0.000 -0.105) 5.845 10.426 ( -5.844 0.000 0.105) 5.845 10.709 ( -3.549 0.000 -9.192) 9.853 10.709 ( -3.549 0.000 9.192) 9.853 10.839 ( -2.958 0.000 -11.793) 12.158 10.839 ( -2.958 0.000 11.793) 12.158 10.918 ( -0.782 0.000 -1.876) 2.033 10.918 ( -0.782 0.000 1.876) 2.033 11.065 ( -1.540 0.000 -2.078) 2.587 11.065 ( -1.540 0.000 2.078) 2.587 11.132 ( -3.962 0.000 -8.393) 9.281 11.132 ( -3.962 0.000 8.393) 9.281 11.227 ( -1.665 0.000 -0.697) 1.805 11.227 ( -1.665 0.000 0.697) 1.805 11.448 ( -9.401 0.000 -5.637) 10.962 11.448 ( -9.401 0.000 5.637) 10.962 11.596 ( -1.887 0.000 -3.549) 4.020 11.596 ( -1.887 0.000 3.549) 4.020 11.860 ( 1.466 0.000 -1.893) 2.394 11.860 ( 1.466 0.000 1.893) 2.394 12.083 ( 6.844 0.000 -2.746) 7.375 12.083 ( 6.844 0.000 2.746) 7.375 12.272 ( 6.070 0.000 -4.003) 7.271 12.272 ( 6.070 0.000 4.003) 7.271 12.474 ( 16.434 0.000 -0.233) 16.435 12.474 ( 16.434 0.000 0.233) 16.435 12.738 ( 4.317 0.000 -7.401) 8.568 12.738 ( 4.317 0.000 7.401) 8.568 13.026 ( 2.355 0.000 -3.294) 4.049 13.026 ( 2.355 0.000 3.294) 4.049 13.568 ( -3.976 0.000 -8.865) 9.715 13.568 ( -3.976 0.000 8.865) 9.715 13.698 ( 3.038 0.000 -5.175) 6.001 13.698 ( 3.038 0.000 5.175) 6.001 14.154 ( 14.329 0.000 -1.430) 14.400 14.154 ( 14.329 0.000 1.430) 14.400 14.208 ( 4.569 0.000 -3.416) 5.705 14.208 ( 4.569 0.000 3.416) 5.705 14.628 ( 9.585 0.000 -1.696) 9.734 14.628 ( 9.585 0.000 1.696) 9.734 15.081 ( -11.297 0.000 -6.699) 13.134 15.081 ( -11.297 0.000 6.699) 13.134 15.208 ( 4.807 0.000 -5.109) 7.015 15.208 ( 4.807 0.000 5.109) 7.015 15.359 ( 15.576 0.000 -18.985) 24.557 15.359 ( 15.576 0.000 18.985) 24.557 15.984 ( 0.429 0.000 -11.440) 11.448 15.984 ( 0.429 0.000 11.440) 11.448 16.282 ( 1.127 0.000 -11.945) 11.998 16.282 ( 1.127 0.000 11.945) 11.998 16.476 ( 7.584 0.000 -6.189) 9.789 16.476 ( 7.584 0.000 6.189) 9.789 16.715 ( 6.900 0.000 -10.527) 12.587 16.715 ( 6.900 0.000 10.527) 12.587 16.972 ( -3.365 0.000 -2.253) 4.050 16.972 ( -3.365 0.000 2.253) 4.050 17.021 ( 4.286 0.000 -0.131) 4.288 17.021 ( 4.286 0.000 0.131) 4.288 17.569 ( 3.193 0.000 -4.270) 5.332 17.569 ( 3.193 0.000 4.270) 5.332 17.877 ( -13.406 0.000 -16.570) 21.314 17.877 ( -13.406 0.000 16.570) 21.314 17.960 ( -11.665 0.000 -13.472) 17.821 17.960 ( -11.665 0.000 13.472) 17.821 18.250 ( -14.201 0.000 -4.627) 14.936 18.250 ( -14.201 0.000 4.627) 14.936 19.877 ( 8.338 0.000 -1.758) 8.521 19.877 ( 8.338 0.000 1.758) 8.521 20.028 ( 4.646 0.000 -7.998) 9.249 20.028 ( 4.646 0.000 7.998) 9.249 20.655 ( 3.372 0.000 -1.285) 3.609 20.655 ( 3.372 0.000 1.285) 3.609 20.786 ( 7.955 0.000 -8.473) 11.622 20.786 ( 7.955 0.000 8.473) 11.622 23.178 ( -27.655 0.000 -4.539) 28.025 23.178 ( -27.655 0.000 4.539) 28.025 23.217 ( -29.030 0.000 -6.879) 29.834 23.217 ( -29.030 0.000 6.879) 29.834 23.372 ( -24.117 0.000 -1.023) 24.139 23.372 ( -24.117 0.000 1.023) 24.139 23.583 ( -24.884 0.000 -1.832) 24.951 23.583 ( -24.884 0.000 1.832) 24.951 24.335 ( 0.265 0.000 -5.124) 5.131 24.335 ( 0.265 0.000 5.124) 5.131 24.446 ( -0.041 0.000 -3.988) 3.988 24.446 ( -0.041 0.000 3.988) 3.988 24.748 ( 2.621 0.000 -0.796) 2.739 24.748 ( 2.621 0.000 0.796) 2.739 25.295 ( 7.912 0.000 -0.881) 7.961 25.295 ( 7.912 0.000 0.881) 7.961 25.383 ( 6.875 0.000 -0.215) 6.879 25.383 ( 6.875 0.000 0.215) 6.879 25.905 ( -13.380 0.000 -11.000) 17.321 25.905 ( -13.380 0.000 11.000) 17.321 26.198 ( -6.375 0.000 -9.798) 11.689 26.198 ( -6.375 0.000 9.798) 11.689 26.829 ( -11.316 0.000 -21.086) 23.931 26.829 ( -11.316 0.000 21.086) 23.931 27.372 ( -1.520 0.000 -2.231) 2.699 27.372 ( -1.520 0.000 2.231) 2.699 27.385 ( -1.203 0.000 -1.893) 2.243 27.385 ( -1.203 0.000 1.893) 2.243 27.754 ( -9.701 0.000 -1.261) 9.783 27.754 ( -9.701 0.000 1.261) 9.783 27.794 ( -11.290 0.000 -5.915) 12.746 27.794 ( -11.290 0.000 5.915) 12.746 29.446 ( -6.722 0.000 -8.490) 10.829 29.446 ( -6.722 0.000 8.490) 10.829 29.640 ( -10.406 0.000 -2.180) 10.632 29.640 ( -10.406 0.000 2.180) 10.632 31.133 ( -28.330 0.000 -2.058) 28.405 31.133 ( -28.330 0.000 2.058) 28.405 31.264 ( -25.672 0.000 -25.874) 36.449 31.264 ( -25.672 0.000 25.874) 36.449 32.573 ( 19.175 0.000 -3.228) 19.444 32.573 ( 19.175 0.000 3.228) 19.444 32.706 ( 22.734 0.000 -7.338) 23.889 32.706 ( 22.734 0.000 7.338) 23.889 33.052 ( 17.690 0.000 -0.756) 17.706 33.052 ( 17.690 0.000 0.756) 17.706 33.172 ( 22.844 0.000 -4.221) 23.231 33.172 ( 22.844 0.000 4.221) 23.231 33.405 ( 6.784 0.000 -2.969) 7.405 33.405 ( 6.784 0.000 2.969) 7.405 33.599 ( 15.308 0.000 -6.012) 16.446 33.599 ( 15.308 0.000 6.012) 16.446 33.900 ( 6.905 0.000 -2.918) 7.496 33.900 ( 6.905 0.000 2.918) 7.496 34.248 ( -2.438 0.000 -16.498) 16.677 34.248 ( -2.438 0.000 16.498) 16.677 ======================= Grid point 87 (34/40) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 6.433 0.000 -5.123) 8.224 2.883 ( 6.433 0.000 5.123) 8.224 3.139 ( 4.590 0.000 -7.631) 8.905 3.139 ( 4.590 0.000 7.631) 8.905 3.559 ( 2.479 0.000 -1.056) 2.694 3.559 ( 2.479 0.000 1.056) 2.694 3.631 ( 12.690 0.000 -11.067) 16.838 3.631 ( 12.690 0.000 11.067) 16.838 3.900 ( -2.904 0.000 -5.709) 6.405 3.900 ( -2.904 0.000 5.709) 6.405 4.076 ( -0.153 0.000 -13.042) 13.043 4.076 ( -0.153 0.000 13.042) 13.043 4.189 ( 3.074 0.000 -1.185) 3.295 4.189 ( 3.074 0.000 1.185) 3.295 4.303 ( 17.551 0.000 -9.772) 20.089 4.303 ( 17.551 0.000 9.772) 20.089 4.519 ( 17.703 0.000 -3.969) 18.142 4.519 ( 17.703 0.000 3.969) 18.142 4.790 ( -4.710 0.000 -4.821) 6.740 4.790 ( -4.710 0.000 4.821) 6.740 5.004 ( 4.524 0.000 -1.086) 4.652 5.004 ( 4.524 0.000 1.086) 4.652 5.078 ( 12.618 0.000 -9.579) 15.842 5.078 ( 12.618 0.000 9.579) 15.842 5.418 ( -1.842 0.000 -8.049) 8.257 5.418 ( -1.842 0.000 8.049) 8.257 5.521 ( 20.279 0.000 -3.721) 20.618 5.521 ( 20.279 0.000 3.721) 20.618 5.812 ( 8.300 0.000 -4.305) 9.350 5.812 ( 8.300 0.000 4.305) 9.350 5.887 ( 17.058 0.000 -2.010) 17.177 5.887 ( 17.059 0.000 2.010) 17.177 6.201 ( 26.173 0.000 -4.465) 26.551 6.201 ( 26.173 0.000 4.465) 26.551 6.311 ( 0.107 0.000 -5.182) 5.183 6.311 ( 0.107 0.000 5.182) 5.183 6.508 ( 14.688 0.000 -1.248) 14.741 6.508 ( 14.688 0.000 1.248) 14.741 6.751 ( -5.876 0.000 -1.611) 6.093 6.751 ( -5.876 0.000 1.611) 6.093 6.843 ( 11.612 0.000 -15.599) 19.447 6.843 ( 11.612 0.000 15.599) 19.447 6.856 ( 2.171 0.000 -1.099) 2.433 6.856 ( 2.170 0.000 1.099) 2.433 7.110 ( 3.587 0.000 -1.979) 4.096 7.110 ( 3.587 0.000 1.979) 4.096 7.237 ( 25.751 0.000 -7.896) 26.934 7.237 ( 25.751 0.000 7.896) 26.934 7.404 ( 1.828 0.000 -1.367) 2.283 7.404 ( 1.828 0.000 1.367) 2.282 7.445 ( 3.627 0.000 -10.728) 11.324 7.445 ( 3.627 0.000 10.728) 11.324 7.605 ( 4.687 0.000 -6.967) 8.397 7.605 ( 4.686 0.000 6.967) 8.397 7.677 ( 6.462 0.000 -11.404) 13.108 7.677 ( 6.462 0.000 11.404) 13.108 7.803 ( 4.842 0.000 -2.821) 5.604 7.803 ( 4.842 0.000 2.821) 5.604 7.861 ( 7.853 0.000 -3.435) 8.571 7.861 ( 7.853 0.000 3.435) 8.571 8.178 ( 18.389 0.000 -6.329) 19.448 8.178 ( 18.389 0.000 6.329) 19.448 8.323 ( 8.780 0.000 -0.857) 8.821 8.323 ( 8.780 0.000 0.857) 8.821 8.431 ( 2.686 0.000 -1.000) 2.866 8.431 ( 2.686 0.000 1.000) 2.866 8.583 ( -0.113 0.000 -7.661) 7.662 8.583 ( -0.113 0.000 7.661) 7.662 8.710 ( -12.198 0.000 -5.032) 13.195 8.710 ( -12.198 0.000 5.032) 13.195 8.907 ( 4.009 0.000 -1.157) 4.173 8.907 ( 4.009 0.000 1.157) 4.173 9.093 ( -13.522 0.000 -10.235) 16.959 9.093 ( -13.522 0.000 10.235) 16.959 9.145 ( 3.631 0.000 -0.022) 3.631 9.145 ( 3.631 0.000 0.022) 3.631 9.332 ( 0.577 0.000 -1.359) 1.476 9.332 ( 0.577 0.000 1.359) 1.476 9.472 ( -11.649 0.000 -0.868) 11.682 9.472 ( -11.649 0.000 0.868) 11.682 9.564 ( -4.141 0.000 -3.369) 5.339 9.564 ( -4.141 0.000 3.369) 5.339 9.866 ( -16.528 0.000 -5.163) 17.315 9.866 ( -16.528 0.000 5.163) 17.315 9.886 ( -6.096 0.000 -4.827) 7.776 9.886 ( -6.096 0.000 4.827) 7.776 10.284 ( -8.450 0.000 -1.294) 8.549 10.284 ( -8.450 0.000 1.294) 8.549 10.613 ( -4.462 0.000 -10.384) 11.302 10.613 ( -4.462 0.000 10.384) 11.302 10.767 ( -5.345 0.000 -0.173) 5.348 10.767 ( -5.345 0.000 0.173) 5.348 10.912 ( -0.064 0.000 -0.860) 0.863 10.912 ( -0.064 0.000 0.860) 0.863 10.969 ( -3.588 0.000 -7.506) 8.319 10.969 ( -3.588 0.000 7.506) 8.319 11.065 ( -3.227 0.000 -8.732) 9.309 11.065 ( -3.227 0.000 8.732) 9.309 11.225 ( -3.823 0.000 -4.035) 5.559 11.225 ( -3.823 0.000 4.035) 5.559 11.268 ( -2.675 0.000 -1.564) 3.099 11.268 ( -2.675 0.000 1.564) 3.099 11.476 ( -7.797 0.000 -0.286) 7.802 11.476 ( -7.797 0.000 0.286) 7.802 11.977 ( 8.615 0.000 -5.243) 10.085 11.977 ( 8.615 0.000 5.243) 10.085 12.286 ( 10.774 0.000 -2.758) 11.121 12.286 ( 10.774 0.000 2.758) 11.121 12.355 ( 3.137 0.000 -4.395) 5.400 12.355 ( 3.137 0.000 4.395) 5.400 12.753 ( 5.450 0.000 -5.245) 7.564 12.753 ( 5.450 0.000 5.245) 7.564 12.890 ( 11.767 0.000 -0.061) 11.767 12.890 ( 11.767 0.000 0.061) 11.767 13.169 ( 9.986 0.000 -6.654) 12.000 13.169 ( 9.986 0.000 6.654) 12.000 13.460 ( -3.869 0.000 -1.871) 4.298 13.460 ( -3.869 0.000 1.871) 4.298 13.766 ( 1.315 0.000 -4.072) 4.279 13.766 ( 1.315 0.000 4.072) 4.279 14.155 ( -0.267 0.000 -4.788) 4.795 14.155 ( -0.267 0.000 4.788) 4.795 14.427 ( 3.843 0.000 -3.402) 5.132 14.427 ( 3.843 0.000 3.402) 5.132 14.673 ( -4.956 0.000 -0.862) 5.030 14.673 ( -4.956 0.000 0.862) 5.030 14.833 ( -11.914 0.000 -11.776) 16.752 14.833 ( -11.915 0.000 11.776) 16.752 15.371 ( 13.381 0.000 -3.693) 13.882 15.371 ( 13.381 0.000 3.693) 13.882 15.635 ( 5.362 0.000 -13.299) 14.339 15.635 ( 5.362 0.000 13.299) 14.339 16.015 ( 1.206 0.000 -6.705) 6.812 16.015 ( 1.206 0.000 6.705) 6.812 16.352 ( 2.685 0.000 -8.494) 8.908 16.352 ( 2.685 0.000 8.494) 8.908 16.577 ( 2.682 0.000 -5.763) 6.356 16.577 ( 2.682 0.000 5.763) 6.356 16.823 ( 1.855 0.000 -1.176) 2.196 16.823 ( 1.855 0.000 1.176) 2.196 16.936 ( 4.843 0.000 -6.462) 8.075 16.936 ( 4.843 0.000 6.462) 8.075 17.139 ( 6.257 0.000 -6.149) 8.773 17.139 ( 6.257 0.000 6.149) 8.773 17.427 ( -13.351 0.000 -3.778) 13.876 17.427 ( -13.351 0.000 3.778) 13.875 17.664 ( -0.284 0.000 -1.038) 1.076 17.664 ( -0.284 0.000 1.038) 1.076 17.872 ( -5.157 0.000 -12.147) 13.197 17.872 ( -5.157 0.000 12.147) 13.197 17.967 ( -12.077 0.000 -2.873) 12.414 17.967 ( -12.077 0.000 2.873) 12.414 20.190 ( 23.658 0.000 -3.224) 23.877 20.190 ( 23.658 0.000 3.224) 23.877 20.339 ( 23.383 0.000 -4.215) 23.760 20.339 ( 23.383 0.000 4.215) 23.760 20.881 ( 18.454 0.000 -3.786) 18.838 20.881 ( 18.454 0.000 3.786) 18.838 21.065 ( 18.669 0.000 -10.890) 21.613 21.065 ( 18.669 0.000 10.890) 21.613 22.516 ( -36.528 0.000 -6.526) 37.106 22.516 ( -36.528 0.000 6.526) 37.106 22.518 ( -35.493 0.000 -11.265) 37.238 22.518 ( -35.493 0.000 11.266) 37.238 22.796 ( -30.740 0.000 -0.465) 30.743 22.796 ( -30.740 0.000 0.465) 30.743 22.971 ( -32.747 0.000 -4.145) 33.008 22.971 ( -32.747 0.000 4.145) 33.008 24.335 ( -0.017 0.000 -4.922) 4.922 24.335 ( -0.017 0.000 4.922) 4.922 24.422 ( -2.044 0.000 -3.526) 4.075 24.422 ( -2.044 0.000 3.526) 4.075 24.795 ( 2.625 0.000 -0.005) 2.625 24.795 ( 2.625 0.000 0.005) 2.625 25.332 ( -9.873 0.000 -3.123) 10.355 25.332 ( -9.873 0.000 3.123) 10.355 25.502 ( 8.120 0.000 -0.163) 8.122 25.502 ( 8.120 0.000 0.163) 8.122 25.784 ( 5.111 0.000 -2.334) 5.619 25.784 ( 5.111 0.000 2.334) 5.619 26.060 ( -7.227 0.000 -3.485) 8.024 26.060 ( -7.227 0.000 3.485) 8.024 26.564 ( -13.556 0.000 -14.953) 20.182 26.564 ( -13.556 0.000 14.953) 20.182 27.331 ( -2.139 0.000 -3.633) 4.216 27.331 ( -2.139 0.000 3.633) 4.216 27.345 ( -2.274 0.000 -1.594) 2.777 27.345 ( -2.274 0.000 1.594) 2.777 27.542 ( -9.461 0.000 -0.323) 9.467 27.542 ( -9.461 0.000 0.323) 9.467 27.563 ( -9.928 0.000 -3.735) 10.607 27.563 ( -9.928 0.000 3.735) 10.607 29.396 ( 2.023 0.000 -3.208) 3.793 29.396 ( 2.023 0.000 3.208) 3.793 29.532 ( 0.148 0.000 -6.432) 6.434 29.532 ( 0.148 0.000 6.432) 6.434 30.528 ( -27.644 0.000 -2.724) 27.778 30.528 ( -27.644 0.000 2.724) 27.778 30.688 ( -27.627 0.000 -24.254) 36.763 30.688 ( -27.627 0.000 24.254) 36.763 32.970 ( 17.534 0.000 -5.261) 18.306 32.970 ( 17.534 0.000 5.261) 18.306 33.128 ( 16.937 0.000 -7.772) 18.635 33.128 ( 16.937 0.000 7.772) 18.635 33.329 ( 8.698 0.000 -1.628) 8.849 33.329 ( 8.698 0.000 1.628) 8.849 33.457 ( 5.393 0.000 -4.178) 6.822 33.457 ( 5.393 0.000 4.178) 6.822 33.690 ( 17.709 0.000 -5.298) 18.484 33.690 ( 17.709 0.000 5.298) 18.484 33.916 ( 13.294 0.000 -9.088) 16.103 33.916 ( 13.294 0.000 9.088) 16.103 34.054 ( 6.852 0.000 -5.375) 8.709 34.054 ( 6.852 0.000 5.375) 8.709 34.245 ( 1.230 0.000 -15.431) 15.479 34.245 ( 1.230 0.000 15.431) 15.479 ======================= Grid point 89 (35/40) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 11.273 0.000 -2.022) 11.453 3.074 ( 11.273 0.000 2.023) 11.453 3.257 ( -0.093 0.000 -0.220) 0.239 3.257 ( -0.093 0.000 0.221) 0.239 3.480 ( 1.082 0.000 -4.842) 4.961 3.480 ( 1.082 0.000 4.842) 4.961 3.691 ( -12.680 0.000 -4.503) 13.456 3.691 ( -12.680 0.000 4.503) 13.456 3.942 ( 10.879 0.000 -2.643) 11.195 3.942 ( 10.878 0.000 2.643) 11.195 4.066 ( -1.564 0.000 -6.705) 6.885 4.066 ( -1.564 0.000 6.705) 6.885 4.293 ( 6.439 0.000 -4.848) 8.060 4.293 ( 6.439 0.000 4.848) 8.060 4.447 ( -5.595 0.000 -3.727) 6.722 4.447 ( -5.595 0.000 3.727) 6.722 4.805 ( 8.796 0.000 -2.019) 9.025 4.805 ( 8.796 0.000 2.019) 9.025 4.897 ( 8.381 0.000 -6.849) 10.824 4.897 ( 8.381 0.000 6.849) 10.824 5.174 ( 13.195 0.000 -15.111) 20.061 5.174 ( 13.195 0.000 15.111) 20.061 5.234 ( 5.800 0.000 -3.848) 6.960 5.234 ( 5.800 0.000 3.848) 6.960 5.355 ( -1.236 0.000 -3.329) 3.551 5.355 ( -1.236 0.000 3.329) 3.551 5.649 ( -14.559 0.000 -3.282) 14.924 5.649 ( -14.558 0.000 3.283) 14.924 5.700 ( 0.784 0.000 -12.681) 12.705 5.700 ( 0.784 0.000 12.680) 12.705 5.963 ( -17.512 0.000 -5.369) 18.316 5.963 ( -17.512 0.000 5.369) 18.317 6.441 ( 17.906 0.000 -10.776) 20.899 6.441 ( 17.906 0.000 10.776) 20.898 6.517 ( 15.489 0.000 -7.166) 17.066 6.517 ( 15.489 0.000 7.166) 17.066 6.735 ( 3.429 0.000 -0.856) 3.534 6.735 ( 3.429 0.000 0.857) 3.535 6.798 ( 0.054 0.000 -4.733) 4.733 6.798 ( 0.054 0.000 4.733) 4.733 7.004 ( -0.690 0.000 -0.797) 1.054 7.004 ( -0.690 0.000 0.797) 1.054 7.028 ( -0.800 0.000 -6.555) 6.604 7.028 ( -0.800 0.000 6.555) 6.604 7.130 ( 8.704 0.000 -2.942) 9.188 7.130 ( 8.704 0.000 2.943) 9.188 7.269 ( -1.138 0.000 -5.198) 5.321 7.269 ( -1.138 0.000 5.198) 5.321 7.418 ( 2.698 0.000 -5.583) 6.201 7.418 ( 2.698 0.000 5.583) 6.200 7.590 ( -7.117 0.000 -7.922) 10.649 7.590 ( -7.117 0.000 7.922) 10.650 7.683 ( 2.351 0.000 -4.465) 5.046 7.683 ( 2.351 0.000 4.465) 5.046 7.782 ( -1.853 0.000 -0.806) 2.021 7.782 ( -1.853 0.000 0.806) 2.021 8.070 ( 17.258 0.000 -0.176) 17.259 8.070 ( 17.258 0.000 0.176) 17.259 8.149 ( 19.699 0.000 -4.781) 20.271 8.149 ( 19.699 0.000 4.781) 20.271 8.335 ( -7.658 0.000 -4.219) 8.744 8.335 ( -7.658 0.000 4.219) 8.744 8.471 ( 0.001 0.000 -4.472) 4.472 8.471 ( 0.001 0.000 4.472) 4.472 8.615 ( 5.783 0.000 -5.072) 7.692 8.615 ( 5.783 0.000 5.072) 7.692 8.661 ( 17.376 0.000 -3.067) 17.644 8.661 ( 17.376 0.000 3.067) 17.644 8.704 ( -1.230 0.000 -6.662) 6.775 8.704 ( -1.230 0.000 6.662) 6.775 8.878 ( 10.862 0.000 -1.020) 10.910 8.878 ( 10.862 0.000 1.020) 10.910 8.969 ( -11.217 0.000 -5.429) 12.462 8.969 ( -11.217 0.000 5.430) 12.462 9.079 ( 1.180 0.000 -4.963) 5.101 9.079 ( 1.180 0.000 4.963) 5.101 9.241 ( -9.709 0.000 -4.068) 10.527 9.241 ( -9.709 0.000 4.069) 10.527 9.326 ( -5.792 0.000 -1.697) 6.035 9.326 ( -5.792 0.000 1.697) 6.035 9.521 ( -1.791 0.000 -0.257) 1.809 9.521 ( -1.791 0.000 0.257) 1.809 9.567 ( -8.990 0.000 -4.165) 9.909 9.567 ( -8.990 0.000 4.165) 9.908 9.834 ( 4.996 0.000 -0.519) 5.023 9.834 ( 4.996 0.000 0.519) 5.023 10.058 ( -12.599 0.000 -0.684) 12.617 10.058 ( -12.599 0.000 0.684) 12.617 10.561 ( 0.217 0.000 -3.523) 3.530 10.561 ( 0.217 0.000 3.523) 3.530 10.632 ( -6.077 0.000 -2.635) 6.624 10.632 ( -6.077 0.000 2.635) 6.624 10.910 ( 0.577 0.000 -0.363) 0.682 10.910 ( 0.577 0.000 0.363) 0.682 10.942 ( -1.261 0.000 -4.239) 4.423 10.942 ( -1.261 0.000 4.239) 4.423 11.030 ( 1.650 0.000 -8.757) 8.911 11.030 ( 1.650 0.000 8.757) 8.911 11.119 ( -4.803 0.000 -4.967) 6.909 11.119 ( -4.803 0.000 4.967) 6.909 11.272 ( 0.898 0.000 -4.749) 4.833 11.272 ( 0.898 0.000 4.749) 4.833 11.329 ( -4.988 0.000 -4.693) 6.848 11.329 ( -4.988 0.000 4.693) 6.848 12.182 ( 9.584 0.000 -1.872) 9.765 12.182 ( 9.584 0.000 1.872) 9.765 12.326 ( -3.543 0.000 -1.989) 4.063 12.326 ( -3.543 0.000 1.989) 4.063 12.561 ( 11.466 0.000 -0.277) 11.470 12.561 ( 11.466 0.000 0.277) 11.470 12.742 ( -5.075 0.000 -3.208) 6.004 12.742 ( -5.075 0.000 3.208) 6.004 13.131 ( 9.028 0.000 -0.543) 9.045 13.131 ( 9.028 0.000 0.543) 9.045 13.257 ( -2.955 0.000 -2.440) 3.832 13.257 ( -2.955 0.000 2.440) 3.832 13.530 ( 9.884 0.000 -5.726) 11.423 13.530 ( 9.884 0.000 5.726) 11.423 13.714 ( -6.285 0.000 -3.684) 7.285 13.714 ( -6.285 0.000 3.684) 7.285 14.220 ( 6.570 0.000 -9.416) 11.482 14.220 ( 6.570 0.000 9.416) 11.482 14.382 ( -6.933 0.000 -7.286) 10.058 14.382 ( -6.933 0.000 7.286) 10.058 14.570 ( -2.265 0.000 -5.079) 5.561 14.570 ( -2.265 0.000 5.079) 5.561 14.618 ( -7.099 0.000 -10.563) 12.727 14.618 ( -7.099 0.000 10.563) 12.727 15.603 ( 6.354 0.000 -5.656) 8.507 15.603 ( 6.354 0.000 5.656) 8.507 15.663 ( -0.841 0.000 -1.156) 1.429 15.663 ( -0.841 0.000 1.156) 1.429 16.059 ( 5.288 0.000 -2.238) 5.742 16.059 ( 5.288 0.000 2.238) 5.742 16.239 ( -10.118 0.000 -4.758) 11.181 16.239 ( -10.118 0.000 4.758) 11.181 16.694 ( 6.757 0.000 -5.141) 8.490 16.694 ( 6.757 0.000 5.141) 8.490 16.806 ( -3.152 0.000 -3.995) 5.089 16.806 ( -3.152 0.000 3.995) 5.089 17.128 ( 9.633 0.000 -13.556) 16.630 17.128 ( 9.633 0.000 13.556) 16.630 17.234 ( 0.558 0.000 -13.444) 13.455 17.234 ( 0.558 0.000 13.444) 13.455 17.321 ( 3.433 0.000 -5.744) 6.692 17.321 ( 3.433 0.000 5.744) 6.692 17.513 ( -12.374 0.000 -5.685) 13.617 17.513 ( -12.374 0.000 5.685) 13.617 17.801 ( -0.576 0.000 -0.557) 0.801 17.801 ( -0.576 0.000 0.557) 0.801 17.822 ( -2.759 0.000 -0.829) 2.881 17.822 ( -2.759 0.000 0.829) 2.881 20.845 ( 36.879 0.000 -10.117) 38.242 20.845 ( 36.879 0.000 10.117) 38.242 20.954 ( 34.107 0.000 -7.193) 34.857 20.954 ( 34.107 0.000 7.193) 34.857 21.379 ( 23.660 0.000 -2.135) 23.756 21.379 ( 23.660 0.000 2.135) 23.756 21.563 ( 26.533 0.000 -11.355) 28.861 21.563 ( 26.533 0.000 11.355) 28.861 21.707 ( -36.109 0.000 -8.289) 37.048 21.707 ( -36.109 0.000 8.289) 37.048 21.755 ( -33.727 0.000 -10.313) 35.268 21.755 ( -33.727 0.000 10.313) 35.268 22.112 ( -33.321 0.000 -1.829) 33.371 22.112 ( -33.321 0.000 1.829) 33.371 22.253 ( -34.601 0.000 -7.773) 35.463 22.253 ( -34.601 0.000 7.773) 35.463 24.343 ( 0.883 0.000 -4.204) 4.296 24.343 ( 0.883 0.000 4.204) 4.296 24.375 ( -2.112 0.000 -3.648) 4.215 24.375 ( -2.112 0.000 3.648) 4.215 24.886 ( 6.504 0.000 -0.944) 6.573 24.886 ( 6.505 0.000 0.944) 6.573 25.076 ( -11.554 0.000 -2.172) 11.756 25.076 ( -11.554 0.000 2.172) 11.756 25.691 ( 9.401 0.000 -0.506) 9.414 25.691 ( 9.401 0.000 0.506) 9.414 25.882 ( -8.096 0.000 -0.234) 8.100 25.882 ( -8.096 0.000 0.234) 8.100 25.998 ( 11.641 0.000 -2.187) 11.845 25.998 ( 11.641 0.000 2.187) 11.845 26.275 ( -13.828 0.000 -8.202) 16.078 26.275 ( -13.828 0.000 8.202) 16.078 27.298 ( -0.619 0.000 -2.575) 2.648 27.298 ( -0.619 0.000 2.575) 2.648 27.306 ( -1.187 0.000 -0.850) 1.460 27.306 ( -1.187 0.000 0.850) 1.460 27.398 ( -3.571 0.000 -0.702) 3.640 27.398 ( -3.571 0.000 0.702) 3.640 27.408 ( -4.357 0.000 -2.640) 5.095 27.408 ( -4.357 0.000 2.640) 5.095 29.517 ( 8.653 0.000 -0.939) 8.704 29.517 ( 8.653 0.000 0.939) 8.704 29.608 ( 3.884 0.000 -11.291) 11.940 29.608 ( 3.884 0.000 11.291) 11.940 30.064 ( -12.751 0.000 -0.947) 12.786 30.064 ( -12.751 0.000 0.947) 12.786 30.176 ( -19.217 0.000 -16.143) 25.097 30.176 ( -19.217 0.000 16.143) 25.097 33.270 ( 10.465 0.000 -5.414) 11.783 33.270 ( 10.465 0.000 5.414) 11.783 33.377 ( 3.206 0.000 -5.272) 6.170 33.377 ( 3.206 0.000 5.272) 6.170 33.431 ( 4.400 0.000 -5.839) 7.311 33.431 ( 4.400 0.000 5.839) 7.311 33.509 ( -0.582 0.000 -6.280) 6.307 33.509 ( -0.582 0.000 6.280) 6.307 33.985 ( 9.624 0.000 -5.447) 11.059 33.985 ( 9.624 0.000 5.447) 11.059 34.080 ( 0.990 0.000 -0.371) 1.057 34.080 ( 0.990 0.000 0.371) 1.057 34.184 ( 5.857 0.000 -4.556) 7.420 34.184 ( 5.857 0.000 4.556) 7.420 34.257 ( -0.927 0.000 -12.169) 12.204 34.257 ( -0.927 0.000 12.169) 12.204 ======================= Grid point 99 (36/40) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.000 12.039 -6.838) 13.846 1.845 ( 0.000 12.039 6.838) 13.846 2.125 ( 0.000 -16.503 -3.300) 16.830 2.125 ( 0.000 -16.503 3.300) 16.830 2.607 ( 0.000 18.602 -32.214) 37.199 2.607 ( 0.000 18.602 32.214) 37.199 2.898 ( 0.000 14.829 -2.082) 14.975 2.898 ( 0.000 14.829 2.082) 14.975 2.992 ( 0.000 -16.615 -14.869) 22.297 2.992 ( 0.000 -16.615 14.869) 22.297 3.171 ( 0.000 -16.713 -7.718) 18.409 3.171 ( 0.000 -16.713 7.718) 18.409 3.550 ( 0.000 -0.109 -18.169) 18.170 3.550 ( 0.000 -0.109 18.169) 18.170 3.557 ( 0.000 -1.273 -19.968) 20.009 3.557 ( 0.000 -1.273 19.968) 20.009 4.104 ( 0.000 1.602 -15.842) 15.923 4.104 ( 0.000 1.602 15.842) 15.923 4.144 ( 0.000 -2.351 -26.811) 26.914 4.144 ( 0.000 -2.351 26.811) 26.914 4.278 ( 0.000 10.386 -9.287) 13.932 4.278 ( 0.000 10.386 9.287) 13.932 4.418 ( 0.000 -5.086 -8.953) 10.297 4.418 ( 0.000 -5.086 8.953) 10.297 4.748 ( 0.000 6.763 -12.373) 14.100 4.748 ( 0.000 6.763 12.373) 14.100 4.881 ( 0.000 -6.779 -9.388) 11.580 4.881 ( 0.000 -6.779 9.388) 11.580 5.199 ( 0.000 7.345 -4.205) 8.464 5.199 ( 0.000 7.345 4.205) 8.464 5.337 ( 0.000 -6.420 -2.189) 6.783 5.337 ( 0.000 -6.420 2.189) 6.783 5.722 ( 0.000 11.459 -7.127) 13.494 5.722 ( 0.000 11.459 7.127) 13.494 5.776 ( 0.000 1.712 -10.034) 10.179 5.776 ( 0.000 1.712 10.034) 10.179 5.851 ( 0.000 2.964 -6.022) 6.712 5.851 ( 0.000 2.964 6.022) 6.712 6.094 ( 0.000 -16.862 -6.354) 18.019 6.094 ( 0.000 -16.862 6.354) 18.019 6.528 ( 0.000 -0.281 -3.962) 3.972 6.528 ( 0.000 -0.281 3.962) 3.972 6.547 ( 0.000 -2.430 -7.853) 8.220 6.547 ( 0.000 -2.430 7.853) 8.220 7.158 ( 0.000 7.963 -5.629) 9.751 7.158 ( 0.000 7.963 5.629) 9.751 7.223 ( 0.000 13.193 -1.590) 13.288 7.223 ( 0.000 13.193 1.590) 13.288 7.357 ( 0.000 -5.621 -4.843) 7.420 7.357 ( 0.000 -5.621 4.843) 7.420 7.478 ( 0.000 -0.337 -12.103) 12.107 7.478 ( 0.000 -0.337 12.103) 12.107 7.566 ( 0.000 -10.471 -7.531) 12.898 7.566 ( 0.000 -10.471 7.531) 12.898 7.571 ( 0.000 -5.708 -12.680) 13.906 7.571 ( 0.000 -5.708 12.680) 13.906 7.927 ( 0.000 2.694 -18.542) 18.736 7.927 ( 0.000 2.694 18.542) 18.736 7.932 ( 0.000 3.613 -15.682) 16.093 7.932 ( 0.000 3.613 15.682) 16.093 8.106 ( 0.000 4.923 -4.283) 6.525 8.106 ( 0.000 4.923 4.283) 6.525 8.194 ( 0.000 -3.217 -9.206) 9.752 8.194 ( 0.000 -3.217 9.206) 9.752 8.324 ( 0.000 7.052 -15.731) 17.239 8.324 ( 0.000 7.052 15.731) 17.239 8.458 ( 0.000 -5.416 -10.643) 11.942 8.458 ( 0.000 -5.416 10.643) 11.942 8.719 ( 0.000 -0.772 -2.653) 2.763 8.719 ( 0.000 -0.772 2.653) 2.763 8.727 ( 0.000 -2.939 -5.839) 6.537 8.727 ( 0.000 -2.939 5.839) 6.537 9.019 ( 0.000 6.194 -12.728) 14.155 9.019 ( 0.000 6.194 12.728) 14.155 9.144 ( 0.000 -7.195 -7.286) 10.240 9.144 ( 0.000 -7.195 7.286) 10.240 9.623 ( 0.000 1.643 -4.115) 4.430 9.623 ( 0.000 1.643 4.115) 4.430 9.638 ( 0.000 0.226 -4.594) 4.600 9.638 ( 0.000 0.226 4.594) 4.600 10.193 ( 0.000 2.674 -7.092) 7.580 10.193 ( 0.000 2.674 7.092) 7.580 10.303 ( 0.000 -8.256 -3.891) 9.127 10.303 ( 0.000 -8.256 3.891) 9.127 10.541 ( 0.000 7.113 -4.866) 8.618 10.541 ( 0.000 7.113 4.866) 8.618 10.615 ( 0.000 0.192 -1.852) 1.862 10.615 ( 0.000 0.192 1.852) 1.862 10.769 ( 0.000 0.063 -0.794) 0.797 10.769 ( 0.000 0.063 0.794) 0.797 10.813 ( 0.000 -4.745 -2.132) 5.202 10.813 ( 0.000 -4.745 2.132) 5.202 11.095 ( 0.000 3.237 -15.082) 15.425 11.095 ( 0.000 3.237 15.082) 15.425 11.127 ( 0.000 5.868 -2.956) 6.571 11.127 ( 0.000 5.868 2.956) 6.571 11.159 ( 0.000 2.370 -7.373) 7.745 11.159 ( 0.000 2.370 7.373) 7.745 11.328 ( 0.000 -9.210 -4.425) 10.218 11.328 ( 0.000 -9.210 4.425) 10.218 11.520 ( 0.000 3.611 -4.387) 5.682 11.520 ( 0.000 3.611 4.387) 5.682 11.592 ( 0.000 -3.559 -3.391) 4.916 11.592 ( 0.000 -3.559 3.391) 4.916 11.842 ( 0.000 3.387 -4.809) 5.882 11.842 ( 0.000 3.387 4.809) 5.882 11.905 ( 0.000 -3.281 -4.954) 5.942 11.905 ( 0.000 -3.281 4.954) 5.942 12.090 ( 0.000 7.211 -9.758) 12.133 12.090 ( 0.000 7.211 9.758) 12.133 12.235 ( 0.000 -7.374 -14.024) 15.844 12.235 ( 0.000 -7.374 14.024) 15.844 12.826 ( 0.000 8.293 -8.257) 11.702 12.826 ( 0.000 8.293 8.257) 11.702 12.992 ( 0.000 -8.069 -10.069) 12.903 12.992 ( 0.000 -8.069 10.069) 12.903 13.331 ( 0.000 0.948 -4.586) 4.683 13.331 ( 0.000 0.948 4.586) 4.683 13.338 ( 0.000 0.430 -1.879) 1.928 13.338 ( 0.000 0.430 1.879) 1.928 13.973 ( 0.000 3.188 -4.979) 5.912 13.973 ( 0.000 3.188 4.979) 5.912 14.072 ( 0.000 -7.137 -4.983) 8.705 14.072 ( 0.000 -7.137 4.983) 8.705 14.415 ( 0.000 8.596 -4.776) 9.833 14.415 ( 0.000 8.596 4.776) 9.833 14.566 ( 0.000 -6.966 -3.343) 7.727 14.566 ( 0.000 -6.966 3.343) 7.727 15.402 ( 0.000 0.781 -2.248) 2.380 15.402 ( 0.000 0.781 2.248) 2.380 15.410 ( 0.000 -0.077 -2.377) 2.378 15.410 ( 0.000 -0.077 2.377) 2.378 15.965 ( 0.000 0.214 -10.762) 10.764 15.965 ( 0.000 0.214 10.762) 10.764 16.058 ( 0.000 -9.500 -10.220) 13.954 16.058 ( 0.000 -9.500 10.220) 13.954 16.469 ( 0.000 5.816 -8.046) 9.928 16.469 ( 0.000 5.816 8.046) 9.928 16.532 ( 0.000 -1.181 -15.603) 15.648 16.532 ( 0.000 -1.181 15.603) 15.648 16.954 ( 0.000 13.948 -18.888) 23.480 16.954 ( 0.000 13.948 18.888) 23.480 17.107 ( 0.000 3.162 -12.758) 13.144 17.107 ( 0.000 3.162 12.758) 13.144 17.448 ( 0.000 -1.679 -9.975) 10.115 17.448 ( 0.000 -1.679 9.975) 10.115 17.619 ( 0.000 -14.000 -24.092) 27.864 17.619 ( 0.000 -14.000 24.092) 27.864 18.646 ( 0.000 5.053 -6.965) 8.605 18.646 ( 0.000 5.053 6.965) 8.605 18.743 ( 0.000 -4.713 -4.375) 6.431 18.743 ( 0.000 -4.713 4.375) 6.431 19.833 ( 0.000 8.243 -12.136) 14.671 19.833 ( 0.000 8.243 12.136) 14.671 20.027 ( 0.000 -11.270 -18.053) 21.282 20.027 ( 0.000 -11.270 18.053) 21.282 20.701 ( 0.000 7.124 -4.980) 8.692 20.701 ( 0.000 7.124 4.980) 8.692 20.822 ( 0.000 -5.100 -4.309) 6.677 20.822 ( 0.000 -5.100 4.309) 6.677 23.859 ( 0.000 1.562 -1.445) 2.128 23.859 ( 0.000 1.562 1.445) 2.128 23.896 ( 0.000 -2.267 -1.428) 2.679 23.896 ( 0.000 -2.267 1.428) 2.679 24.050 ( 0.000 3.011 -2.896) 4.178 24.050 ( 0.000 3.011 2.896) 4.178 24.099 ( 0.000 -1.839 -2.776) 3.330 24.099 ( 0.000 -1.839 2.776) 3.330 24.422 ( 0.000 0.717 -1.105) 1.317 24.422 ( 0.000 0.717 1.105) 1.317 24.431 ( 0.000 -0.361 -0.818) 0.895 24.431 ( 0.000 -0.361 0.818) 0.895 24.817 ( 0.000 37.578 -4.192) 37.811 24.817 ( 0.000 37.578 4.192) 37.811 25.097 ( 0.000 1.506 -2.686) 3.079 25.097 ( 0.000 1.506 2.686) 3.079 25.101 ( 0.000 -0.826 -1.435) 1.656 25.101 ( 0.000 -0.826 1.435) 1.656 25.616 ( 0.000 -41.557 -20.206) 46.209 25.616 ( 0.000 -41.557 20.206) 46.209 26.781 ( 0.000 16.560 -26.906) 31.594 26.781 ( 0.000 16.560 26.906) 31.594 27.003 ( 0.000 -7.683 -26.645) 27.730 27.003 ( 0.000 -7.683 26.645) 27.730 27.390 ( 0.000 0.166 -1.716) 1.724 27.390 ( 0.000 0.166 1.716) 1.724 27.393 ( 0.000 -0.205 -1.143) 1.162 27.393 ( 0.000 -0.205 1.143) 1.162 27.991 ( 0.000 2.860 -5.456) 6.160 27.991 ( 0.000 2.860 5.456) 6.160 28.051 ( 0.000 -3.026 -10.328) 10.762 28.051 ( 0.000 -3.026 10.328) 10.762 29.869 ( 0.000 8.596 -15.824) 18.009 29.869 ( 0.000 8.596 15.824) 18.009 30.058 ( 0.000 -10.109 -11.065) 14.988 30.058 ( 0.000 -10.109 11.065) 14.988 31.791 ( 0.000 0.017 -0.497) 0.497 31.791 ( 0.000 0.006 -0.240) 0.240 31.791 ( 0.000 0.006 0.238) 0.238 31.791 ( 0.000 0.017 0.499) 0.499 32.144 ( 0.000 7.399 -12.502) 14.527 32.144 ( 0.000 7.399 12.502) 14.527 32.261 ( 0.000 -3.584 -10.531) 11.124 32.261 ( 0.000 -3.584 10.531) 11.124 32.297 ( 0.000 0.060 -0.626) 0.629 32.297 ( 0.000 0.060 0.626) 0.629 32.306 ( 0.000 -1.588 -7.488) 7.654 32.306 ( 0.000 -1.588 7.488) 7.654 33.231 ( 0.000 0.991 -1.821) 2.073 33.231 ( 0.000 0.991 1.821) 2.073 33.257 ( 0.000 -1.764 -1.859) 2.563 33.257 ( 0.000 -1.764 1.859) 2.563 33.951 ( 0.000 15.288 -3.124) 15.604 33.951 ( 0.000 15.288 3.124) 15.604 34.273 ( 0.000 -16.498 -12.152) 20.491 34.273 ( 0.000 -16.498 12.152) 20.491 ======================= Grid point 101 (37/40) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 33.867 7.347 -15.891) 38.124 2.540 ( 33.867 7.347 15.891) 38.124 2.695 ( 42.758 -2.430 -4.198) 43.032 2.695 ( 42.758 -2.430 4.198) 43.032 2.842 ( 32.372 5.777 -16.894) 36.969 2.842 ( 32.372 5.777 16.894) 36.969 3.108 ( 19.289 -10.316 -10.865) 24.424 3.108 ( 19.289 -10.316 10.865) 24.424 3.314 ( -2.856 -0.187 -10.704) 11.080 3.314 ( -2.856 -0.187 10.705) 11.080 3.331 ( 2.933 -0.947 -14.171) 14.503 3.331 ( 2.933 -0.947 14.171) 14.503 3.571 ( 23.366 0.543 -6.598) 24.285 3.571 ( 23.366 0.543 6.598) 24.285 3.668 ( 28.061 -6.405 -5.273) 29.262 3.668 ( 28.061 -6.405 5.273) 29.262 4.208 ( 8.802 2.668 -15.583) 18.095 4.208 ( 8.802 2.668 15.583) 18.095 4.240 ( 7.155 -0.800 -11.370) 13.457 4.240 ( 7.155 -0.800 11.370) 13.457 4.461 ( 17.304 8.000 -4.482) 19.583 4.461 ( 17.304 8.000 4.482) 19.583 4.551 ( 10.100 -2.315 -6.677) 12.327 4.551 ( 10.100 -2.315 6.677) 12.327 4.755 ( 5.212 5.728 -10.202) 12.809 4.755 ( 5.212 5.728 10.202) 12.809 4.891 ( 2.790 -8.163 -5.294) 10.122 4.891 ( 2.790 -8.163 5.294) 10.122 5.220 ( 2.323 7.559 -4.312) 9.007 5.220 ( 2.323 7.559 4.312) 9.007 5.361 ( 2.036 -5.839 -5.130) 8.035 5.361 ( 2.036 -5.839 5.130) 8.035 5.724 ( -0.855 5.300 -6.916) 8.755 5.724 ( -0.855 5.300 6.916) 8.755 5.793 ( 0.054 -1.631 -6.065) 6.281 5.793 ( 0.054 -1.631 6.065) 6.281 5.958 ( 14.088 8.038 -5.323) 17.071 5.958 ( 14.088 8.038 5.323) 17.071 6.183 ( 9.244 -13.375 -7.830) 18.046 6.183 ( 9.244 -13.375 7.830) 18.046 6.607 ( 6.271 1.129 -3.085) 7.079 6.607 ( 6.271 1.129 3.085) 7.079 6.653 ( 9.513 -4.017 -6.914) 12.428 6.653 ( 9.513 -4.017 6.914) 12.428 7.055 ( -6.432 6.725 -5.589) 10.855 7.055 ( -6.432 6.725 5.589) 10.855 7.200 ( -6.559 -4.478 -2.659) 8.375 7.200 ( -6.559 -4.478 2.659) 8.375 7.284 ( -0.779 10.199 -2.945) 10.644 7.284 ( -0.779 10.199 2.945) 10.644 7.472 ( -3.679 -5.006 -1.892) 6.494 7.472 ( -3.679 -5.006 1.892) 6.494 7.579 ( 2.417 -2.022 -4.965) 5.881 7.579 ( 2.417 -2.022 4.965) 5.881 7.623 ( 2.369 -5.934 -7.903) 10.162 7.623 ( 2.369 -5.934 7.903) 10.162 7.888 ( -5.856 7.723 -3.252) 10.224 7.888 ( -5.856 7.723 3.252) 10.224 7.957 ( -3.541 -0.080 -5.460) 6.508 7.957 ( -3.541 -0.080 5.460) 6.508 8.084 ( -0.062 0.767 -2.528) 2.642 8.084 ( -0.062 0.767 2.528) 2.642 8.127 ( 0.911 -2.580 -4.045) 4.884 8.127 ( 0.911 -2.580 4.045) 4.884 8.307 ( -3.782 6.776 -8.089) 11.209 8.307 ( -3.782 6.776 8.089) 11.209 8.445 ( 3.169 -6.103 -8.008) 10.555 8.445 ( 3.169 -6.103 8.008) 10.555 8.718 ( 2.376 3.180 -9.754) 10.531 8.718 ( 2.376 3.180 9.754) 10.531 8.805 ( 5.532 -4.822 -11.797) 13.894 8.805 ( 5.532 -4.822 11.797) 13.894 9.089 ( 4.698 6.921 -8.029) 11.595 9.089 ( 4.698 6.921 8.029) 11.595 9.236 ( 3.277 -7.517 -7.215) 10.923 9.236 ( 3.277 -7.517 7.215) 10.923 9.560 ( -4.758 2.700 -3.863) 6.697 9.560 ( -4.758 2.700 3.863) 6.697 9.607 ( -1.666 -1.596 -4.385) 4.955 9.607 ( -1.666 -1.596 4.385) 4.955 10.063 ( -11.463 4.314 -5.621) 13.476 10.063 ( -11.463 4.314 5.621) 13.476 10.188 ( -11.055 -8.152 -3.795) 14.250 10.188 ( -11.055 -8.152 3.795) 14.250 10.478 ( -4.614 6.396 -4.060) 8.870 10.478 ( -4.614 6.396 4.060) 8.870 10.570 ( -4.126 -1.327 -2.939) 5.236 10.570 ( -4.126 -1.327 2.939) 5.236 10.735 ( -1.692 2.503 -4.474) 5.399 10.735 ( -1.692 2.503 4.474) 5.399 10.836 ( 0.031 -6.449 -1.863) 6.713 10.836 ( 0.031 -6.449 1.863) 6.713 10.998 ( -5.936 4.247 -10.290) 12.616 10.998 ( -5.936 4.247 10.290) 12.616 11.070 ( -5.078 -1.709 -5.522) 7.694 11.070 ( -5.078 -1.709 5.522) 7.694 11.206 ( 2.615 4.708 -2.518) 5.945 11.206 ( 2.615 4.708 2.518) 5.945 11.307 ( -2.297 -3.529 -3.853) 5.708 11.307 ( -2.297 -3.529 3.853) 5.708 11.544 ( 2.520 1.555 -5.118) 5.913 11.544 ( 2.520 1.555 5.118) 5.913 11.583 ( -2.506 -1.792 -3.921) 4.987 11.583 ( -2.506 -1.792 3.921) 4.987 11.902 ( 2.247 2.865 -2.309) 4.311 11.902 ( 2.247 2.865 2.309) 4.311 11.963 ( 2.336 -3.213 -3.089) 5.032 11.963 ( 2.336 -3.213 3.089) 5.032 12.135 ( 7.177 3.537 -7.276) 10.815 12.135 ( 7.177 3.537 7.276) 10.815 12.208 ( 2.919 -3.523 -5.731) 7.334 12.208 ( 2.919 -3.523 5.731) 7.334 12.793 ( -2.013 7.532 -5.078) 9.305 12.793 ( -2.013 7.532 5.078) 9.305 12.952 ( -2.349 -8.036 -7.687) 11.366 12.952 ( -2.349 -8.036 7.687) 11.366 13.498 ( 10.629 2.836 -2.304) 11.240 13.498 ( 10.629 2.836 2.304) 11.240 13.567 ( 14.203 -4.164 -1.492) 14.875 13.567 ( 14.203 -4.164 1.492) 14.875 13.924 ( 1.278 9.131 -5.808) 10.897 13.924 ( 1.278 9.131 5.808) 10.897 14.102 ( 3.151 -9.330 -5.516) 11.287 14.102 ( 3.151 -9.330 5.516) 11.287 14.521 ( 9.210 10.419 -4.236) 14.537 14.521 ( 9.210 10.419 4.236) 14.537 14.726 ( 13.746 -10.514 -7.469) 18.849 14.726 ( 13.746 -10.514 7.469) 18.849 15.319 ( -6.919 1.813 -3.221) 7.844 15.319 ( -6.919 1.813 3.221) 7.844 15.348 ( -5.359 -1.155 -3.024) 6.261 15.348 ( -5.359 -1.155 3.024) 6.261 15.972 ( 0.958 1.401 -10.940) 11.071 15.972 ( 0.958 1.401 10.940) 11.071 16.089 ( 2.915 -10.574 -10.428) 15.135 16.089 ( 2.915 -10.574 10.428) 15.135 16.491 ( 2.533 9.457 -8.925) 13.248 16.491 ( 2.533 9.457 8.925) 13.248 16.630 ( 7.169 -3.697 -12.751) 15.088 16.630 ( 7.169 -3.697 12.751) 15.088 16.947 ( -0.018 13.125 -14.013) 19.200 16.947 ( -0.018 13.125 14.013) 19.200 17.137 ( 2.045 0.961 -11.134) 11.361 17.137 ( 2.045 0.961 11.134) 11.361 17.464 ( 1.570 0.838 -3.771) 4.170 17.464 ( 1.570 0.838 3.771) 4.170 17.669 ( 3.363 -14.717 -17.584) 23.175 17.669 ( 3.363 -14.717 17.584) 23.175 18.492 ( -15.148 3.681 -8.563) 17.786 18.492 ( -15.148 3.681 8.563) 17.786 18.546 ( -15.321 -1.542 -7.837) 17.278 18.546 ( -15.321 -1.542 7.837) 17.278 19.835 ( 0.747 6.685 -11.483) 13.308 19.835 ( 0.747 6.685 11.483) 13.308 19.988 ( -3.029 -8.585 -17.147) 19.413 19.988 ( -3.029 -8.585 17.147) 19.413 20.671 ( -1.421 4.052 -4.418) 6.161 20.671 ( -1.421 4.052 4.418) 6.161 20.746 ( -4.940 -3.325 -4.263) 7.323 20.746 ( -4.940 -3.325 4.263) 7.323 23.663 ( -17.355 0.947 -1.152) 17.419 23.663 ( -17.355 0.947 1.152) 17.419 23.688 ( -17.919 -1.557 -1.340) 18.036 23.688 ( -17.919 -1.557 1.340) 18.036 23.850 ( -16.191 3.837 -1.596) 16.716 23.850 ( -16.191 3.837 1.596) 16.716 23.935 ( -14.528 -4.797 -1.256) 15.351 23.935 ( -14.528 -4.797 1.256) 15.351 24.434 ( 2.979 7.720 -0.565) 8.295 24.434 ( 2.979 7.720 0.565) 8.295 24.564 ( 5.601 -4.635 -0.266) 7.275 24.564 ( 5.601 -4.635 0.266) 7.275 24.783 ( -2.830 32.006 -2.694) 32.243 24.783 ( -2.830 32.006 2.694) 32.243 25.168 ( 5.929 0.166 -1.449) 6.106 25.168 ( 5.929 0.166 1.449) 6.106 25.200 ( 7.225 0.077 -1.029) 7.298 25.200 ( 7.225 0.077 1.029) 7.298 25.572 ( -3.765 -38.136 -16.785) 41.836 25.572 ( -3.765 -38.136 16.785) 41.836 26.703 ( -7.154 17.670 -24.650) 31.161 26.703 ( -7.154 17.670 24.650) 31.161 26.940 ( -6.187 -8.230 -24.981) 27.020 26.940 ( -6.187 -8.230 24.981) 27.020 27.390 ( -0.125 0.123 -1.102) 1.116 27.390 ( -0.125 0.123 1.102) 1.116 27.393 ( -0.065 -0.140 -1.098) 1.108 27.393 ( -0.065 -0.140 1.098) 1.108 27.932 ( -5.578 2.090 -4.573) 7.510 27.932 ( -5.578 2.090 4.573) 7.510 27.976 ( -6.854 -2.254 -8.559) 11.194 27.976 ( -6.854 -2.254 8.559) 11.194 29.714 ( -11.960 6.750 -13.300) 19.118 29.714 ( -11.960 6.750 13.300) 19.118 29.860 ( -14.797 -7.638 -9.227) 19.038 29.860 ( -14.797 -7.638 9.227) 19.038 31.659 ( -17.017 1.322 -10.593) 20.088 31.659 ( -17.017 1.322 10.593) 20.088 31.682 ( -14.532 -0.965 -14.549) 20.586 31.682 ( -14.532 -0.965 14.549) 20.586 32.218 ( 16.203 1.912 -1.291) 16.366 32.218 ( 16.203 1.912 1.291) 16.366 32.252 ( 12.084 -1.399 -1.330) 12.237 32.252 ( 12.084 -1.399 1.330) 12.237 32.634 ( 22.019 1.978 -2.394) 22.236 32.634 ( 22.019 1.978 2.394) 22.236 32.671 ( 21.845 -1.672 -1.605) 21.968 32.671 ( 21.845 -1.672 1.605) 21.968 33.307 ( 6.234 1.062 -1.076) 6.415 33.307 ( 6.234 1.062 1.076) 6.415 33.329 ( 7.601 -1.092 -1.070) 7.753 33.329 ( 7.601 -1.092 1.070) 7.753 33.934 ( -0.423 12.965 -4.087) 13.601 33.934 ( -0.423 12.965 4.087) 13.601 34.209 ( -4.529 -14.052 -12.361) 19.255 34.209 ( -4.529 -14.052 12.361) 19.255 ======================= Grid point 103 (38/40) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 7.468 13.270 -5.860) 16.316 2.881 ( 7.468 13.270 5.860) 16.316 3.131 ( -4.788 -5.469 -12.292) 14.281 3.131 ( -4.788 -5.469 12.292) 14.281 3.270 ( 8.892 -5.795 -2.654) 10.940 3.270 ( 8.892 -5.795 2.654) 10.940 3.288 ( 11.624 -8.280 -8.998) 16.872 3.288 ( 11.624 -8.280 8.998) 16.872 3.694 ( 27.815 1.713 -6.280) 28.567 3.694 ( 27.815 1.713 6.280) 28.567 3.734 ( 27.599 -2.074 -5.897) 28.298 3.734 ( 27.599 -2.074 5.897) 28.298 4.130 ( 8.639 4.731 -3.713) 10.526 4.130 ( 8.639 4.731 3.713) 10.526 4.200 ( 9.199 -1.576 -1.647) 9.478 4.200 ( 9.199 -1.576 1.647) 9.478 4.382 ( 9.184 8.435 -8.084) 14.861 4.382 ( 9.184 8.435 8.084) 14.861 4.504 ( 21.817 -4.403 -6.982) 23.327 4.504 ( 21.817 -4.403 6.982) 23.327 4.802 ( 19.079 3.912 -6.627) 20.573 4.802 ( 19.079 3.912 6.627) 20.573 4.919 ( 20.141 -5.587 -9.829) 23.098 4.919 ( 20.141 -5.587 9.829) 23.098 5.045 ( 13.630 7.229 -6.651) 16.800 5.045 ( 13.630 7.229 6.651) 16.800 5.120 ( 17.863 -1.264 -4.294) 18.416 5.120 ( 17.863 -1.264 4.294) 18.416 5.433 ( 19.682 1.302 -2.775) 19.920 5.433 ( 19.682 1.302 2.775) 19.920 5.555 ( 20.271 -6.937 -0.646) 21.435 5.555 ( 20.271 -6.937 0.646) 21.435 5.761 ( 10.335 2.181 -7.104) 12.729 5.761 ( 10.335 2.181 7.104) 12.729 5.817 ( 7.317 -2.543 -4.068) 8.750 5.817 ( 7.317 -2.543 4.068) 8.750 6.410 ( 25.233 5.202 -7.977) 26.970 6.410 ( 25.233 5.202 7.977) 26.970 6.506 ( 20.562 -3.114 -8.328) 22.402 6.506 ( 20.562 -3.114 8.328) 22.402 6.732 ( 2.365 3.074 -3.707) 5.365 6.732 ( 2.365 3.074 3.707) 5.365 6.813 ( 1.222 -3.325 -3.252) 4.809 6.813 ( 1.222 -3.325 3.252) 4.809 6.951 ( -0.583 2.149 -1.612) 2.749 6.951 ( -0.583 2.149 1.612) 2.749 7.079 ( -1.993 -8.252 -3.729) 9.272 7.079 ( -1.993 -8.252 3.729) 9.272 7.302 ( 3.064 5.934 -2.404) 7.098 7.302 ( 3.064 5.934 2.404) 7.098 7.364 ( -3.132 -1.729 -3.789) 5.212 7.364 ( -3.132 -1.729 3.789) 5.212 7.603 ( -0.184 -0.005 -8.932) 8.934 7.603 ( -0.184 -0.005 8.932) 8.934 7.637 ( -0.671 -3.182 -8.075) 8.705 7.637 ( -0.671 -3.182 8.075) 8.705 7.768 ( -3.433 4.580 -5.427) 7.888 7.768 ( -3.433 4.580 5.427) 7.888 7.821 ( -5.594 -0.901 -4.431) 7.193 7.821 ( -5.594 -0.901 4.431) 7.193 8.098 ( 0.368 2.534 -9.901) 10.227 8.098 ( 0.368 2.534 9.901) 10.227 8.140 ( 4.260 -2.006 -9.730) 10.810 8.140 ( 4.260 -2.006 9.730) 10.810 8.385 ( 7.579 8.381 -5.705) 12.659 8.385 ( 7.579 8.381 5.705) 12.659 8.557 ( 4.539 -8.232 -8.533) 12.696 8.557 ( 4.539 -8.232 8.533) 12.696 8.795 ( 3.476 5.588 -6.872) 9.515 8.795 ( 3.476 5.588 6.872) 9.515 8.899 ( 2.679 -4.017 -1.981) 5.219 8.899 ( 2.679 -4.017 1.981) 5.219 9.090 ( -5.013 2.991 -4.161) 7.169 9.090 ( -5.013 2.991 4.161) 7.169 9.192 ( -5.387 -6.935 -7.628) 11.632 9.192 ( -5.387 -6.935 7.628) 11.632 9.479 ( -2.939 6.874 -5.972) 9.568 9.479 ( -2.939 6.874 5.972) 9.568 9.585 ( -2.920 -4.732 -4.317) 7.040 9.585 ( -2.920 -4.732 4.317) 7.040 9.791 ( -12.120 4.993 -3.367) 13.533 9.791 ( -12.120 4.993 3.367) 13.533 9.913 ( -12.859 -8.384 -3.245) 15.690 9.913 ( -12.859 -8.384 3.245) 15.690 10.338 ( -9.564 8.805 -3.061) 13.356 10.338 ( -9.564 8.805 3.061) 13.356 10.446 ( -7.208 -0.975 -1.820) 7.498 10.446 ( -7.208 -0.975 1.820) 7.498 10.685 ( -3.549 1.560 -7.977) 8.869 10.685 ( -3.549 1.560 7.977) 8.869 10.804 ( -3.184 -6.963 -4.302) 8.783 10.804 ( -3.184 -6.963 4.302) 8.783 10.902 ( -3.176 0.924 -4.397) 5.502 10.902 ( -3.176 0.924 4.397) 5.502 10.956 ( -4.225 -4.418 -3.113) 6.860 10.956 ( -4.225 -4.418 3.113) 6.860 11.226 ( -2.115 3.786 -3.469) 5.554 11.226 ( -2.115 3.786 3.469) 5.554 11.257 ( -1.742 0.990 -1.715) 2.637 11.257 ( -1.742 0.990 1.715) 2.637 11.480 ( -6.446 4.331 -3.963) 8.719 11.480 ( -6.446 4.331 3.963) 8.719 11.570 ( -1.225 -3.558 -3.978) 5.476 11.570 ( -1.225 -3.558 3.978) 5.476 11.902 ( 1.447 4.774 -2.205) 5.454 11.902 ( 1.447 4.774 2.205) 5.454 12.015 ( 4.494 -6.190 -3.126) 8.264 12.015 ( 4.494 -6.190 3.126) 8.264 12.333 ( 8.905 5.522 -6.180) 12.165 12.333 ( 8.905 5.522 6.180) 12.165 12.434 ( 14.110 -4.393 -5.844) 15.892 12.434 ( 14.110 -4.393 5.844) 15.892 12.799 ( 3.847 6.294 -4.119) 8.449 12.799 ( 3.847 6.294 4.119) 8.449 12.941 ( 2.588 -7.771 -2.853) 8.673 12.941 ( 2.588 -7.771 2.853) 8.673 13.607 ( -1.444 3.449 -7.043) 7.974 13.607 ( -1.444 3.449 7.043) 7.974 13.670 ( 1.631 -2.860 -4.846) 5.859 13.670 ( 1.631 -2.860 4.846) 5.859 14.169 ( 11.264 1.442 -2.517) 11.631 14.169 ( 11.264 1.442 2.517) 11.631 14.196 ( 7.070 -1.225 -0.876) 7.229 14.196 ( 7.070 -1.225 0.876) 7.229 14.742 ( 8.137 11.405 -5.426) 15.024 14.742 ( 8.137 11.405 5.426) 15.024 14.977 ( -0.425 -11.240 -3.882) 11.899 14.977 ( -0.425 -11.240 3.882) 11.899 15.226 ( 2.574 1.831 -3.284) 4.557 15.226 ( 2.574 1.831 3.284) 4.557 15.284 ( 7.483 -4.910 -9.311) 12.915 15.284 ( 7.483 -4.910 9.311) 12.915 16.020 ( 3.708 5.146 -10.980) 12.680 16.020 ( 3.708 5.146 10.980) 12.680 16.172 ( 4.368 -10.104 -10.086) 14.930 16.172 ( 4.368 -10.104 10.086) 14.930 16.558 ( 3.880 10.236 -10.032) 14.848 16.558 ( 3.880 10.236 10.032) 14.848 16.755 ( 3.265 -9.127 -11.594) 15.112 16.755 ( 3.265 -9.127 11.594) 15.112 16.969 ( 1.901 14.592 -7.584) 16.555 16.969 ( 1.901 14.592 7.584) 16.555 17.162 ( -0.059 1.197 -10.482) 10.550 17.162 ( -0.059 1.197 10.482) 10.550 17.499 ( 1.062 -1.230 -5.424) 5.662 17.499 ( 1.062 -1.230 5.424) 5.662 17.659 ( -6.204 -13.527 -2.744) 15.132 17.659 ( -6.204 -13.527 2.744) 15.132 18.124 ( -14.402 8.088 -15.054) 22.348 18.124 ( -14.402 8.088 15.054) 22.348 18.225 ( -14.653 -3.037 -11.371) 18.794 18.225 ( -14.653 -3.037 11.371) 18.794 19.908 ( 7.479 3.221 -5.211) 9.668 19.908 ( 7.479 3.221 5.211) 9.668 19.982 ( 5.620 -4.180 -7.674) 10.390 19.982 ( 5.620 -4.180 7.674) 10.390 20.687 ( 4.607 3.118 -5.020) 7.493 20.687 ( 4.607 3.118 5.020) 7.493 20.751 ( 6.854 -3.244 -7.744) 10.838 20.751 ( 6.854 -3.244 7.744) 10.838 23.182 ( -27.803 0.544 -5.023) 28.258 23.182 ( -27.803 0.544 5.023) 28.258 23.200 ( -28.409 -1.323 -5.977) 29.061 23.200 ( -28.409 -1.323 5.977) 29.061 23.422 ( -24.403 4.764 -1.708) 24.922 23.422 ( -24.403 4.764 1.708) 24.922 23.523 ( -24.559 -5.435 -1.965) 25.230 23.523 ( -24.559 -5.435 1.965) 25.230 24.474 ( 0.605 9.539 -0.758) 9.588 24.474 ( 0.605 9.539 0.758) 9.588 24.632 ( 0.829 0.354 -0.367) 0.973 24.632 ( 0.829 0.354 0.367) 0.973 24.716 ( -3.057 18.307 -1.299) 18.606 24.716 ( -3.057 18.307 1.299) 18.606 25.227 ( -3.270 -19.727 -4.025) 20.398 25.227 ( -3.270 -19.727 4.025) 20.398 25.370 ( 8.769 4.292 -0.361) 9.770 25.370 ( 8.769 4.292 0.361) 9.770 25.531 ( 2.802 -17.473 -6.324) 18.792 25.531 ( 2.802 -17.473 6.324) 18.792 26.508 ( -10.713 17.670 -18.890) 27.997 26.508 ( -10.713 17.670 18.890) 27.997 26.751 ( -11.292 -8.593 -20.569) 24.989 26.751 ( -11.292 -8.593 20.569) 24.989 27.375 ( -1.462 0.287 -2.354) 2.786 27.375 ( -1.462 0.287 2.354) 2.786 27.381 ( -1.302 -0.335 -2.135) 2.523 27.381 ( -1.302 -0.335 2.135) 2.523 27.763 ( -10.076 0.904 -2.881) 10.519 27.763 ( -10.076 0.904 2.881) 10.519 27.783 ( -10.873 -1.042 -4.990) 12.009 27.783 ( -10.873 -1.042 4.990) 12.009 29.490 ( -7.610 4.453 -8.210) 12.047 29.490 ( -7.610 4.453 8.210) 12.047 29.586 ( -9.449 -5.069 -6.206) 12.389 29.586 ( -9.449 -5.069 6.206) 12.389 31.170 ( -27.671 3.469 -15.130) 31.728 31.170 ( -27.671 3.469 15.130) 31.728 31.235 ( -26.341 -2.968 -23.454) 35.394 31.235 ( -26.341 -2.968 23.454) 35.394 32.600 ( 19.967 2.837 -4.340) 20.629 32.600 ( 19.967 2.837 4.340) 20.629 32.665 ( 21.736 -3.644 -6.388) 22.946 32.665 ( 21.736 -3.644 6.388) 22.946 33.074 ( 17.800 2.219 -0.823) 17.957 33.074 ( 17.800 2.219 0.823) 17.957 33.127 ( 19.342 -3.349 -2.228) 19.756 33.127 ( 19.342 -3.349 2.228) 19.756 33.483 ( 11.313 5.987 -5.942) 14.112 33.483 ( 11.313 5.987 5.942) 14.112 33.571 ( 14.476 -3.141 -6.168) 16.045 33.571 ( 14.476 -3.141 6.168) 16.045 33.977 ( 4.636 8.027 -6.336) 11.228 33.977 ( 4.636 8.027 6.336) 11.228 34.153 ( -0.049 -9.145 -13.243) 16.094 34.153 ( -0.049 -9.145 13.243) 16.094 ======================= Grid point 105 (39/40) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 4.660 7.760 -7.388) 11.684 2.963 ( 4.660 7.760 7.388) 11.684 3.102 ( 3.021 -5.161 -8.669) 10.532 3.102 ( 3.021 -5.161 8.669) 10.532 3.513 ( 7.828 -1.466 -4.333) 9.067 3.513 ( 7.828 -1.466 4.333) 9.067 3.562 ( 13.759 -5.358 -8.018) 16.802 3.562 ( 13.759 -5.358 8.018) 16.802 3.938 ( -2.837 3.993 -5.455) 7.332 3.938 ( -2.837 3.993 5.456) 7.332 4.030 ( -2.557 -4.986 -8.091) 9.842 4.030 ( -2.557 -4.986 8.091) 9.842 4.236 ( 7.629 4.758 -3.373) 9.603 4.236 ( 7.629 4.758 3.373) 9.603 4.301 ( 14.622 -1.358 -5.509) 15.684 4.301 ( 14.622 -1.358 5.509) 15.684 4.635 ( 13.868 9.272 -7.121) 18.138 4.635 ( 13.868 9.272 7.121) 18.138 4.779 ( 4.341 -4.380 -11.872) 13.378 4.779 ( 4.341 -4.380 11.872) 13.378 4.975 ( 3.713 2.440 -5.751) 7.267 4.975 ( 3.713 2.440 5.751) 7.267 5.066 ( 2.970 -3.579 -2.695) 5.375 5.066 ( 2.970 -3.579 2.695) 5.375 5.455 ( -0.214 4.260 -8.552) 9.556 5.455 ( -0.214 4.260 8.552) 9.556 5.524 ( 13.515 -1.006 -8.000) 15.737 5.524 ( 13.515 -1.006 8.000) 15.737 5.762 ( 15.211 -2.963 -1.911) 15.615 5.762 ( 15.211 -2.963 1.911) 15.615 5.802 ( 19.834 -6.614 -4.008) 21.288 5.802 ( 19.834 -6.614 4.008) 21.288 6.248 ( 16.208 2.723 -2.421) 16.613 6.248 ( 16.208 2.723 2.421) 16.613 6.276 ( 10.842 -1.221 -5.001) 12.002 6.276 ( 10.842 -1.221 5.001) 12.002 6.564 ( 8.319 4.805 -1.840) 9.782 6.564 ( 8.319 4.805 1.840) 9.782 6.669 ( -1.977 -6.052 -2.713) 6.921 6.669 ( -1.977 -6.052 2.713) 6.921 6.888 ( 10.777 3.273 -6.308) 12.909 6.888 ( 10.777 3.273 6.308) 12.909 6.910 ( 5.383 1.887 -7.011) 9.038 6.910 ( 5.383 1.887 7.011) 9.038 7.149 ( 6.123 3.919 -1.276) 7.381 7.149 ( 6.123 3.919 1.276) 7.381 7.217 ( 17.573 -2.449 -5.295) 18.516 7.217 ( 17.573 -2.449 5.295) 18.516 7.404 ( 5.651 0.330 -2.821) 6.325 7.404 ( 5.651 0.330 2.821) 6.325 7.439 ( 10.022 -2.327 -5.672) 11.749 7.439 ( 10.022 -2.327 5.672) 11.749 7.580 ( -0.136 1.494 -9.749) 9.863 7.580 ( -0.136 1.494 9.749) 9.863 7.647 ( 3.625 -3.417 -11.375) 12.418 7.647 ( 3.625 -3.417 11.375) 12.418 7.802 ( 6.498 1.616 -6.895) 9.612 7.802 ( 6.498 1.616 6.895) 9.612 7.851 ( 9.704 -2.486 -6.483) 11.932 7.851 ( 9.704 -2.486 6.483) 11.932 8.229 ( 13.197 3.815 -4.361) 14.413 8.229 ( 13.197 3.815 4.361) 14.413 8.293 ( 10.069 -2.927 -3.423) 11.031 8.293 ( 10.069 -2.927 3.423) 11.031 8.469 ( -0.430 4.465 -5.477) 7.079 8.469 ( -0.430 4.465 5.477) 7.079 8.554 ( -3.414 -2.680 -8.479) 9.525 8.554 ( -3.414 -2.680 8.479) 9.525 8.801 ( -4.169 6.018 -3.126) 7.960 8.801 ( -4.169 6.018 3.126) 7.960 8.877 ( -1.136 -1.726 -0.912) 2.259 8.877 ( -1.136 -1.726 0.913) 2.259 9.077 ( -2.607 -2.622 -5.534) 6.656 9.077 ( -2.607 -2.622 5.534) 6.656 9.087 ( 2.247 -3.537 -3.538) 5.484 9.087 ( 2.247 -3.537 3.538) 5.484 9.365 ( -7.004 4.389 -2.147) 8.539 9.365 ( -7.004 4.389 2.147) 8.540 9.455 ( -8.490 -3.280 -1.427) 9.212 9.455 ( -8.490 -3.280 1.427) 9.212 9.600 ( -6.245 3.777 -1.891) 7.540 9.600 ( -6.245 3.777 1.891) 7.540 9.702 ( -7.734 -7.548 -1.310) 10.886 9.702 ( -7.734 -7.548 1.310) 10.886 10.093 ( -12.864 12.105 -4.603) 18.254 10.093 ( -12.864 12.105 4.603) 18.254 10.266 ( -10.608 -4.534 -3.837) 12.158 10.266 ( -10.608 -4.534 3.837) 12.158 10.606 ( -3.070 1.850 -9.482) 10.137 10.606 ( -3.070 1.850 9.482) 10.137 10.714 ( -4.307 -7.130 -8.236) 11.714 10.714 ( -4.307 -7.130 8.236) 11.714 10.835 ( -3.146 0.518 -0.574) 3.240 10.835 ( -3.146 0.518 0.574) 3.240 10.913 ( -1.934 -6.086 -4.177) 7.630 10.913 ( -1.934 -6.086 4.177) 7.630 11.146 ( -3.198 4.790 -5.266) 7.804 11.146 ( -3.198 4.790 5.266) 7.804 11.207 ( -3.300 -2.025 -4.691) 6.083 11.207 ( -3.300 -2.025 4.691) 6.083 11.365 ( -4.050 8.564 -3.237) 10.011 11.365 ( -4.050 8.564 3.237) 10.011 11.482 ( -6.531 -2.244 -3.523) 7.752 11.482 ( -6.531 -2.244 3.523) 7.752 12.022 ( 9.515 5.887 -2.929) 11.566 12.022 ( 9.515 5.887 2.929) 11.566 12.178 ( 10.653 -9.211 -2.764) 14.351 12.178 ( 10.653 -9.211 2.764) 14.351 12.451 ( 2.400 8.920 -0.393) 9.245 12.451 ( 2.400 8.919 0.393) 9.245 12.640 ( 3.826 -10.076 -1.962) 10.955 12.640 ( 3.826 -10.076 1.962) 10.955 12.972 ( 11.923 6.818 -5.632) 14.845 12.972 ( 11.923 6.818 5.632) 14.845 13.097 ( 11.130 -6.180 -6.811) 14.439 13.097 ( 11.130 -6.180 6.811) 14.439 13.550 ( -2.373 7.598 -3.500) 8.696 13.550 ( -2.373 7.598 3.500) 8.696 13.691 ( -0.187 -6.847 -3.645) 7.759 13.691 ( -0.187 -6.847 3.645) 7.759 14.234 ( 1.532 7.110 -3.972) 8.287 14.234 ( 1.532 7.110 3.972) 8.287 14.367 ( 3.984 -6.143 -3.558) 8.141 14.367 ( 3.984 -6.143 3.558) 8.141 14.703 ( -8.998 3.716 -3.084) 10.212 14.703 ( -8.998 3.716 3.084) 10.212 14.789 ( -11.778 -4.404 -8.367) 15.103 14.789 ( -11.778 -4.403 8.367) 15.103 15.438 ( 14.603 6.522 -7.450) 17.643 15.438 ( 14.603 6.522 7.450) 17.643 15.569 ( 11.282 -6.397 -11.933) 17.624 15.569 ( 11.282 -6.397 11.933) 17.624 16.078 ( -0.275 6.165 -7.022) 9.348 16.078 ( -0.275 6.165 7.022) 9.348 16.223 ( -0.793 -9.129 -7.826) 12.050 16.223 ( -0.793 -9.129 7.826) 12.050 16.673 ( 6.496 6.605 -6.420) 11.272 16.673 ( 6.496 6.605 6.420) 11.272 16.796 ( 3.303 -5.960 -5.140) 8.536 16.796 ( 3.303 -5.960 5.140) 8.536 16.983 ( -0.271 9.234 -1.394) 9.342 16.983 ( -0.271 9.234 1.394) 9.342 17.151 ( -0.744 -4.730 -6.014) 7.687 17.151 ( -0.744 -4.730 6.014) 7.687 17.433 ( -4.342 4.919 -7.933) 10.294 17.433 ( -4.342 4.919 7.933) 10.294 17.581 ( -0.566 -8.013 -5.058) 9.492 17.581 ( -0.566 -8.013 5.058) 9.492 17.912 ( -7.627 3.068 -11.015) 13.744 17.912 ( -7.627 3.068 11.015) 13.744 17.955 ( -10.731 -1.412 -7.085) 12.937 17.955 ( -10.731 -1.412 7.085) 12.937 20.221 ( 23.678 3.203 -3.962) 24.220 20.221 ( 23.678 3.203 3.962) 24.220 20.294 ( 23.557 -4.057 -4.811) 24.383 20.294 ( 23.557 -4.057 4.811) 24.383 20.928 ( 18.466 4.535 -7.790) 20.549 20.928 ( 18.466 4.535 7.790) 20.549 21.019 ( 18.587 -4.481 -10.401) 21.766 21.019 ( 18.587 -4.481 10.401) 21.766 22.515 ( -36.001 -0.031 -6.587) 36.599 22.515 ( -36.001 -0.031 6.587) 36.599 22.516 ( -35.644 -0.160 -9.437) 36.872 22.516 ( -35.644 -0.160 9.437) 36.872 22.835 ( -31.275 3.956 -3.005) 31.667 22.835 ( -31.275 3.956 3.005) 31.667 22.922 ( -32.213 -4.653 -4.065) 32.800 22.922 ( -32.213 -4.653 4.065) 32.800 24.471 ( -0.411 10.657 -0.909) 10.704 24.471 ( -0.411 10.657 0.909) 10.704 24.594 ( -3.682 17.127 -1.519) 17.584 24.594 ( -3.682 17.127 1.519) 17.584 24.690 ( 0.691 -7.156 -0.801) 7.233 24.690 ( 0.691 -7.156 0.801) 7.233 25.062 ( -9.979 -24.608 -3.476) 26.781 25.062 ( -9.979 -24.609 3.476) 26.781 25.565 ( 9.939 6.105 -0.510) 11.675 25.565 ( 9.939 6.105 0.510) 11.675 25.684 ( 10.068 -6.342 -1.608) 12.007 25.684 ( 10.068 -6.342 1.608) 12.007 26.274 ( -11.360 14.649 -11.815) 21.983 26.274 ( -11.360 14.649 11.815) 21.983 26.490 ( -13.230 -8.041 -14.205) 21.011 26.490 ( -13.230 -8.041 14.205) 21.011 27.334 ( -2.133 0.333 -3.184) 3.847 27.334 ( -2.133 0.333 3.184) 3.847 27.341 ( -2.195 -0.378 -2.170) 3.110 27.341 ( -2.195 -0.378 2.170) 3.110 27.546 ( -9.593 0.474 -1.793) 9.771 27.546 ( -9.593 0.474 1.793) 9.771 27.557 ( -9.822 -0.572 -3.182) 10.341 27.557 ( -9.822 -0.572 3.182) 10.341 29.426 ( 1.577 3.057 -4.107) 5.357 29.426 ( 1.577 3.057 4.107) 5.357 29.494 ( 0.631 -3.610 -5.763) 6.830 29.494 ( 0.631 -3.610 5.763) 6.830 30.572 ( -27.626 4.171 -13.779) 31.152 30.572 ( -27.626 4.171 13.779) 31.152 30.651 ( -27.627 -3.659 -21.737) 35.343 30.651 ( -27.627 -3.659 21.737) 35.343 33.004 ( 17.509 3.517 -5.985) 18.835 33.004 ( 17.509 3.517 5.985) 18.835 33.083 ( 17.271 -4.205 -7.318) 19.223 33.083 ( 17.271 -4.205 7.318) 19.223 33.349 ( 8.455 2.154 -2.206) 9.000 33.349 ( 8.455 2.154 2.206) 9.000 33.405 ( 7.607 -3.742 -3.383) 9.128 33.405 ( 7.607 -3.742 3.383) 9.128 33.778 ( 14.814 6.744 -8.571) 18.395 33.778 ( 14.814 6.744 8.571) 18.395 33.879 ( 13.447 -3.825 -8.990) 16.621 33.879 ( 13.447 -3.825 8.990) 16.621 34.097 ( 5.762 4.345 -7.923) 10.717 34.097 ( 5.762 4.345 7.923) 10.717 34.193 ( 2.844 -5.009 -13.080) 14.292 34.193 ( 2.844 -5.009 13.080) 14.292 ======================= Grid point 107 (40/40) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 8.649 4.114 -3.370) 10.153 3.116 ( 8.649 4.114 3.370) 10.153 3.204 ( 3.006 -4.670 -3.511) 6.570 3.204 ( 3.006 -4.670 3.511) 6.570 3.562 ( 0.836 7.529 -1.675) 7.758 3.562 ( 0.836 7.529 1.676) 7.758 3.689 ( -7.404 -3.117 -3.505) 8.765 3.689 ( -7.404 -3.117 3.505) 8.765 3.871 ( 4.688 -1.568 -4.611) 6.760 3.871 ( 4.688 -1.568 4.611) 6.760 3.958 ( -2.727 -8.141 -4.259) 9.584 3.958 ( -2.727 -8.141 4.259) 9.584 4.404 ( 6.673 8.218 -5.304) 11.840 4.404 ( 6.673 8.218 5.304) 11.840 4.495 ( -0.163 0.121 -3.771) 3.776 4.495 ( -0.163 0.120 3.771) 3.776 4.832 ( 6.683 4.246 -4.731) 9.224 4.832 ( 6.683 4.246 4.732) 9.224 4.897 ( 4.687 -0.969 -4.859) 6.820 4.897 ( 4.687 -0.969 4.859) 6.820 5.159 ( 10.938 -0.973 -9.866) 14.762 5.159 ( 10.938 -0.973 9.866) 14.762 5.197 ( 7.182 -4.422 -6.373) 10.571 5.197 ( 7.182 -4.422 6.373) 10.571 5.395 ( 2.102 7.004 -6.487) 9.775 5.395 ( 2.102 7.004 6.487) 9.775 5.578 ( 3.976 -10.289 -6.794) 12.955 5.578 ( 3.976 -10.289 6.794) 12.955 5.719 ( -18.494 5.795 -7.869) 20.917 5.719 ( -18.494 5.795 7.869) 20.917 5.858 ( -17.154 -8.460 -7.735) 20.631 5.858 ( -17.154 -8.460 7.735) 20.631 6.472 ( 17.879 2.819 -9.720) 20.545 6.472 ( 17.879 2.819 9.720) 20.545 6.518 ( 16.958 -1.188 -7.069) 18.410 6.518 ( 16.958 -1.188 7.069) 18.411 6.779 ( 2.889 4.655 -4.705) 7.221 6.779 ( 2.889 4.655 4.705) 7.221 6.842 ( 1.239 0.325 -2.865) 3.138 6.842 ( 1.239 0.325 2.865) 3.138 6.996 ( 1.339 1.269 -3.597) 4.043 6.996 ( 1.339 1.269 3.597) 4.043 7.039 ( 0.319 -0.697 -3.976) 4.050 7.039 ( 0.319 -0.697 3.976) 4.050 7.159 ( 2.157 3.852 -4.824) 6.540 7.159 ( 2.158 3.852 4.825) 6.540 7.241 ( -1.176 -3.337 -4.703) 5.885 7.241 ( -1.176 -3.337 4.703) 5.885 7.456 ( 3.410 4.356 -6.074) 8.216 7.456 ( 3.410 4.356 6.074) 8.216 7.564 ( 0.665 -5.335 -4.125) 6.776 7.564 ( 0.665 -5.335 4.125) 6.776 7.660 ( -3.588 1.222 -6.395) 7.434 7.660 ( -3.589 1.222 6.395) 7.434 7.725 ( -3.180 -4.282 -4.744) 7.138 7.725 ( -3.180 -4.282 4.745) 7.139 8.114 ( 19.197 2.623 -4.461) 19.883 8.114 ( 19.197 2.623 4.462) 19.883 8.156 ( 18.837 -0.869 -2.035) 18.967 8.156 ( 18.837 -0.869 2.035) 18.967 8.330 ( -4.833 2.723 -7.122) 9.027 8.330 ( -4.833 2.723 7.122) 9.027 8.421 ( -2.066 -4.749 -5.960) 7.896 8.421 ( -2.066 -4.749 5.960) 7.896 8.618 ( 9.340 0.834 -4.111) 10.239 8.618 ( 9.340 0.834 4.111) 10.239 8.639 ( 10.612 -1.249 -2.862) 11.062 8.639 ( 10.612 -1.249 2.862) 11.062 8.767 ( -0.519 3.882 -1.684) 4.263 8.767 ( -0.519 3.882 1.684) 4.263 8.848 ( 0.322 -4.505 -1.543) 4.772 8.848 ( 0.322 -4.505 1.543) 4.772 9.004 ( -1.037 6.200 -3.438) 7.165 9.004 ( -1.037 6.200 3.438) 7.165 9.099 ( 0.242 -1.193 -3.570) 3.772 9.099 ( 0.242 -1.193 3.570) 3.772 9.230 ( -8.996 -0.222 -2.389) 9.310 9.230 ( -8.996 -0.222 2.389) 9.310 9.270 ( -8.559 -4.095 -1.773) 9.653 9.270 ( -8.559 -4.095 1.773) 9.653 9.546 ( 3.971 6.369 -2.215) 7.825 9.546 ( 3.971 6.369 2.215) 7.825 9.666 ( 3.460 -1.294 -0.847) 3.790 9.666 ( 3.460 -1.294 0.847) 3.790 9.831 ( -8.679 5.910 -3.524) 11.076 9.831 ( -8.679 5.910 3.524) 11.076 9.997 ( -14.288 -7.323 -4.565) 16.692 9.997 ( -14.288 -7.323 4.565) 16.692 10.583 ( 1.187 3.230 -5.130) 6.177 10.583 ( 1.187 3.230 5.130) 6.177 10.641 ( -3.309 -0.139 -4.844) 5.868 10.641 ( -3.309 -0.139 4.844) 5.868 10.784 ( -0.342 -4.865 -2.370) 5.423 10.784 ( -0.342 -4.865 2.370) 5.423 10.838 ( -4.430 -7.972 -4.143) 10.018 10.838 ( -4.430 -7.972 4.143) 10.018 11.134 ( 1.748 5.213 -5.581) 7.835 11.134 ( 1.748 5.213 5.581) 7.835 11.169 ( -0.736 1.696 -3.577) 4.026 11.169 ( -0.736 1.696 3.577) 4.027 11.299 ( -1.698 2.900 -2.231) 4.034 11.299 ( -1.698 2.900 2.231) 4.034 11.342 ( -5.559 -0.250 -1.409) 5.741 11.342 ( -5.559 -0.250 1.409) 5.741 12.250 ( 10.638 7.363 -1.400) 13.013 12.250 ( 10.638 7.363 1.400) 13.013 12.389 ( 2.644 1.357 -2.092) 3.635 12.389 ( 2.644 1.357 2.092) 3.635 12.464 ( 4.158 -3.100 -1.195) 5.322 12.464 ( 4.157 -3.100 1.195) 5.322 12.619 ( -5.241 -10.843 -0.693) 12.063 12.619 ( -5.241 -10.843 0.693) 12.063 13.210 ( 8.981 6.420 -4.618) 11.966 13.210 ( 8.981 6.420 4.618) 11.966 13.286 ( 3.458 -0.128 -2.030) 4.011 13.286 ( 3.458 -0.128 2.030) 4.011 13.546 ( 3.085 3.106 -2.514) 5.048 13.546 ( 3.085 3.106 2.514) 5.048 13.646 ( -4.282 -6.139 -2.905) 8.028 13.646 ( -4.282 -6.139 2.905) 8.028 14.293 ( 4.951 6.813 -7.650) 11.378 14.293 ( 4.951 6.813 7.650) 11.378 14.398 ( -1.141 -1.017 -6.826) 6.995 14.398 ( -1.141 -1.017 6.826) 6.995 14.510 ( -6.186 -2.429 -4.397) 7.969 14.510 ( -6.186 -2.429 4.397) 7.969 14.564 ( -8.437 -4.978 -7.320) 12.230 14.564 ( -8.438 -4.978 7.320) 12.230 15.677 ( 6.622 5.846 -5.066) 10.183 15.677 ( 6.622 5.846 5.066) 10.183 15.712 ( 2.864 2.887 -1.967) 4.517 15.712 ( 2.864 2.887 1.967) 4.517 16.040 ( -0.268 -0.336 -2.510) 2.546 16.040 ( -0.268 -0.336 2.510) 2.546 16.124 ( -6.804 -8.672 -4.415) 11.874 16.124 ( -6.804 -8.672 4.415) 11.874 16.796 ( 5.886 8.135 -3.094) 10.507 16.796 ( 5.886 8.135 3.094) 10.507 16.882 ( 0.130 4.778 -2.632) 5.457 16.882 ( 0.130 4.778 2.632) 5.457 17.024 ( 5.575 -4.747 -6.687) 9.916 17.024 ( 5.575 -4.747 6.687) 9.916 17.133 ( -2.307 -9.341 -9.197) 13.310 17.133 ( -2.307 -9.341 9.197) 13.310 17.414 ( 1.642 6.366 -6.416) 9.186 17.414 ( 1.642 6.366 6.416) 9.186 17.499 ( -6.209 -2.427 -1.483) 6.830 17.499 ( -6.209 -2.427 1.483) 6.830 17.807 ( -1.743 0.609 -1.204) 2.204 17.807 ( -1.743 0.609 1.204) 2.204 17.818 ( -2.773 -0.426 -2.505) 3.761 17.818 ( -2.773 -0.426 2.505) 3.761 20.869 ( 36.253 2.420 -10.229) 37.747 20.869 ( 36.253 2.420 10.229) 37.747 20.922 ( 34.869 -2.914 -9.283) 36.202 20.922 ( 34.869 -2.914 9.283) 36.202 21.422 ( 23.602 4.216 -7.118) 25.010 21.422 ( 23.602 4.216 7.119) 25.010 21.512 ( 24.372 -4.720 -9.869) 26.715 21.512 ( 24.372 -4.720 9.869) 26.715 21.723 ( -34.169 1.341 -8.366) 35.204 21.723 ( -34.169 1.341 8.366) 35.204 21.746 ( -33.500 -0.981 -9.615) 34.866 21.746 ( -33.500 -0.981 9.616) 34.866 22.142 ( -33.612 3.127 -5.326) 34.175 22.142 ( -33.612 3.127 5.326) 34.175 22.212 ( -34.253 -3.779 -7.476) 35.262 22.212 ( -34.253 -3.779 7.476) 35.262 24.474 ( 1.005 12.148 -1.341) 12.263 24.474 ( 1.005 12.148 1.341) 12.263 24.518 ( -3.100 14.839 -1.707) 15.255 24.518 ( -3.100 14.839 1.707) 15.255 24.738 ( 4.098 -13.095 -0.632) 13.736 24.738 ( 4.098 -13.095 0.632) 13.736 24.866 ( -8.054 -18.527 -1.371) 20.248 24.866 ( -8.054 -18.527 1.371) 20.248 25.784 ( 10.767 7.913 -2.060) 13.520 25.784 ( 10.767 7.913 2.060) 13.520 25.910 ( 9.169 -3.936 -2.301) 10.240 25.910 ( 9.168 -3.936 2.301) 10.240 26.047 ( -8.182 8.931 -5.184) 13.175 26.047 ( -8.182 8.931 5.184) 13.175 26.210 ( -13.191 -6.819 -7.607) 16.684 26.210 ( -13.191 -6.819 7.607) 16.684 27.302 ( -0.602 0.320 -1.697) 1.829 27.302 ( -0.602 0.320 1.697) 1.829 27.306 ( -0.884 -0.065 -0.053) 0.888 27.306 ( -0.884 -0.065 0.053) 0.888 27.398 ( -3.916 0.098 -1.256) 4.114 27.398 ( -3.916 0.098 1.256) 4.114 27.403 ( -4.303 -0.428 -2.216) 4.859 27.403 ( -4.303 -0.428 2.216) 4.859 29.538 ( 7.797 2.089 -3.291) 8.717 29.538 ( 7.797 2.089 3.291) 8.717 29.583 ( 5.484 -2.369 -8.045) 10.020 29.583 ( 5.484 -2.369 8.045) 10.020 30.095 ( -14.762 2.905 -7.257) 16.704 30.095 ( -14.762 2.905 7.257) 16.704 30.151 ( -17.922 -2.603 -13.695) 22.705 30.151 ( -17.922 -2.603 13.695) 22.705 33.300 ( 10.088 2.997 -5.801) 12.016 33.300 ( 10.088 2.997 5.801) 12.016 33.361 ( 8.194 -2.660 -5.815) 10.393 33.361 ( 8.194 -2.660 5.815) 10.393 33.432 ( 0.167 1.438 -3.804) 4.070 33.432 ( 0.167 1.438 3.804) 4.070 33.478 ( -0.488 -2.779 -5.398) 6.091 33.478 ( -0.488 -2.779 5.398) 6.091 34.025 ( 7.842 3.495 -6.260) 10.625 34.025 ( 7.842 3.495 6.260) 10.625 34.076 ( 3.871 -1.266 -3.520) 5.383 34.076 ( 3.871 -1.266 3.520) 5.383 34.190 ( 3.295 1.257 -2.497) 4.321 34.190 ( 3.295 1.257 2.497) 4.321 34.231 ( 0.072 -2.463 -9.797) 10.102 34.231 ( 0.072 -2.463 9.797) 10.102 =================== 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 3/34992 10.0 1068.780 1175.438 1388.556 0.000 0.000 0.000 3/34992 20.0 304.479 289.569 352.878 0.000 0.000 -0.000 3/34992 30.0 175.032 101.278 145.325 0.000 0.000 -0.000 3/34992 40.0 115.007 51.834 78.781 0.000 0.000 -0.000 3/34992 50.0 81.289 32.039 49.770 0.000 0.000 -0.000 3/34992 60.0 61.221 22.201 34.783 0.000 0.000 -0.000 3/34992 70.0 48.474 16.609 26.098 0.000 0.000 -0.000 3/34992 80.0 39.853 13.111 20.611 0.000 0.000 -0.000 3/34992 90.0 33.704 10.764 16.908 0.000 0.000 -0.000 3/34992 100.0 29.129 9.101 14.274 0.000 0.000 -0.000 3/34992 110.0 25.610 7.872 12.323 0.000 0.000 -0.000 3/34992 120.0 22.831 6.933 10.828 0.000 0.000 -0.000 3/34992 130.0 20.589 6.194 9.652 0.000 0.000 -0.000 3/34992 140.0 18.748 5.601 8.705 0.000 0.000 -0.000 3/34992 150.0 17.213 5.115 7.929 0.000 0.000 -0.000 3/34992 160.0 15.917 4.710 7.282 0.000 0.000 -0.000 3/34992 170.0 14.811 4.368 6.735 0.000 0.000 -0.000 3/34992 180.0 13.858 4.076 6.268 0.000 0.000 -0.000 3/34992 190.0 13.029 3.824 5.864 0.000 0.000 -0.000 3/34992 200.0 12.302 3.604 5.512 0.000 0.000 -0.000 3/34992 210.0 11.660 3.410 5.202 0.000 0.000 -0.000 3/34992 220.0 11.089 3.239 4.928 0.000 0.000 -0.000 3/34992 230.0 10.578 3.086 4.683 0.000 0.000 -0.000 3/34992 240.0 10.118 2.949 4.464 0.000 0.000 -0.000 3/34992 250.0 9.702 2.825 4.266 0.000 0.000 -0.000 3/34992 260.0 9.323 2.713 4.086 0.000 0.000 -0.000 3/34992 270.0 8.977 2.610 3.922 0.000 0.000 -0.000 3/34992 280.0 8.660 2.516 3.772 0.000 0.000 -0.000 3/34992 290.0 8.367 2.430 3.635 0.000 0.000 -0.000 3/34992 300.0 8.096 2.350 3.508 0.000 0.000 -0.000 3/34992 310.0 7.845 2.276 3.390 0.000 0.000 -0.000 3/34992 320.0 7.610 2.208 3.281 0.000 0.000 -0.000 3/34992 330.0 7.392 2.143 3.179 0.000 0.000 -0.000 3/34992 340.0 7.187 2.083 3.084 0.000 0.000 -0.000 3/34992 350.0 6.994 2.027 2.995 0.000 0.000 -0.000 3/34992 360.0 6.813 1.974 2.912 0.000 0.000 -0.000 3/34992 370.0 6.641 1.924 2.833 0.000 0.000 -0.000 3/34992 380.0 6.479 1.877 2.759 0.000 0.000 -0.000 3/34992 390.0 6.326 1.832 2.689 0.000 0.000 -0.000 3/34992 400.0 6.180 1.790 2.623 0.000 0.000 -0.000 3/34992 410.0 6.042 1.750 2.560 0.000 0.000 -0.000 3/34992 420.0 5.910 1.711 2.501 0.000 0.000 -0.000 3/34992 430.0 5.784 1.675 2.444 0.000 0.000 -0.000 3/34992 440.0 5.663 1.640 2.390 0.000 0.000 -0.000 3/34992 450.0 5.548 1.606 2.338 0.000 0.000 -0.000 3/34992 460.0 5.438 1.574 2.289 0.000 0.000 -0.000 3/34992 470.0 5.332 1.544 2.242 0.000 0.000 -0.000 3/34992 480.0 5.230 1.514 2.197 0.000 0.000 -0.000 3/34992 490.0 5.133 1.486 2.153 0.000 0.000 -0.000 3/34992 500.0 5.039 1.459 2.112 0.000 0.000 -0.000 3/34992 510.0 4.949 1.433 2.072 0.000 0.000 -0.000 3/34992 520.0 4.862 1.408 2.033 0.000 0.000 -0.000 3/34992 530.0 4.778 1.383 1.997 0.000 0.000 -0.000 3/34992 540.0 4.696 1.360 1.961 0.000 0.000 -0.000 3/34992 550.0 4.618 1.337 1.927 0.000 0.000 -0.000 3/34992 560.0 4.542 1.315 1.894 0.000 0.000 -0.000 3/34992 570.0 4.469 1.294 1.862 0.000 0.000 -0.000 3/34992 580.0 4.398 1.274 1.831 0.000 0.000 -0.000 3/34992 590.0 4.330 1.254 1.801 0.000 0.000 -0.000 3/34992 600.0 4.263 1.235 1.772 0.000 0.000 -0.000 3/34992 610.0 4.199 1.216 1.744 0.000 0.000 -0.000 3/34992 620.0 4.136 1.198 1.717 0.000 0.000 -0.000 3/34992 630.0 4.076 1.181 1.691 0.000 0.000 -0.000 3/34992 640.0 4.017 1.164 1.666 0.000 0.000 -0.000 3/34992 650.0 3.959 1.147 1.641 0.000 0.000 -0.000 3/34992 660.0 3.904 1.131 1.617 0.000 0.000 -0.000 3/34992 670.0 3.850 1.115 1.594 0.000 0.000 -0.000 3/34992 680.0 3.797 1.100 1.572 0.000 0.000 -0.000 3/34992 690.0 3.746 1.085 1.550 0.000 0.000 -0.000 3/34992 700.0 3.696 1.071 1.528 0.000 0.000 -0.000 3/34992 710.0 3.647 1.057 1.508 0.000 0.000 -0.000 3/34992 720.0 3.600 1.043 1.487 0.000 0.000 -0.000 3/34992 730.0 3.554 1.030 1.468 0.000 0.000 -0.000 3/34992 740.0 3.509 1.017 1.449 0.000 0.000 -0.000 3/34992 750.0 3.465 1.004 1.430 0.000 0.000 -0.000 3/34992 760.0 3.423 0.992 1.412 0.000 0.000 -0.000 3/34992 770.0 3.381 0.980 1.394 0.000 0.000 -0.000 3/34992 780.0 3.340 0.968 1.377 0.000 0.000 -0.000 3/34992 790.0 3.300 0.957 1.360 0.000 0.000 -0.000 3/34992 800.0 3.262 0.946 1.344 0.000 0.000 -0.000 3/34992 810.0 3.224 0.935 1.328 0.000 0.000 -0.000 3/34992 820.0 3.187 0.924 1.312 0.000 0.000 -0.000 3/34992 830.0 3.150 0.913 1.297 0.000 0.000 -0.000 3/34992 840.0 3.115 0.903 1.282 0.000 0.000 -0.000 3/34992 850.0 3.080 0.893 1.267 0.000 0.000 -0.000 3/34992 860.0 3.046 0.883 1.253 0.000 0.000 -0.000 3/34992 870.0 3.013 0.874 1.239 0.000 0.000 -0.000 3/34992 880.0 2.981 0.864 1.225 0.000 0.000 -0.000 3/34992 890.0 2.949 0.855 1.212 0.000 0.000 -0.000 3/34992 900.0 2.918 0.846 1.199 0.000 0.000 -0.000 3/34992 910.0 2.887 0.837 1.186 0.000 0.000 -0.000 3/34992 920.0 2.857 0.829 1.174 0.000 0.000 -0.000 3/34992 930.0 2.828 0.820 1.161 0.000 0.000 -0.000 3/34992 940.0 2.800 0.812 1.149 0.000 0.000 -0.000 3/34992 950.0 2.771 0.804 1.138 0.000 0.000 -0.000 3/34992 960.0 2.744 0.796 1.126 0.000 0.000 -0.000 3/34992 970.0 2.717 0.788 1.115 0.000 0.000 -0.000 3/34992 980.0 2.690 0.780 1.104 0.000 0.000 -0.000 3/34992 990.0 2.664 0.773 1.093 0.000 0.000 -0.000 3/34992 1000.0 2.639 0.766 1.082 0.000 0.000 -0.000 3/34992 Thermal conductivity related properties were written into "kappa-m936.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:22:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|