----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:51:34]------------------------- 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: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 16.758010689999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.117424279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.657414349999998 Atomic positions (fractional): *1 Ca 0.39370009448028 0.28548335420118 0.07863101896449 40.078 2 Ca 0.89370009448028 0.71451664579882 0.07863101896449 40.078 *3 Ca 0.61039821094282 0.71329616708396 0.93014905936059 40.078 *4 Ca 0.79103087135478 0.73236108601224 0.73908744343999 40.078 5 Ca 0.11039821094282 0.28670383291604 0.93014905936059 40.078 6 Ca 0.10629990551972 0.28548335420118 0.57863101896449 40.078 7 Ca 0.38960178905718 0.28670383291604 0.43014905936059 40.078 8 Ca 0.70896912864522 0.73236108601224 0.23908744343999 40.078 9 Ca 0.60629990551972 0.71451664579882 0.57863101896449 40.078 10 Ca 0.29103087135478 0.26763891398776 0.73908744343999 40.078 11 Ca 0.20896912864522 0.26763891398776 0.23908744343999 40.078 12 Ca 0.88960178905718 0.71329616708396 0.43014905936059 40.078 *13 Al 0.25195824035432 0.79204176436563 0.99888991002425 26.982 *14 Al 0.46952340005506 0.36114514115237 0.75293731499989 26.982 15 Al 0.24804175964568 0.79204176436563 0.49888991002425 26.982 16 Al 0.53047659994494 0.63885485884763 0.25293731499989 26.982 *17 Al 0.83567267197064 0.26800499452212 0.24971757851234 26.982 18 Al 0.03047659994494 0.36114514115237 0.25293731499989 26.982 19 Al 0.75195824035432 0.20795823563437 0.99888991002425 26.982 20 Al 0.66432732802936 0.26800499452212 0.74971757851234 26.982 21 Al 0.74804175964568 0.20795823563437 0.49888991002425 26.982 *22 Al 0.92468373476575 0.13841819109779 0.89962923391790 26.982 23 Al 0.42468373476575 0.86158180890221 0.89962923391790 26.982 24 Al 0.16432732802936 0.73199500547788 0.74971757851234 26.982 25 Al 0.07531626523425 0.86158180890221 0.39962923391790 26.982 26 Al 0.96952340005506 0.63885485884763 0.75293731499989 26.982 27 Al 0.57531626523425 0.13841819109779 0.39962923391790 26.982 28 Al 0.33567267197064 0.73199500547788 0.24971757851234 26.982 *29 Zn 0.07979302835958 0.84671692860310 0.09995021846098 65.380 30 Zn 0.42020697164042 0.84671692860310 0.59995021846098 65.380 31 Zn 0.92020697164042 0.15328307139690 0.59995021846098 65.380 32 Zn 0.57979302835958 0.15328307139690 0.09995021846098 65.380 *33 O 0.92715259015303 0.48138589511761 0.88766784182427 15.999 *34 O 0.78824416597617 0.41890548407066 0.11853219960355 15.999 *35 O 0.28581399547531 0.58520174246050 0.37909661107126 15.999 *36 O 0.49561695946001 0.98846066374454 0.00301680264847 15.999 37 O 0.50438304053999 0.01153933625546 0.50301680264847 15.999 38 O 0.71418600452469 0.41479825753950 0.87909661107126 15.999 *39 O 0.33018134094776 0.99041783434454 0.93993926485419 15.999 40 O 0.42715259015303 0.51861410488239 0.88766784182427 15.999 41 O 0.21175583402383 0.58109451592934 0.61853219960355 15.999 42 O 0.16981865905224 0.99041783434454 0.43993926485419 15.999 43 O 0.07284740984697 0.51861410488239 0.38766784182427 15.999 *44 O 0.58741929270423 0.52046089800537 0.12526063796752 15.999 45 O 0.66981865905224 0.00958216565547 0.43993926485419 15.999 *46 O 0.07121290975576 0.56461484906871 0.74998695262367 15.999 *47 O 0.31888575075814 0.01294335706225 0.55835314768929 15.999 48 O 0.68111424924186 0.98705664293775 0.05835314768929 15.999 49 O 0.41258070729577 0.47953910199463 0.62526063796752 15.999 *50 O 0.33385860961078 0.07089656165273 0.24964997638640 15.999 51 O 0.91258070729577 0.52046089800537 0.62526063796752 15.999 52 O 0.08741929270423 0.47953910199463 0.12526063796752 15.999 *53 O 0.94377153842795 0.97260265496864 0.75850473765095 15.999 54 O 0.92878709024424 0.43538515093129 0.24998695262367 15.999 55 O 0.81888575075814 0.98705664293775 0.55835314768929 15.999 56 O 0.00438304053999 0.98846066374454 0.50301680264847 15.999 57 O 0.57121290975576 0.43538515093129 0.74998695262367 15.999 58 O 0.83018134094776 0.00958216565547 0.93993926485419 15.999 59 O 0.55622846157205 0.97260265496864 0.25850473765095 15.999 60 O 0.57284740984697 0.48138589511761 0.38766784182427 15.999 61 O 0.42878709024424 0.56461484906871 0.24998695262367 15.999 62 O 0.78581399547531 0.41479825753950 0.37909661107126 15.999 63 O 0.66614139038923 0.92910343834727 0.74964997638640 15.999 64 O 0.05622846157205 0.02739734503136 0.25850473765095 15.999 65 O 0.83385860961077 0.92910343834727 0.24964997638640 15.999 66 O 0.21418600452469 0.58520174246050 0.87909661107126 15.999 67 O 0.71175583402383 0.41890548407066 0.61853219960355 15.999 68 O 0.18111424924186 0.01294335706225 0.05835314768929 15.999 69 O 0.44377153842795 0.02739734503136 0.75850473765095 15.999 70 O 0.99561695946001 0.01153933625546 0.00301680264847 15.999 71 O 0.28824416597617 0.58109451592934 0.11853219960355 15.999 72 O 0.16614139038923 0.07089656165273 0.74964997638640 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.758010689999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.117424279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.657414349999998 Atomic positions (fractional): *1 Ca 0.39370009448028 0.28548335420118 0.07863101896449 40.078 > 1 2 Ca 0.89370009448028 0.71451664579882 0.07863101896449 40.078 > 2 *3 Ca 0.61039821094282 0.71329616708396 0.93014905936059 40.078 > 3 *4 Ca 0.79103087135478 0.73236108601224 0.73908744343999 40.078 > 4 5 Ca 0.11039821094282 0.28670383291604 0.93014905936059 40.078 > 5 6 Ca 0.10629990551972 0.28548335420118 0.57863101896449 40.078 > 6 7 Ca 0.38960178905718 0.28670383291604 0.43014905936059 40.078 > 7 8 Ca 0.70896912864522 0.73236108601224 0.23908744343999 40.078 > 8 9 Ca 0.60629990551972 0.71451664579882 0.57863101896449 40.078 > 9 10 Ca 0.29103087135478 0.26763891398776 0.73908744343999 40.078 > 10 11 Ca 0.20896912864522 0.26763891398776 0.23908744343999 40.078 > 11 12 Ca 0.88960178905718 0.71329616708396 0.43014905936059 40.078 > 12 *13 Al 0.25195824035432 0.79204176436563 0.99888991002425 26.982 > 13 *14 Al 0.46952340005506 0.36114514115237 0.75293731499989 26.982 > 14 15 Al 0.24804175964568 0.79204176436563 0.49888991002425 26.982 > 15 16 Al 0.53047659994494 0.63885485884763 0.25293731499989 26.982 > 16 *17 Al 0.83567267197064 0.26800499452212 0.24971757851234 26.982 > 17 18 Al 0.03047659994494 0.36114514115237 0.25293731499989 26.982 > 18 19 Al 0.75195824035432 0.20795823563437 0.99888991002425 26.982 > 19 20 Al 0.66432732802936 0.26800499452212 0.74971757851234 26.982 > 20 21 Al 0.74804175964568 0.20795823563437 0.49888991002425 26.982 > 21 *22 Al 0.92468373476575 0.13841819109779 0.89962923391790 26.982 > 22 23 Al 0.42468373476575 0.86158180890221 0.89962923391790 26.982 > 23 24 Al 0.16432732802936 0.73199500547788 0.74971757851234 26.982 > 24 25 Al 0.07531626523425 0.86158180890221 0.39962923391790 26.982 > 25 26 Al 0.96952340005506 0.63885485884763 0.75293731499989 26.982 > 26 27 Al 0.57531626523425 0.13841819109779 0.39962923391790 26.982 > 27 28 Al 0.33567267197064 0.73199500547788 0.24971757851234 26.982 > 28 *29 Zn 0.07979302835958 0.84671692860310 0.09995021846098 65.380 > 29 30 Zn 0.42020697164042 0.84671692860310 0.59995021846098 65.380 > 30 31 Zn 0.92020697164042 0.15328307139690 0.59995021846098 65.380 > 31 32 Zn 0.57979302835958 0.15328307139690 0.09995021846098 65.380 > 32 *33 O 0.92715259015303 0.48138589511761 0.88766784182427 15.999 > 33 *34 O 0.78824416597617 0.41890548407066 0.11853219960355 15.999 > 34 *35 O 0.28581399547531 0.58520174246050 0.37909661107126 15.999 > 35 *36 O 0.49561695946001 0.98846066374454 0.00301680264847 15.999 > 36 37 O 0.50438304053999 0.01153933625546 0.50301680264847 15.999 > 37 38 O 0.71418600452469 0.41479825753950 0.87909661107126 15.999 > 38 *39 O 0.33018134094776 0.99041783434454 0.93993926485419 15.999 > 39 40 O 0.42715259015303 0.51861410488239 0.88766784182427 15.999 > 40 41 O 0.21175583402383 0.58109451592934 0.61853219960355 15.999 > 41 42 O 0.16981865905224 0.99041783434454 0.43993926485419 15.999 > 42 43 O 0.07284740984697 0.51861410488239 0.38766784182427 15.999 > 43 *44 O 0.58741929270423 0.52046089800537 0.12526063796752 15.999 > 44 45 O 0.66981865905224 0.00958216565547 0.43993926485419 15.999 > 45 *46 O 0.07121290975576 0.56461484906871 0.74998695262367 15.999 > 46 *47 O 0.31888575075814 0.01294335706225 0.55835314768929 15.999 > 47 48 O 0.68111424924186 0.98705664293775 0.05835314768929 15.999 > 48 49 O 0.41258070729577 0.47953910199463 0.62526063796752 15.999 > 49 *50 O 0.33385860961078 0.07089656165273 0.24964997638640 15.999 > 50 51 O 0.91258070729577 0.52046089800537 0.62526063796752 15.999 > 51 52 O 0.08741929270423 0.47953910199463 0.12526063796752 15.999 > 52 *53 O 0.94377153842795 0.97260265496864 0.75850473765095 15.999 > 53 54 O 0.92878709024424 0.43538515093129 0.24998695262367 15.999 > 54 55 O 0.81888575075814 0.98705664293775 0.55835314768929 15.999 > 55 56 O 0.00438304053999 0.98846066374454 0.50301680264847 15.999 > 56 57 O 0.57121290975576 0.43538515093129 0.74998695262367 15.999 > 57 58 O 0.83018134094776 0.00958216565547 0.93993926485419 15.999 > 58 59 O 0.55622846157205 0.97260265496864 0.25850473765095 15.999 > 59 60 O 0.57284740984697 0.48138589511761 0.38766784182427 15.999 > 60 61 O 0.42878709024424 0.56461484906871 0.24998695262367 15.999 > 61 62 O 0.78581399547531 0.41479825753950 0.37909661107126 15.999 > 62 63 O 0.66614139038923 0.92910343834727 0.74964997638640 15.999 > 63 64 O 0.05622846157205 0.02739734503136 0.25850473765095 15.999 > 64 65 O 0.83385860961077 0.92910343834727 0.24964997638640 15.999 > 65 66 O 0.21418600452469 0.58520174246050 0.87909661107126 15.999 > 66 67 O 0.71175583402383 0.41890548407066 0.61853219960355 15.999 > 67 68 O 0.18111424924186 0.01294335706225 0.05835314768929 15.999 > 68 69 O 0.44377153842795 0.02739734503136 0.75850473765095 15.999 > 69 70 O 0.99561695946001 0.01153933625546 0.00301680264847 15.999 > 70 71 O 0.28824416597617 0.58109451592934 0.11853219960355 15.999 > 71 72 O 0.16614139038923 0.07089656165273 0.74964997638640 15.999 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.758010689999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.234848559999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.657414349999998 Atomic positions (fractional): *1 Ca 0.39370009448028 0.14274167710059 0.07863101896449 40.078 > 1 2 Ca 0.39370009448028 0.64274167710059 0.07863101896449 40.078 > 1 3 Ca 0.89370009448028 0.35725832289941 0.07863101896449 40.078 > 2 4 Ca 0.89370009448028 0.85725832289941 0.07863101896449 40.078 > 2 *5 Ca 0.61039821094282 0.35664808354198 0.93014905936059 40.078 > 3 6 Ca 0.61039821094282 0.85664808354198 0.93014905936059 40.078 > 3 *7 Ca 0.79103087135478 0.36618054300612 0.73908744343999 40.078 > 4 8 Ca 0.79103087135478 0.86618054300612 0.73908744343999 40.078 > 4 9 Ca 0.11039821094282 0.14335191645802 0.93014905936059 40.078 > 5 10 Ca 0.11039821094282 0.64335191645802 0.93014905936059 40.078 > 5 11 Ca 0.10629990551972 0.14274167710059 0.57863101896449 40.078 > 6 12 Ca 0.10629990551972 0.64274167710059 0.57863101896449 40.078 > 6 13 Ca 0.38960178905718 0.14335191645802 0.43014905936059 40.078 > 7 14 Ca 0.38960178905718 0.64335191645802 0.43014905936059 40.078 > 7 15 Ca 0.70896912864522 0.36618054300612 0.23908744343999 40.078 > 8 16 Ca 0.70896912864522 0.86618054300612 0.23908744343999 40.078 > 8 17 Ca 0.60629990551972 0.35725832289941 0.57863101896449 40.078 > 9 18 Ca 0.60629990551972 0.85725832289941 0.57863101896449 40.078 > 9 19 Ca 0.29103087135478 0.13381945699388 0.73908744343999 40.078 > 10 20 Ca 0.29103087135478 0.63381945699388 0.73908744343999 40.078 > 10 21 Ca 0.20896912864522 0.13381945699388 0.23908744343999 40.078 > 11 22 Ca 0.20896912864522 0.63381945699388 0.23908744343999 40.078 > 11 23 Ca 0.88960178905718 0.35664808354198 0.43014905936059 40.078 > 12 24 Ca 0.88960178905718 0.85664808354198 0.43014905936059 40.078 > 12 *25 Al 0.25195824035432 0.39602088218282 0.99888991002425 26.982 > 13 26 Al 0.25195824035432 0.89602088218282 0.99888991002425 26.982 > 13 *27 Al 0.46952340005506 0.18057257057618 0.75293731499989 26.982 > 14 28 Al 0.46952340005506 0.68057257057618 0.75293731499989 26.982 > 14 29 Al 0.24804175964568 0.39602088218282 0.49888991002425 26.982 > 15 30 Al 0.24804175964568 0.89602088218282 0.49888991002425 26.982 > 15 31 Al 0.53047659994494 0.31942742942382 0.25293731499989 26.982 > 16 32 Al 0.53047659994494 0.81942742942382 0.25293731499989 26.982 > 16 *33 Al 0.83567267197064 0.13400249726106 0.24971757851234 26.982 > 17 34 Al 0.83567267197064 0.63400249726106 0.24971757851234 26.982 > 17 35 Al 0.03047659994494 0.18057257057618 0.25293731499989 26.982 > 18 36 Al 0.03047659994494 0.68057257057618 0.25293731499989 26.982 > 18 37 Al 0.75195824035432 0.10397911781718 0.99888991002425 26.982 > 19 38 Al 0.75195824035432 0.60397911781718 0.99888991002425 26.982 > 19 39 Al 0.66432732802936 0.13400249726106 0.74971757851234 26.982 > 20 40 Al 0.66432732802936 0.63400249726106 0.74971757851234 26.982 > 20 41 Al 0.74804175964568 0.10397911781718 0.49888991002425 26.982 > 21 42 Al 0.74804175964568 0.60397911781718 0.49888991002425 26.982 > 21 *43 Al 0.92468373476575 0.06920909554889 0.89962923391790 26.982 > 22 44 Al 0.92468373476575 0.56920909554889 0.89962923391790 26.982 > 22 45 Al 0.42468373476575 0.43079090445111 0.89962923391790 26.982 > 23 46 Al 0.42468373476575 0.93079090445111 0.89962923391790 26.982 > 23 47 Al 0.16432732802936 0.36599750273894 0.74971757851234 26.982 > 24 48 Al 0.16432732802936 0.86599750273894 0.74971757851234 26.982 > 24 49 Al 0.07531626523425 0.43079090445111 0.39962923391790 26.982 > 25 50 Al 0.07531626523425 0.93079090445111 0.39962923391790 26.982 > 25 51 Al 0.96952340005506 0.31942742942382 0.75293731499989 26.982 > 26 52 Al 0.96952340005506 0.81942742942382 0.75293731499989 26.982 > 26 53 Al 0.57531626523425 0.06920909554889 0.39962923391790 26.982 > 27 54 Al 0.57531626523425 0.56920909554889 0.39962923391790 26.982 > 27 55 Al 0.33567267197064 0.36599750273894 0.24971757851234 26.982 > 28 56 Al 0.33567267197064 0.86599750273894 0.24971757851234 26.982 > 28 *57 Zn 0.07979302835958 0.42335846430155 0.09995021846098 65.380 > 29 58 Zn 0.07979302835958 0.92335846430155 0.09995021846098 65.380 > 29 59 Zn 0.42020697164042 0.42335846430155 0.59995021846098 65.380 > 30 60 Zn 0.42020697164042 0.92335846430155 0.59995021846098 65.380 > 30 61 Zn 0.92020697164042 0.07664153569845 0.59995021846098 65.380 > 31 62 Zn 0.92020697164042 0.57664153569845 0.59995021846098 65.380 > 31 63 Zn 0.57979302835958 0.07664153569845 0.09995021846098 65.380 > 32 64 Zn 0.57979302835958 0.57664153569845 0.09995021846098 65.380 > 32 *65 O 0.92715259015303 0.24069294755881 0.88766784182427 15.999 > 33 66 O 0.92715259015303 0.74069294755881 0.88766784182427 15.999 > 33 *67 O 0.78824416597617 0.20945274203533 0.11853219960355 15.999 > 34 68 O 0.78824416597617 0.70945274203533 0.11853219960355 15.999 > 34 *69 O 0.28581399547531 0.29260087123025 0.37909661107126 15.999 > 35 70 O 0.28581399547531 0.79260087123025 0.37909661107126 15.999 > 35 *71 O 0.49561695946001 0.49423033187227 0.00301680264847 15.999 > 36 72 O 0.49561695946001 0.99423033187227 0.00301680264847 15.999 > 36 73 O 0.50438304053999 0.00576966812773 0.50301680264847 15.999 > 37 74 O 0.50438304053999 0.50576966812773 0.50301680264847 15.999 > 37 75 O 0.71418600452469 0.20739912876975 0.87909661107126 15.999 > 38 76 O 0.71418600452469 0.70739912876975 0.87909661107126 15.999 > 38 *77 O 0.33018134094776 0.49520891717227 0.93993926485419 15.999 > 39 78 O 0.33018134094776 0.99520891717227 0.93993926485419 15.999 > 39 79 O 0.42715259015303 0.25930705244119 0.88766784182427 15.999 > 40 80 O 0.42715259015303 0.75930705244119 0.88766784182427 15.999 > 40 81 O 0.21175583402383 0.29054725796467 0.61853219960355 15.999 > 41 82 O 0.21175583402383 0.79054725796467 0.61853219960355 15.999 > 41 83 O 0.16981865905224 0.49520891717227 0.43993926485419 15.999 > 42 84 O 0.16981865905224 0.99520891717227 0.43993926485419 15.999 > 42 85 O 0.07284740984697 0.25930705244119 0.38766784182427 15.999 > 43 86 O 0.07284740984697 0.75930705244119 0.38766784182427 15.999 > 43 *87 O 0.58741929270423 0.26023044900268 0.12526063796752 15.999 > 44 88 O 0.58741929270423 0.76023044900268 0.12526063796752 15.999 > 44 89 O 0.66981865905224 0.00479108282773 0.43993926485419 15.999 > 45 90 O 0.66981865905224 0.50479108282773 0.43993926485419 15.999 > 45 *91 O 0.07121290975576 0.28230742453436 0.74998695262367 15.999 > 46 92 O 0.07121290975576 0.78230742453436 0.74998695262367 15.999 > 46 *93 O 0.31888575075814 0.00647167853112 0.55835314768929 15.999 > 47 94 O 0.31888575075814 0.50647167853112 0.55835314768929 15.999 > 47 95 O 0.68111424924186 0.49352832146888 0.05835314768929 15.999 > 48 96 O 0.68111424924186 0.99352832146888 0.05835314768929 15.999 > 48 97 O 0.41258070729577 0.23976955099732 0.62526063796752 15.999 > 49 98 O 0.41258070729577 0.73976955099732 0.62526063796752 15.999 > 49 *99 O 0.33385860961078 0.03544828082637 0.24964997638640 15.999 > 50 100 O 0.33385860961078 0.53544828082637 0.24964997638640 15.999 > 50 101 O 0.91258070729577 0.26023044900268 0.62526063796752 15.999 > 51 102 O 0.91258070729577 0.76023044900268 0.62526063796752 15.999 > 51 103 O 0.08741929270423 0.23976955099732 0.12526063796752 15.999 > 52 104 O 0.08741929270423 0.73976955099732 0.12526063796752 15.999 > 52 *105 O 0.94377153842795 0.48630132748432 0.75850473765095 15.999 > 53 106 O 0.94377153842795 0.98630132748432 0.75850473765095 15.999 > 53 107 O 0.92878709024424 0.21769257546564 0.24998695262367 15.999 > 54 108 O 0.92878709024424 0.71769257546564 0.24998695262367 15.999 > 54 109 O 0.81888575075814 0.49352832146888 0.55835314768929 15.999 > 55 110 O 0.81888575075814 0.99352832146888 0.55835314768929 15.999 > 55 111 O 0.00438304053999 0.49423033187227 0.50301680264847 15.999 > 56 112 O 0.00438304053999 0.99423033187227 0.50301680264847 15.999 > 56 113 O 0.57121290975576 0.21769257546564 0.74998695262367 15.999 > 57 114 O 0.57121290975576 0.71769257546564 0.74998695262367 15.999 > 57 115 O 0.83018134094776 0.00479108282773 0.93993926485419 15.999 > 58 116 O 0.83018134094776 0.50479108282773 0.93993926485419 15.999 > 58 117 O 0.55622846157205 0.48630132748432 0.25850473765095 15.999 > 59 118 O 0.55622846157205 0.98630132748432 0.25850473765095 15.999 > 59 119 O 0.57284740984697 0.24069294755881 0.38766784182427 15.999 > 60 120 O 0.57284740984697 0.74069294755881 0.38766784182427 15.999 > 60 121 O 0.42878709024424 0.28230742453436 0.24998695262367 15.999 > 61 122 O 0.42878709024424 0.78230742453436 0.24998695262367 15.999 > 61 123 O 0.78581399547531 0.20739912876975 0.37909661107126 15.999 > 62 124 O 0.78581399547531 0.70739912876975 0.37909661107126 15.999 > 62 125 O 0.66614139038923 0.46455171917363 0.74964997638640 15.999 > 63 126 O 0.66614139038923 0.96455171917363 0.74964997638640 15.999 > 63 127 O 0.05622846157205 0.01369867251568 0.25850473765095 15.999 > 64 128 O 0.05622846157205 0.51369867251568 0.25850473765095 15.999 > 64 129 O 0.83385860961077 0.46455171917363 0.24964997638640 15.999 > 65 130 O 0.83385860961077 0.96455171917363 0.24964997638640 15.999 > 65 131 O 0.21418600452469 0.29260087123025 0.87909661107126 15.999 > 66 132 O 0.21418600452469 0.79260087123025 0.87909661107126 15.999 > 66 133 O 0.71175583402383 0.20945274203533 0.61853219960355 15.999 > 67 134 O 0.71175583402383 0.70945274203533 0.61853219960355 15.999 > 67 135 O 0.18111424924186 0.00647167853112 0.05835314768929 15.999 > 68 136 O 0.18111424924186 0.50647167853112 0.05835314768929 15.999 > 68 137 O 0.44377153842795 0.01369867251568 0.75850473765095 15.999 > 69 138 O 0.44377153842795 0.51369867251568 0.75850473765095 15.999 > 69 139 O 0.99561695946001 0.00576966812773 0.00301680264847 15.999 > 70 140 O 0.99561695946001 0.50576966812773 0.00301680264847 15.999 > 70 141 O 0.28824416597617 0.29054725796467 0.11853219960355 15.999 > 71 142 O 0.28824416597617 0.79054725796467 0.11853219960355 15.999 > 71 143 O 0.16614139038923 0.03544828082637 0.74964997638640 15.999 > 72 144 O 0.16614139038923 0.53544828082637 0.74964997638640 15.999 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1735688 0.0000000 0.0000000 0.0000000 3.1936381 0.0000000 0.0000000 0.0000000 3.1729988 -------------------------- Born effective charges -------------------------- 1 Ca 2.2997512 -0.0538258 -0.2354161 -0.0644297 2.3998805 0.1278121 -0.2136686 0.1505615 2.5011942 2 Ca 2.2997512 0.0538258 -0.2354161 0.0644297 2.3998805 -0.1278121 -0.2136686 -0.1505615 2.5011942 3 Ca 2.1913363 0.0022985 -0.1782977 -0.0310826 2.3445991 0.0853948 -0.1450044 0.1472770 2.6363306 4 Ca 2.6831889 0.0861914 -0.1463897 -0.0185382 2.3218721 -0.0184044 -0.1016538 -0.0254871 2.2935075 5 Ca 2.1913363 -0.0022985 -0.1782977 0.0310826 2.3445991 -0.0853948 -0.1450044 -0.1472770 2.6363306 6 Ca 2.2997512 0.0538258 0.2354161 0.0644297 2.3998805 0.1278121 0.2136686 0.1505615 2.5011942 7 Ca 2.1913363 0.0022985 0.1782977 -0.0310826 2.3445991 -0.0853948 0.1450044 -0.1472770 2.6363306 8 Ca 2.6831889 -0.0861914 0.1463897 0.0185382 2.3218721 -0.0184044 0.1016538 -0.0254871 2.2935075 9 Ca 2.2997512 -0.0538258 0.2354161 -0.0644297 2.3998805 -0.1278121 0.2136686 -0.1505615 2.5011942 10 Ca 2.6831889 -0.0861914 -0.1463897 0.0185382 2.3218721 0.0184044 -0.1016538 0.0254871 2.2935075 11 Ca 2.6831889 0.0861914 0.1463897 -0.0185382 2.3218721 0.0184044 0.1016538 0.0254871 2.2935075 12 Ca 2.1913363 -0.0022985 0.1782977 0.0310826 2.3445991 0.0853948 0.1450044 0.1472770 2.6363306 13 Al 2.7132617 -0.0571662 0.0560672 -0.0068781 2.4259893 -0.0056674 0.1114058 0.0292094 2.5926357 14 Al 2.4541434 0.0304995 0.0472912 -0.1205970 2.6289445 -0.0448114 0.0583651 0.0988212 2.5482206 15 Al 2.7132617 0.0571662 -0.0560672 0.0068781 2.4259893 -0.0056674 -0.1114058 0.0292094 2.5926357 16 Al 2.4541434 0.0304995 -0.0472912 -0.1205970 2.6289445 0.0448114 -0.0583651 -0.0988212 2.5482206 17 Al 2.3048387 0.1590884 0.0112318 0.1299376 2.5714598 -0.0154619 -0.0294811 0.0155836 2.3994932 18 Al 2.4541434 -0.0304995 -0.0472912 0.1205970 2.6289445 -0.0448114 -0.0583651 0.0988212 2.5482206 19 Al 2.7132617 0.0571662 0.0560672 0.0068781 2.4259893 0.0056674 0.1114058 -0.0292094 2.5926357 20 Al 2.3048387 -0.1590884 -0.0112318 -0.1299376 2.5714598 -0.0154619 0.0294811 0.0155836 2.3994932 21 Al 2.7132617 -0.0571662 -0.0560672 -0.0068781 2.4259893 0.0056674 -0.1114058 -0.0292094 2.5926357 22 Al 2.3750756 -0.0262453 0.1280477 -0.0649028 2.5180270 -0.0296275 0.0261203 -0.0436386 2.4631861 23 Al 2.3750756 0.0262453 0.1280477 0.0649028 2.5180270 0.0296275 0.0261203 0.0436386 2.4631861 24 Al 2.3048387 0.1590884 -0.0112318 0.1299376 2.5714598 0.0154619 0.0294811 -0.0155836 2.3994932 25 Al 2.3750756 -0.0262453 -0.1280477 -0.0649028 2.5180270 0.0296275 -0.0261203 0.0436386 2.4631861 26 Al 2.4541434 -0.0304995 0.0472912 0.1205970 2.6289445 0.0448114 0.0583651 -0.0988212 2.5482206 27 Al 2.3750756 0.0262453 -0.1280477 0.0649028 2.5180270 -0.0296275 -0.0261203 -0.0436386 2.4631861 28 Al 2.3048387 -0.1590884 0.0112318 -0.1299376 2.5714598 0.0154619 -0.0294811 -0.0155836 2.3994932 29 Zn 1.8195035 -0.0837237 0.0682892 -0.0763765 2.0103218 -0.0351372 0.0485307 -0.0751652 1.7040070 30 Zn 1.8195035 0.0837237 -0.0682892 0.0763765 2.0103218 -0.0351372 -0.0485307 -0.0751652 1.7040070 31 Zn 1.8195035 -0.0837237 -0.0682892 -0.0763765 2.0103218 0.0351372 -0.0485307 0.0751652 1.7040070 32 Zn 1.8195035 0.0837237 0.0682892 0.0763765 2.0103218 0.0351372 0.0485307 0.0751652 1.7040070 33 O -1.5062704 -0.0166112 0.1734256 -0.0088651 -2.1780482 0.1573504 0.1825182 0.2064056 -1.9790025 34 O -1.7784278 -0.0681906 -0.2138500 -0.1132572 -1.9177913 -0.1773032 -0.1737702 -0.1272864 -1.9795758 35 O -1.7282028 0.1054451 0.2044296 0.1213630 -1.8538489 -0.1602486 0.1803060 -0.1162110 -2.0493884 36 O -2.2674506 -0.0907282 -0.4056301 0.0355577 -1.7169550 -0.2882573 -0.4003127 -0.3975157 -1.8626832 37 O -2.2674506 -0.0907282 0.4056301 0.0355577 -1.7169550 0.2882573 0.4003127 0.3975157 -1.8626832 38 O -1.7282028 0.1054451 -0.2044296 0.1213630 -1.8538489 0.1602486 -0.1803060 0.1162110 -2.0493884 39 O -2.2455277 -0.1434283 0.1328804 -0.1885707 -1.6746098 0.0446193 0.1140249 0.0278212 -1.7571436 40 O -1.5062704 0.0166112 0.1734256 0.0088651 -2.1780482 -0.1573504 0.1825182 -0.2064056 -1.9790025 41 O -1.7784278 -0.0681906 0.2138500 -0.1132572 -1.9177913 0.1773032 0.1737702 0.1272864 -1.9795758 42 O -2.2455277 0.1434283 -0.1328804 0.1885707 -1.6746098 0.0446193 -0.1140249 0.0278212 -1.7571436 43 O -1.5062704 -0.0166112 -0.1734256 -0.0088651 -2.1780482 -0.1573504 -0.1825182 -0.2064056 -1.9790025 44 O -1.5885450 -0.0441645 0.1939800 -0.0233451 -2.0779691 -0.1725926 0.2021515 -0.0753817 -1.9635507 45 O -2.2455277 -0.1434283 -0.1328804 -0.1885707 -1.6746098 -0.0446193 -0.1140249 -0.0278212 -1.7571436 46 O -2.4096710 -0.1175447 -0.0009712 -0.0866698 -1.6579380 -0.0218589 0.0038435 0.0029535 -1.6512267 47 O -2.1251058 -0.1553667 -0.0024331 -0.1734427 -1.8451191 -0.1168447 -0.0149171 -0.0860398 -1.7967890 48 O -2.1251058 -0.1553667 0.0024331 -0.1734427 -1.8451191 0.1168447 0.0149171 0.0860398 -1.7967890 49 O -1.5885450 -0.0441645 -0.1939800 -0.0233451 -2.0779691 0.1725926 -0.2021515 0.0753817 -1.9635507 50 O -1.8216172 0.0427514 -0.0231064 0.0393876 -2.1446899 0.0254734 -0.0241890 0.0351285 -1.9444187 51 O -1.5885450 0.0441645 -0.1939800 0.0233451 -2.0779691 -0.1725926 -0.2021515 -0.0753817 -1.9635507 52 O -1.5885450 0.0441645 0.1939800 0.0233451 -2.0779691 0.1725926 0.2021515 0.0753817 -1.9635507 53 O -1.3702810 0.1445452 -0.0480472 0.0973950 -2.1541248 -0.0853844 -0.0571485 -0.0417426 -2.1547961 54 O -2.4096710 -0.1175447 0.0009712 -0.0866698 -1.6579380 0.0218589 -0.0038435 -0.0029535 -1.6512267 55 O -2.1251058 0.1553667 -0.0024331 0.1734427 -1.8451191 0.1168447 -0.0149171 0.0860398 -1.7967890 56 O -2.2674506 0.0907282 0.4056301 -0.0355577 -1.7169550 -0.2882573 0.4003127 -0.3975157 -1.8626832 57 O -2.4096710 0.1175447 -0.0009712 0.0866698 -1.6579380 0.0218589 0.0038435 -0.0029535 -1.6512267 58 O -2.2455277 0.1434283 0.1328804 0.1885707 -1.6746098 -0.0446193 0.1140249 -0.0278212 -1.7571436 59 O -1.3702810 -0.1445452 0.0480472 -0.0973950 -2.1541248 -0.0853844 0.0571485 -0.0417426 -2.1547961 60 O -1.5062704 0.0166112 -0.1734256 0.0088651 -2.1780482 0.1573504 -0.1825182 0.2064056 -1.9790025 61 O -2.4096710 0.1175447 0.0009712 0.0866698 -1.6579380 -0.0218589 -0.0038435 0.0029535 -1.6512267 62 O -1.7282028 -0.1054451 0.2044296 -0.1213630 -1.8538489 0.1602486 0.1803060 0.1162110 -2.0493884 63 O -1.8216172 0.0427514 0.0231064 0.0393876 -2.1446899 -0.0254734 0.0241890 -0.0351285 -1.9444187 64 O -1.3702810 0.1445452 0.0480472 0.0973950 -2.1541248 0.0853844 0.0571485 0.0417426 -2.1547961 65 O -1.8216172 -0.0427514 -0.0231064 -0.0393876 -2.1446899 -0.0254734 -0.0241890 -0.0351285 -1.9444187 66 O -1.7282028 -0.1054451 -0.2044296 -0.1213630 -1.8538489 -0.1602486 -0.1803060 -0.1162110 -2.0493884 67 O -1.7784278 0.0681906 0.2138500 0.1132572 -1.9177913 -0.1773032 0.1737702 -0.1272864 -1.9795758 68 O -2.1251058 0.1553667 0.0024331 0.1734427 -1.8451191 -0.1168447 0.0149171 -0.0860398 -1.7967890 69 O -1.3702810 -0.1445452 -0.0480472 -0.0973950 -2.1541248 0.0853844 -0.0571485 0.0417426 -2.1547961 70 O -2.2674506 0.0907282 -0.4056301 -0.0355577 -1.7169550 0.2882573 -0.4003127 0.3975157 -1.8626832 71 O -1.7784278 0.0681906 -0.2138500 0.1132572 -1.9177913 0.1773032 -0.1737702 0.1272864 -1.9795758 72 O -1.8216172 -0.0427514 0.0231064 -0.0393876 -2.1446899 0.0254734 0.0241890 0.0351285 -1.9444187 ---------------------------------------------------------------------------- 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: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 226 eigenvectors found. (2) Block: 500 / 592 (2) 228 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 156 (1) Compute compressed projector. (1) Use standard solver. (1) 120 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 65 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 61 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 217 eigenvectors found. (2) Block: 500 / 592 (2) 226 eigenvectors found. (2) Block: 592 / 592 (2) 79 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 37 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 172 (1) Compute compressed projector. (1) Use standard solver. (1) 136 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 69 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 218 eigenvectors found. (2) Block: 500 / 592 (2) 223 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 73 (2) Compute compressed projector. (2) Use standard solver. (2) 41 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 168 (1) Compute compressed projector. (1) Use standard solver. (1) 132 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 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: 1368 / 1368 (1) 357 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 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: 1368 / 1368 (1) 357 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 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: 1368 / 1368 (1) 357 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. Tree of FC basis block matrices: - (11880, 11718), data: False |-- (1368, 1350), data: False |-- (1368, 27), data: (1368, 45) @ (45, 27) |-- (368, 357), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), 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 |-- (1368, 1350), data: False |-- (1368, 27), data: (1368, 45) @ (45, 27) |-- (368, 357), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), 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 |-- (1368, 1350), data: False |-- (1368, 27), data: (1368, 45) @ (45, 27) |-- (368, 357), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), 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 |-- (2592, 2556), data: False |-- (2592, 132), data: (2592, 168) @ (168, 132) |-- (592, 560), data: False |-- (592, 41), data: (592, 73) @ (73, 41) |-- (92, 78), data: True |-- (250, 223), data: True |-- (250, 218), data: True |-- (500, 465), data: False |-- (500, 23), data: (500, 58) @ (58, 23) |-- (250, 215), data: True |-- (250, 227), data: True |-- (500, 464), data: False |-- (500, 33), data: (500, 69) @ (69, 33) |-- (250, 217), data: True |-- (250, 214), data: True |-- (500, 466), data: False |-- (500, 14), data: (500, 48) @ (48, 14) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 469), data: False |-- (500, 24), data: (500, 55) @ (55, 24) |-- (250, 226), data: True |-- (250, 219), data: True |-- (2592, 2556), data: False |-- (2592, 136), data: (2592, 172) @ (172, 136) |-- (592, 559), data: False |-- (592, 37), data: (592, 70) @ (70, 37) |-- (92, 79), data: True |-- (250, 226), data: True |-- (250, 217), data: True |-- (500, 464), data: False |-- (500, 22), data: (500, 58) @ (58, 22) |-- (250, 214), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 29), data: (500, 61) @ (61, 29) |-- (250, 221), data: True |-- (250, 218), data: True |-- (500, 465), data: False |-- (500, 20), data: (500, 55) @ (55, 20) |-- (250, 215), data: True |-- (250, 230), data: True |-- (500, 464), data: False |-- (500, 29), data: (500, 65) @ (65, 29) |-- (250, 221), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 120), data: (2592, 156) @ (156, 120) |-- (592, 568), data: False |-- (592, 34), data: (592, 58) @ (58, 34) |-- (92, 80), data: True |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 475), data: False |-- (500, 16), data: (500, 41) @ (41, 16) |-- (250, 234), data: True |-- (250, 225), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 216), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2160 - Time: 9.804 Solver_block: 200 / 2160 - Time: 8.312 Solver_block: 300 / 2160 - Time: 7.549 Solver_block: 400 / 2160 - Time: 8.310 Solver_block: 500 / 2160 - Time: 9.431 Solver_block: 600 / 2160 - Time: 9.283 Solver_block: 700 / 2160 - Time: 9.280 Solver_block: 800 / 2160 - Time: 5.400 Solver_block: 900 / 2160 - Time: 3.791 Solver_block: 1000 / 2160 - Time: 5.843 Solver_block: 1100 / 2160 - Time: 5.741 Solver_block: 1200 / 2160 - Time: 5.845 Solver_block: 1300 / 2160 - Time: 5.986 Solver_block: 1400 / 2160 - Time: 6.231 Solver_block: 1500 / 2160 - Time: 5.940 Solver_block: 1600 / 2160 - Time: 4.545 Solver_block: 1700 / 2160 - Time: 5.876 Solver_block: 1800 / 2160 - Time: 4.977 Solver_block: 1900 / 2160 - Time: 6.234 Solver_block: 2000 / 2160 - Time: 9.664 Solver_block: 2100 / 2160 - Time: 9.636 Solver_block: 2160 / 2160 - Time: 4.764 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 157.697 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 226 eigenvectors found. (2) Block: 500 / 592 (2) 228 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 156 (1) Compute compressed projector. (1) Use standard solver. (1) 120 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 65 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 61 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 217 eigenvectors found. (2) Block: 500 / 592 (2) 226 eigenvectors found. (2) Block: 592 / 592 (2) 79 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 37 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 172 (1) Compute compressed projector. (1) Use standard solver. (1) 136 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 69 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 218 eigenvectors found. (2) Block: 500 / 592 (2) 223 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 73 (2) Compute compressed projector. (2) Use standard solver. (2) 41 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 168 (1) Compute compressed projector. (1) Use standard solver. (1) 132 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 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: 1368 / 1368 (1) 357 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 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: 1368 / 1368 (1) 357 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (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 / 1368 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 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: 1368 / 1368 (1) 357 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. Tree of FC basis block matrices: - (11880, 11718), data: False |-- (1368, 1350), data: False |-- (1368, 27), data: (1368, 45) @ (45, 27) |-- (368, 357), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), 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 |-- (1368, 1350), data: False |-- (1368, 27), data: (1368, 45) @ (45, 27) |-- (368, 357), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), 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 |-- (1368, 1350), data: False |-- (1368, 27), data: (1368, 45) @ (45, 27) |-- (368, 357), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), 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 |-- (2592, 2556), data: False |-- (2592, 132), data: (2592, 168) @ (168, 132) |-- (592, 560), data: False |-- (592, 41), data: (592, 73) @ (73, 41) |-- (92, 78), data: True |-- (250, 223), data: True |-- (250, 218), data: True |-- (500, 465), data: False |-- (500, 23), data: (500, 58) @ (58, 23) |-- (250, 215), data: True |-- (250, 227), data: True |-- (500, 464), data: False |-- (500, 33), data: (500, 69) @ (69, 33) |-- (250, 217), data: True |-- (250, 214), data: True |-- (500, 466), data: False |-- (500, 14), data: (500, 48) @ (48, 14) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 469), data: False |-- (500, 24), data: (500, 55) @ (55, 24) |-- (250, 226), data: True |-- (250, 219), data: True |-- (2592, 2556), data: False |-- (2592, 136), data: (2592, 172) @ (172, 136) |-- (592, 559), data: False |-- (592, 37), data: (592, 70) @ (70, 37) |-- (92, 79), data: True |-- (250, 226), data: True |-- (250, 217), data: True |-- (500, 464), data: False |-- (500, 22), data: (500, 58) @ (58, 22) |-- (250, 214), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 29), data: (500, 61) @ (61, 29) |-- (250, 221), data: True |-- (250, 218), data: True |-- (500, 465), data: False |-- (500, 20), data: (500, 55) @ (55, 20) |-- (250, 215), data: True |-- (250, 230), data: True |-- (500, 464), data: False |-- (500, 29), data: (500, 65) @ (65, 29) |-- (250, 221), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 120), data: (2592, 156) @ (156, 120) |-- (592, 568), data: False |-- (592, 34), data: (592, 58) @ (58, 34) |-- (92, 80), data: True |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 475), data: False |-- (500, 16), data: (500, 41) @ (41, 16) |-- (250, 234), data: True |-- (250, 225), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 216), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:57:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:57:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 16.758010689999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.117424279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.657414349999998 Atomic positions (fractional): 1 Ca 0.39370009448028 0.28548335420118 0.07863101896449 40.078 2 Ca 0.89370009448028 0.71451664579882 0.07863101896449 40.078 3 Ca 0.61039821094282 0.71329616708396 0.93014905936059 40.078 4 Ca 0.79103087135478 0.73236108601224 0.73908744343999 40.078 5 Ca 0.11039821094282 0.28670383291604 0.93014905936059 40.078 6 Ca 0.10629990551972 0.28548335420118 0.57863101896449 40.078 7 Ca 0.38960178905718 0.28670383291604 0.43014905936059 40.078 8 Ca 0.70896912864522 0.73236108601224 0.23908744343999 40.078 9 Ca 0.60629990551972 0.71451664579882 0.57863101896449 40.078 10 Ca 0.29103087135478 0.26763891398776 0.73908744343999 40.078 11 Ca 0.20896912864522 0.26763891398776 0.23908744343999 40.078 12 Ca 0.88960178905718 0.71329616708396 0.43014905936059 40.078 13 Al 0.25195824035432 0.79204176436563 0.99888991002425 26.982 14 Al 0.46952340005506 0.36114514115237 0.75293731499989 26.982 15 Al 0.24804175964568 0.79204176436563 0.49888991002425 26.982 16 Al 0.53047659994494 0.63885485884763 0.25293731499989 26.982 17 Al 0.83567267197064 0.26800499452212 0.24971757851234 26.982 18 Al 0.03047659994494 0.36114514115237 0.25293731499989 26.982 19 Al 0.75195824035432 0.20795823563437 0.99888991002425 26.982 20 Al 0.66432732802936 0.26800499452212 0.74971757851234 26.982 21 Al 0.74804175964568 0.20795823563437 0.49888991002425 26.982 22 Al 0.92468373476575 0.13841819109779 0.89962923391790 26.982 23 Al 0.42468373476575 0.86158180890221 0.89962923391790 26.982 24 Al 0.16432732802936 0.73199500547788 0.74971757851234 26.982 25 Al 0.07531626523425 0.86158180890221 0.39962923391790 26.982 26 Al 0.96952340005506 0.63885485884763 0.75293731499989 26.982 27 Al 0.57531626523425 0.13841819109779 0.39962923391790 26.982 28 Al 0.33567267197064 0.73199500547788 0.24971757851234 26.982 29 Zn 0.07979302835958 0.84671692860310 0.09995021846098 65.380 30 Zn 0.42020697164042 0.84671692860310 0.59995021846098 65.380 31 Zn 0.92020697164042 0.15328307139690 0.59995021846098 65.380 32 Zn 0.57979302835958 0.15328307139690 0.09995021846098 65.380 33 O 0.92715259015303 0.48138589511761 0.88766784182427 15.999 34 O 0.78824416597617 0.41890548407066 0.11853219960355 15.999 35 O 0.28581399547531 0.58520174246050 0.37909661107126 15.999 36 O 0.49561695946001 0.98846066374454 0.00301680264847 15.999 37 O 0.50438304053999 0.01153933625546 0.50301680264847 15.999 38 O 0.71418600452469 0.41479825753950 0.87909661107126 15.999 39 O 0.33018134094776 0.99041783434454 0.93993926485419 15.999 40 O 0.42715259015303 0.51861410488239 0.88766784182427 15.999 41 O 0.21175583402383 0.58109451592934 0.61853219960355 15.999 42 O 0.16981865905224 0.99041783434454 0.43993926485419 15.999 43 O 0.07284740984697 0.51861410488239 0.38766784182427 15.999 44 O 0.58741929270423 0.52046089800537 0.12526063796752 15.999 45 O 0.66981865905224 0.00958216565547 0.43993926485419 15.999 46 O 0.07121290975576 0.56461484906871 0.74998695262367 15.999 47 O 0.31888575075814 0.01294335706225 0.55835314768929 15.999 48 O 0.68111424924186 0.98705664293775 0.05835314768929 15.999 49 O 0.41258070729577 0.47953910199463 0.62526063796752 15.999 50 O 0.33385860961078 0.07089656165273 0.24964997638640 15.999 51 O 0.91258070729577 0.52046089800537 0.62526063796752 15.999 52 O 0.08741929270423 0.47953910199463 0.12526063796752 15.999 53 O 0.94377153842795 0.97260265496864 0.75850473765095 15.999 54 O 0.92878709024424 0.43538515093129 0.24998695262367 15.999 55 O 0.81888575075814 0.98705664293775 0.55835314768929 15.999 56 O 0.00438304053999 0.98846066374454 0.50301680264847 15.999 57 O 0.57121290975576 0.43538515093129 0.74998695262367 15.999 58 O 0.83018134094776 0.00958216565547 0.93993926485419 15.999 59 O 0.55622846157205 0.97260265496864 0.25850473765095 15.999 60 O 0.57284740984697 0.48138589511761 0.38766784182427 15.999 61 O 0.42878709024424 0.56461484906871 0.24998695262367 15.999 62 O 0.78581399547531 0.41479825753950 0.37909661107126 15.999 63 O 0.66614139038923 0.92910343834727 0.74964997638640 15.999 64 O 0.05622846157205 0.02739734503136 0.25850473765095 15.999 65 O 0.83385860961077 0.92910343834727 0.24964997638640 15.999 66 O 0.21418600452469 0.58520174246050 0.87909661107126 15.999 67 O 0.71175583402383 0.41890548407066 0.61853219960355 15.999 68 O 0.18111424924186 0.01294335706225 0.05835314768929 15.999 69 O 0.44377153842795 0.02739734503136 0.75850473765095 15.999 70 O 0.99561695946001 0.01153933625546 0.00301680264847 15.999 71 O 0.28824416597617 0.58109451592934 0.11853219960355 15.999 72 O 0.16614139038923 0.07089656165273 0.74964997638640 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.758010689999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.234848559999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.657414349999998 Atomic positions (fractional): 1 Ca 0.39370009448028 0.14274167710059 0.07863101896449 40.078 > 1 2 Ca 0.39370009448028 0.64274167710059 0.07863101896449 40.078 > 1 3 Ca 0.89370009448028 0.35725832289941 0.07863101896449 40.078 > 3 4 Ca 0.89370009448028 0.85725832289941 0.07863101896449 40.078 > 3 5 Ca 0.61039821094282 0.35664808354198 0.93014905936059 40.078 > 5 6 Ca 0.61039821094282 0.85664808354198 0.93014905936059 40.078 > 5 7 Ca 0.79103087135478 0.36618054300612 0.73908744343999 40.078 > 7 8 Ca 0.79103087135478 0.86618054300612 0.73908744343999 40.078 > 7 9 Ca 0.11039821094282 0.14335191645802 0.93014905936059 40.078 > 9 10 Ca 0.11039821094282 0.64335191645802 0.93014905936059 40.078 > 9 11 Ca 0.10629990551972 0.14274167710059 0.57863101896449 40.078 > 11 12 Ca 0.10629990551972 0.64274167710059 0.57863101896449 40.078 > 11 13 Ca 0.38960178905718 0.14335191645802 0.43014905936059 40.078 > 13 14 Ca 0.38960178905718 0.64335191645802 0.43014905936059 40.078 > 13 15 Ca 0.70896912864522 0.36618054300612 0.23908744343999 40.078 > 15 16 Ca 0.70896912864522 0.86618054300612 0.23908744343999 40.078 > 15 17 Ca 0.60629990551972 0.35725832289941 0.57863101896449 40.078 > 17 18 Ca 0.60629990551972 0.85725832289941 0.57863101896449 40.078 > 17 19 Ca 0.29103087135478 0.13381945699388 0.73908744343999 40.078 > 19 20 Ca 0.29103087135478 0.63381945699388 0.73908744343999 40.078 > 19 21 Ca 0.20896912864522 0.13381945699388 0.23908744343999 40.078 > 21 22 Ca 0.20896912864522 0.63381945699388 0.23908744343999 40.078 > 21 23 Ca 0.88960178905718 0.35664808354198 0.43014905936059 40.078 > 23 24 Ca 0.88960178905718 0.85664808354198 0.43014905936059 40.078 > 23 25 Al 0.25195824035432 0.39602088218282 0.99888991002425 26.982 > 25 26 Al 0.25195824035432 0.89602088218282 0.99888991002425 26.982 > 25 27 Al 0.46952340005506 0.18057257057618 0.75293731499989 26.982 > 27 28 Al 0.46952340005506 0.68057257057618 0.75293731499989 26.982 > 27 29 Al 0.24804175964568 0.39602088218282 0.49888991002425 26.982 > 29 30 Al 0.24804175964568 0.89602088218282 0.49888991002425 26.982 > 29 31 Al 0.53047659994494 0.31942742942382 0.25293731499989 26.982 > 31 32 Al 0.53047659994494 0.81942742942382 0.25293731499989 26.982 > 31 33 Al 0.83567267197064 0.13400249726106 0.24971757851234 26.982 > 33 34 Al 0.83567267197064 0.63400249726106 0.24971757851234 26.982 > 33 35 Al 0.03047659994494 0.18057257057618 0.25293731499989 26.982 > 35 36 Al 0.03047659994494 0.68057257057618 0.25293731499989 26.982 > 35 37 Al 0.75195824035432 0.10397911781718 0.99888991002425 26.982 > 37 38 Al 0.75195824035432 0.60397911781718 0.99888991002425 26.982 > 37 39 Al 0.66432732802936 0.13400249726106 0.74971757851234 26.982 > 39 40 Al 0.66432732802936 0.63400249726106 0.74971757851234 26.982 > 39 41 Al 0.74804175964568 0.10397911781718 0.49888991002425 26.982 > 41 42 Al 0.74804175964568 0.60397911781718 0.49888991002425 26.982 > 41 43 Al 0.92468373476575 0.06920909554889 0.89962923391790 26.982 > 43 44 Al 0.92468373476575 0.56920909554889 0.89962923391790 26.982 > 43 45 Al 0.42468373476575 0.43079090445111 0.89962923391790 26.982 > 45 46 Al 0.42468373476575 0.93079090445111 0.89962923391790 26.982 > 45 47 Al 0.16432732802936 0.36599750273894 0.74971757851234 26.982 > 47 48 Al 0.16432732802936 0.86599750273894 0.74971757851234 26.982 > 47 49 Al 0.07531626523425 0.43079090445111 0.39962923391790 26.982 > 49 50 Al 0.07531626523425 0.93079090445111 0.39962923391790 26.982 > 49 51 Al 0.96952340005506 0.31942742942382 0.75293731499989 26.982 > 51 52 Al 0.96952340005506 0.81942742942382 0.75293731499989 26.982 > 51 53 Al 0.57531626523425 0.06920909554889 0.39962923391790 26.982 > 53 54 Al 0.57531626523425 0.56920909554889 0.39962923391790 26.982 > 53 55 Al 0.33567267197064 0.36599750273894 0.24971757851234 26.982 > 55 56 Al 0.33567267197064 0.86599750273894 0.24971757851234 26.982 > 55 57 Zn 0.07979302835958 0.42335846430155 0.09995021846098 65.380 > 57 58 Zn 0.07979302835958 0.92335846430155 0.09995021846098 65.380 > 57 59 Zn 0.42020697164042 0.42335846430155 0.59995021846098 65.380 > 59 60 Zn 0.42020697164042 0.92335846430155 0.59995021846098 65.380 > 59 61 Zn 0.92020697164042 0.07664153569845 0.59995021846098 65.380 > 61 62 Zn 0.92020697164042 0.57664153569845 0.59995021846098 65.380 > 61 63 Zn 0.57979302835958 0.07664153569845 0.09995021846098 65.380 > 63 64 Zn 0.57979302835958 0.57664153569845 0.09995021846098 65.380 > 63 65 O 0.92715259015303 0.24069294755881 0.88766784182427 15.999 > 65 66 O 0.92715259015303 0.74069294755881 0.88766784182427 15.999 > 65 67 O 0.78824416597617 0.20945274203533 0.11853219960355 15.999 > 67 68 O 0.78824416597617 0.70945274203533 0.11853219960355 15.999 > 67 69 O 0.28581399547531 0.29260087123025 0.37909661107126 15.999 > 69 70 O 0.28581399547531 0.79260087123025 0.37909661107126 15.999 > 69 71 O 0.49561695946001 0.49423033187227 0.00301680264847 15.999 > 71 72 O 0.49561695946001 0.99423033187227 0.00301680264847 15.999 > 71 73 O 0.50438304053999 0.00576966812773 0.50301680264847 15.999 > 73 74 O 0.50438304053999 0.50576966812773 0.50301680264847 15.999 > 73 75 O 0.71418600452469 0.20739912876975 0.87909661107126 15.999 > 75 76 O 0.71418600452469 0.70739912876975 0.87909661107126 15.999 > 75 77 O 0.33018134094776 0.49520891717227 0.93993926485419 15.999 > 77 78 O 0.33018134094776 0.99520891717227 0.93993926485419 15.999 > 77 79 O 0.42715259015303 0.25930705244119 0.88766784182427 15.999 > 79 80 O 0.42715259015303 0.75930705244119 0.88766784182427 15.999 > 79 81 O 0.21175583402383 0.29054725796467 0.61853219960355 15.999 > 81 82 O 0.21175583402383 0.79054725796467 0.61853219960355 15.999 > 81 83 O 0.16981865905224 0.49520891717227 0.43993926485419 15.999 > 83 84 O 0.16981865905224 0.99520891717227 0.43993926485419 15.999 > 83 85 O 0.07284740984697 0.25930705244119 0.38766784182427 15.999 > 85 86 O 0.07284740984697 0.75930705244119 0.38766784182427 15.999 > 85 87 O 0.58741929270423 0.26023044900268 0.12526063796752 15.999 > 87 88 O 0.58741929270423 0.76023044900268 0.12526063796752 15.999 > 87 89 O 0.66981865905224 0.00479108282773 0.43993926485419 15.999 > 89 90 O 0.66981865905224 0.50479108282773 0.43993926485419 15.999 > 89 91 O 0.07121290975576 0.28230742453436 0.74998695262367 15.999 > 91 92 O 0.07121290975576 0.78230742453436 0.74998695262367 15.999 > 91 93 O 0.31888575075814 0.00647167853112 0.55835314768929 15.999 > 93 94 O 0.31888575075814 0.50647167853112 0.55835314768929 15.999 > 93 95 O 0.68111424924186 0.49352832146888 0.05835314768929 15.999 > 95 96 O 0.68111424924186 0.99352832146888 0.05835314768929 15.999 > 95 97 O 0.41258070729577 0.23976955099732 0.62526063796752 15.999 > 97 98 O 0.41258070729577 0.73976955099732 0.62526063796752 15.999 > 97 99 O 0.33385860961078 0.03544828082637 0.24964997638640 15.999 > 99 100 O 0.33385860961078 0.53544828082637 0.24964997638640 15.999 > 99 101 O 0.91258070729577 0.26023044900268 0.62526063796752 15.999 > 101 102 O 0.91258070729577 0.76023044900268 0.62526063796752 15.999 > 101 103 O 0.08741929270423 0.23976955099732 0.12526063796752 15.999 > 103 104 O 0.08741929270423 0.73976955099732 0.12526063796752 15.999 > 103 105 O 0.94377153842795 0.48630132748432 0.75850473765095 15.999 > 105 106 O 0.94377153842795 0.98630132748432 0.75850473765095 15.999 > 105 107 O 0.92878709024424 0.21769257546564 0.24998695262367 15.999 > 107 108 O 0.92878709024424 0.71769257546564 0.24998695262367 15.999 > 107 109 O 0.81888575075814 0.49352832146888 0.55835314768929 15.999 > 109 110 O 0.81888575075814 0.99352832146888 0.55835314768929 15.999 > 109 111 O 0.00438304053999 0.49423033187227 0.50301680264847 15.999 > 111 112 O 0.00438304053999 0.99423033187227 0.50301680264847 15.999 > 111 113 O 0.57121290975576 0.21769257546564 0.74998695262367 15.999 > 113 114 O 0.57121290975576 0.71769257546564 0.74998695262367 15.999 > 113 115 O 0.83018134094776 0.00479108282773 0.93993926485419 15.999 > 115 116 O 0.83018134094776 0.50479108282773 0.93993926485419 15.999 > 115 117 O 0.55622846157205 0.48630132748432 0.25850473765095 15.999 > 117 118 O 0.55622846157205 0.98630132748432 0.25850473765095 15.999 > 117 119 O 0.57284740984697 0.24069294755881 0.38766784182427 15.999 > 119 120 O 0.57284740984697 0.74069294755881 0.38766784182427 15.999 > 119 121 O 0.42878709024424 0.28230742453436 0.24998695262367 15.999 > 121 122 O 0.42878709024424 0.78230742453436 0.24998695262367 15.999 > 121 123 O 0.78581399547531 0.20739912876975 0.37909661107126 15.999 > 123 124 O 0.78581399547531 0.70739912876975 0.37909661107126 15.999 > 123 125 O 0.66614139038923 0.46455171917363 0.74964997638640 15.999 > 125 126 O 0.66614139038923 0.96455171917363 0.74964997638640 15.999 > 125 127 O 0.05622846157205 0.01369867251568 0.25850473765095 15.999 > 127 128 O 0.05622846157205 0.51369867251568 0.25850473765095 15.999 > 127 129 O 0.83385860961077 0.46455171917363 0.24964997638640 15.999 > 129 130 O 0.83385860961077 0.96455171917363 0.24964997638640 15.999 > 129 131 O 0.21418600452469 0.29260087123025 0.87909661107126 15.999 > 131 132 O 0.21418600452469 0.79260087123025 0.87909661107126 15.999 > 131 133 O 0.71175583402383 0.20945274203533 0.61853219960355 15.999 > 133 134 O 0.71175583402383 0.70945274203533 0.61853219960355 15.999 > 133 135 O 0.18111424924186 0.00647167853112 0.05835314768929 15.999 > 135 136 O 0.18111424924186 0.50647167853112 0.05835314768929 15.999 > 135 137 O 0.44377153842795 0.01369867251568 0.75850473765095 15.999 > 137 138 O 0.44377153842795 0.51369867251568 0.75850473765095 15.999 > 137 139 O 0.99561695946001 0.00576966812773 0.00301680264847 15.999 > 139 140 O 0.99561695946001 0.50576966812773 0.00301680264847 15.999 > 139 141 O 0.28824416597617 0.29054725796467 0.11853219960355 15.999 > 141 142 O 0.28824416597617 0.79054725796467 0.11853219960355 15.999 > 141 143 O 0.16614139038923 0.03544828082637 0.74964997638640 15.999 > 143 144 O 0.16614139038923 0.53544828082637 0.74964997638640 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1735688 0.0000000 0.0000000 0.0000000 3.1936381 0.0000000 0.0000000 0.0000000 3.1729988 -------------------------- Born effective charges -------------------------- 1 Ca 2.2997512 -0.0538258 -0.2354161 -0.0644297 2.3998805 0.1278121 -0.2136686 0.1505615 2.5011942 2 Ca 2.2997512 0.0538258 -0.2354161 0.0644297 2.3998805 -0.1278121 -0.2136686 -0.1505615 2.5011942 3 Ca 2.1913363 0.0022985 -0.1782977 -0.0310826 2.3445991 0.0853948 -0.1450044 0.1472770 2.6363306 4 Ca 2.6831889 0.0861914 -0.1463897 -0.0185382 2.3218721 -0.0184044 -0.1016538 -0.0254871 2.2935075 5 Ca 2.1913363 -0.0022985 -0.1782977 0.0310826 2.3445991 -0.0853948 -0.1450044 -0.1472770 2.6363306 6 Ca 2.2997512 0.0538258 0.2354161 0.0644297 2.3998805 0.1278121 0.2136686 0.1505615 2.5011942 7 Ca 2.1913363 0.0022985 0.1782977 -0.0310826 2.3445991 -0.0853948 0.1450044 -0.1472770 2.6363306 8 Ca 2.6831889 -0.0861914 0.1463897 0.0185382 2.3218721 -0.0184044 0.1016538 -0.0254871 2.2935075 9 Ca 2.2997512 -0.0538258 0.2354161 -0.0644297 2.3998805 -0.1278121 0.2136686 -0.1505615 2.5011942 10 Ca 2.6831889 -0.0861914 -0.1463897 0.0185382 2.3218721 0.0184044 -0.1016538 0.0254871 2.2935075 11 Ca 2.6831889 0.0861914 0.1463897 -0.0185382 2.3218721 0.0184044 0.1016538 0.0254871 2.2935075 12 Ca 2.1913363 -0.0022985 0.1782977 0.0310826 2.3445991 0.0853948 0.1450044 0.1472770 2.6363306 13 Al 2.7132617 -0.0571662 0.0560672 -0.0068781 2.4259893 -0.0056674 0.1114058 0.0292094 2.5926357 14 Al 2.4541434 0.0304995 0.0472912 -0.1205970 2.6289445 -0.0448114 0.0583651 0.0988212 2.5482206 15 Al 2.7132617 0.0571662 -0.0560672 0.0068781 2.4259893 -0.0056674 -0.1114058 0.0292094 2.5926357 16 Al 2.4541434 0.0304995 -0.0472912 -0.1205970 2.6289445 0.0448114 -0.0583651 -0.0988212 2.5482206 17 Al 2.3048387 0.1590884 0.0112318 0.1299376 2.5714598 -0.0154619 -0.0294811 0.0155836 2.3994932 18 Al 2.4541434 -0.0304995 -0.0472912 0.1205970 2.6289445 -0.0448114 -0.0583651 0.0988212 2.5482206 19 Al 2.7132617 0.0571662 0.0560672 0.0068781 2.4259893 0.0056674 0.1114058 -0.0292094 2.5926357 20 Al 2.3048387 -0.1590884 -0.0112318 -0.1299376 2.5714598 -0.0154619 0.0294811 0.0155836 2.3994932 21 Al 2.7132617 -0.0571662 -0.0560672 -0.0068781 2.4259893 0.0056674 -0.1114058 -0.0292094 2.5926357 22 Al 2.3750756 -0.0262453 0.1280477 -0.0649028 2.5180270 -0.0296275 0.0261203 -0.0436386 2.4631861 23 Al 2.3750756 0.0262453 0.1280477 0.0649028 2.5180270 0.0296275 0.0261203 0.0436386 2.4631861 24 Al 2.3048387 0.1590884 -0.0112318 0.1299376 2.5714598 0.0154619 0.0294811 -0.0155836 2.3994932 25 Al 2.3750756 -0.0262453 -0.1280477 -0.0649028 2.5180270 0.0296275 -0.0261203 0.0436386 2.4631861 26 Al 2.4541434 -0.0304995 0.0472912 0.1205970 2.6289445 0.0448114 0.0583651 -0.0988212 2.5482206 27 Al 2.3750756 0.0262453 -0.1280477 0.0649028 2.5180270 -0.0296275 -0.0261203 -0.0436386 2.4631861 28 Al 2.3048387 -0.1590884 0.0112318 -0.1299376 2.5714598 0.0154619 -0.0294811 -0.0155836 2.3994932 29 Zn 1.8195035 -0.0837237 0.0682892 -0.0763765 2.0103218 -0.0351372 0.0485307 -0.0751652 1.7040070 30 Zn 1.8195035 0.0837237 -0.0682892 0.0763765 2.0103218 -0.0351372 -0.0485307 -0.0751652 1.7040070 31 Zn 1.8195035 -0.0837237 -0.0682892 -0.0763765 2.0103218 0.0351372 -0.0485307 0.0751652 1.7040070 32 Zn 1.8195035 0.0837237 0.0682892 0.0763765 2.0103218 0.0351372 0.0485307 0.0751652 1.7040070 33 O -1.5062704 -0.0166112 0.1734256 -0.0088651 -2.1780482 0.1573504 0.1825182 0.2064056 -1.9790025 34 O -1.7784278 -0.0681906 -0.2138500 -0.1132572 -1.9177913 -0.1773032 -0.1737702 -0.1272864 -1.9795758 35 O -1.7282028 0.1054451 0.2044296 0.1213630 -1.8538489 -0.1602486 0.1803060 -0.1162110 -2.0493884 36 O -2.2674506 -0.0907282 -0.4056301 0.0355577 -1.7169550 -0.2882573 -0.4003127 -0.3975157 -1.8626832 37 O -2.2674506 -0.0907282 0.4056301 0.0355577 -1.7169550 0.2882573 0.4003127 0.3975157 -1.8626832 38 O -1.7282028 0.1054451 -0.2044296 0.1213630 -1.8538489 0.1602486 -0.1803060 0.1162110 -2.0493884 39 O -2.2455277 -0.1434283 0.1328804 -0.1885707 -1.6746098 0.0446193 0.1140249 0.0278212 -1.7571436 40 O -1.5062704 0.0166112 0.1734256 0.0088651 -2.1780482 -0.1573504 0.1825182 -0.2064056 -1.9790025 41 O -1.7784278 -0.0681906 0.2138500 -0.1132572 -1.9177913 0.1773032 0.1737702 0.1272864 -1.9795758 42 O -2.2455277 0.1434283 -0.1328804 0.1885707 -1.6746098 0.0446193 -0.1140249 0.0278212 -1.7571436 43 O -1.5062704 -0.0166112 -0.1734256 -0.0088651 -2.1780482 -0.1573504 -0.1825182 -0.2064056 -1.9790025 44 O -1.5885450 -0.0441645 0.1939800 -0.0233451 -2.0779691 -0.1725926 0.2021515 -0.0753817 -1.9635507 45 O -2.2455277 -0.1434283 -0.1328804 -0.1885707 -1.6746098 -0.0446193 -0.1140249 -0.0278212 -1.7571436 46 O -2.4096710 -0.1175447 -0.0009712 -0.0866698 -1.6579380 -0.0218589 0.0038435 0.0029535 -1.6512267 47 O -2.1251058 -0.1553667 -0.0024331 -0.1734427 -1.8451191 -0.1168447 -0.0149171 -0.0860398 -1.7967890 48 O -2.1251058 -0.1553667 0.0024331 -0.1734427 -1.8451191 0.1168447 0.0149171 0.0860398 -1.7967890 49 O -1.5885450 -0.0441645 -0.1939800 -0.0233451 -2.0779691 0.1725926 -0.2021515 0.0753817 -1.9635507 50 O -1.8216172 0.0427514 -0.0231064 0.0393876 -2.1446899 0.0254734 -0.0241890 0.0351285 -1.9444187 51 O -1.5885450 0.0441645 -0.1939800 0.0233451 -2.0779691 -0.1725926 -0.2021515 -0.0753817 -1.9635507 52 O -1.5885450 0.0441645 0.1939800 0.0233451 -2.0779691 0.1725926 0.2021515 0.0753817 -1.9635507 53 O -1.3702810 0.1445452 -0.0480472 0.0973950 -2.1541248 -0.0853844 -0.0571485 -0.0417426 -2.1547961 54 O -2.4096710 -0.1175447 0.0009712 -0.0866698 -1.6579380 0.0218589 -0.0038435 -0.0029535 -1.6512267 55 O -2.1251058 0.1553667 -0.0024331 0.1734427 -1.8451191 0.1168447 -0.0149171 0.0860398 -1.7967890 56 O -2.2674506 0.0907282 0.4056301 -0.0355577 -1.7169550 -0.2882573 0.4003127 -0.3975157 -1.8626832 57 O -2.4096710 0.1175447 -0.0009712 0.0866698 -1.6579380 0.0218589 0.0038435 -0.0029535 -1.6512267 58 O -2.2455277 0.1434283 0.1328804 0.1885707 -1.6746098 -0.0446193 0.1140249 -0.0278212 -1.7571436 59 O -1.3702810 -0.1445452 0.0480472 -0.0973950 -2.1541248 -0.0853844 0.0571485 -0.0417426 -2.1547961 60 O -1.5062704 0.0166112 -0.1734256 0.0088651 -2.1780482 0.1573504 -0.1825182 0.2064056 -1.9790025 61 O -2.4096710 0.1175447 0.0009712 0.0866698 -1.6579380 -0.0218589 -0.0038435 0.0029535 -1.6512267 62 O -1.7282028 -0.1054451 0.2044296 -0.1213630 -1.8538489 0.1602486 0.1803060 0.1162110 -2.0493884 63 O -1.8216172 0.0427514 0.0231064 0.0393876 -2.1446899 -0.0254734 0.0241890 -0.0351285 -1.9444187 64 O -1.3702810 0.1445452 0.0480472 0.0973950 -2.1541248 0.0853844 0.0571485 0.0417426 -2.1547961 65 O -1.8216172 -0.0427514 -0.0231064 -0.0393876 -2.1446899 -0.0254734 -0.0241890 -0.0351285 -1.9444187 66 O -1.7282028 -0.1054451 -0.2044296 -0.1213630 -1.8538489 -0.1602486 -0.1803060 -0.1162110 -2.0493884 67 O -1.7784278 0.0681906 0.2138500 0.1132572 -1.9177913 -0.1773032 0.1737702 -0.1272864 -1.9795758 68 O -2.1251058 0.1553667 0.0024331 0.1734427 -1.8451191 -0.1168447 0.0149171 -0.0860398 -1.7967890 69 O -1.3702810 -0.1445452 -0.0480472 -0.0973950 -2.1541248 0.0853844 -0.0571485 0.0417426 -2.1547961 70 O -2.2674506 0.0907282 -0.4056301 -0.0355577 -1.7169550 0.2882573 -0.4003127 0.3975157 -1.8626832 71 O -1.7784278 0.0681906 -0.2138500 0.1132572 -1.9177913 0.1773032 -0.1737702 0.1272864 -1.9795758 72 O -1.8216172 -0.0427514 0.0231064 -0.0393876 -2.1446899 0.0254734 0.0241890 0.0351285 -1.9444187 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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[ 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[ 67, 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] Computing fc3[ 71, 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[ 77, 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[ 87, 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[ 91, 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[ 93, 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[ 99, 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[ 105, 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: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:59:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:59:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 16.758010689999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.117424279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.657414349999998 Atomic positions (fractional): 1 Ca 0.39370009448028 0.28548335420118 0.07863101896449 40.078 2 Ca 0.89370009448028 0.71451664579882 0.07863101896449 40.078 3 Ca 0.61039821094282 0.71329616708396 0.93014905936059 40.078 4 Ca 0.79103087135478 0.73236108601224 0.73908744343999 40.078 5 Ca 0.11039821094282 0.28670383291604 0.93014905936059 40.078 6 Ca 0.10629990551972 0.28548335420118 0.57863101896449 40.078 7 Ca 0.38960178905718 0.28670383291604 0.43014905936059 40.078 8 Ca 0.70896912864522 0.73236108601224 0.23908744343999 40.078 9 Ca 0.60629990551972 0.71451664579882 0.57863101896449 40.078 10 Ca 0.29103087135478 0.26763891398776 0.73908744343999 40.078 11 Ca 0.20896912864522 0.26763891398776 0.23908744343999 40.078 12 Ca 0.88960178905718 0.71329616708396 0.43014905936059 40.078 13 Al 0.25195824035432 0.79204176436563 0.99888991002425 26.982 14 Al 0.46952340005506 0.36114514115237 0.75293731499989 26.982 15 Al 0.24804175964568 0.79204176436563 0.49888991002425 26.982 16 Al 0.53047659994494 0.63885485884763 0.25293731499989 26.982 17 Al 0.83567267197064 0.26800499452212 0.24971757851234 26.982 18 Al 0.03047659994494 0.36114514115237 0.25293731499989 26.982 19 Al 0.75195824035432 0.20795823563437 0.99888991002425 26.982 20 Al 0.66432732802936 0.26800499452212 0.74971757851234 26.982 21 Al 0.74804175964568 0.20795823563437 0.49888991002425 26.982 22 Al 0.92468373476575 0.13841819109779 0.89962923391790 26.982 23 Al 0.42468373476575 0.86158180890221 0.89962923391790 26.982 24 Al 0.16432732802936 0.73199500547788 0.74971757851234 26.982 25 Al 0.07531626523425 0.86158180890221 0.39962923391790 26.982 26 Al 0.96952340005506 0.63885485884763 0.75293731499989 26.982 27 Al 0.57531626523425 0.13841819109779 0.39962923391790 26.982 28 Al 0.33567267197064 0.73199500547788 0.24971757851234 26.982 29 Zn 0.07979302835958 0.84671692860310 0.09995021846098 65.380 30 Zn 0.42020697164042 0.84671692860310 0.59995021846098 65.380 31 Zn 0.92020697164042 0.15328307139690 0.59995021846098 65.380 32 Zn 0.57979302835958 0.15328307139690 0.09995021846098 65.380 33 O 0.92715259015303 0.48138589511761 0.88766784182427 15.999 34 O 0.78824416597617 0.41890548407066 0.11853219960355 15.999 35 O 0.28581399547531 0.58520174246050 0.37909661107126 15.999 36 O 0.49561695946001 0.98846066374454 0.00301680264847 15.999 37 O 0.50438304053999 0.01153933625546 0.50301680264847 15.999 38 O 0.71418600452469 0.41479825753950 0.87909661107126 15.999 39 O 0.33018134094776 0.99041783434454 0.93993926485419 15.999 40 O 0.42715259015303 0.51861410488239 0.88766784182427 15.999 41 O 0.21175583402383 0.58109451592934 0.61853219960355 15.999 42 O 0.16981865905224 0.99041783434454 0.43993926485419 15.999 43 O 0.07284740984697 0.51861410488239 0.38766784182427 15.999 44 O 0.58741929270423 0.52046089800537 0.12526063796752 15.999 45 O 0.66981865905224 0.00958216565547 0.43993926485419 15.999 46 O 0.07121290975576 0.56461484906871 0.74998695262367 15.999 47 O 0.31888575075814 0.01294335706225 0.55835314768929 15.999 48 O 0.68111424924186 0.98705664293775 0.05835314768929 15.999 49 O 0.41258070729577 0.47953910199463 0.62526063796752 15.999 50 O 0.33385860961078 0.07089656165273 0.24964997638640 15.999 51 O 0.91258070729577 0.52046089800537 0.62526063796752 15.999 52 O 0.08741929270423 0.47953910199463 0.12526063796752 15.999 53 O 0.94377153842795 0.97260265496864 0.75850473765095 15.999 54 O 0.92878709024424 0.43538515093129 0.24998695262367 15.999 55 O 0.81888575075814 0.98705664293775 0.55835314768929 15.999 56 O 0.00438304053999 0.98846066374454 0.50301680264847 15.999 57 O 0.57121290975576 0.43538515093129 0.74998695262367 15.999 58 O 0.83018134094776 0.00958216565547 0.93993926485419 15.999 59 O 0.55622846157205 0.97260265496864 0.25850473765095 15.999 60 O 0.57284740984697 0.48138589511761 0.38766784182427 15.999 61 O 0.42878709024424 0.56461484906871 0.24998695262367 15.999 62 O 0.78581399547531 0.41479825753950 0.37909661107126 15.999 63 O 0.66614139038923 0.92910343834727 0.74964997638640 15.999 64 O 0.05622846157205 0.02739734503136 0.25850473765095 15.999 65 O 0.83385860961077 0.92910343834727 0.24964997638640 15.999 66 O 0.21418600452469 0.58520174246050 0.87909661107126 15.999 67 O 0.71175583402383 0.41890548407066 0.61853219960355 15.999 68 O 0.18111424924186 0.01294335706225 0.05835314768929 15.999 69 O 0.44377153842795 0.02739734503136 0.75850473765095 15.999 70 O 0.99561695946001 0.01153933625546 0.00301680264847 15.999 71 O 0.28824416597617 0.58109451592934 0.11853219960355 15.999 72 O 0.16614139038923 0.07089656165273 0.74964997638640 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.758010689999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.234848559999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.657414349999998 Atomic positions (fractional): 1 Ca 0.39370009448028 0.14274167710059 0.07863101896449 40.078 > 1 2 Ca 0.39370009448028 0.64274167710059 0.07863101896449 40.078 > 1 3 Ca 0.89370009448028 0.35725832289941 0.07863101896449 40.078 > 3 4 Ca 0.89370009448028 0.85725832289941 0.07863101896449 40.078 > 3 5 Ca 0.61039821094282 0.35664808354198 0.93014905936059 40.078 > 5 6 Ca 0.61039821094282 0.85664808354198 0.93014905936059 40.078 > 5 7 Ca 0.79103087135478 0.36618054300612 0.73908744343999 40.078 > 7 8 Ca 0.79103087135478 0.86618054300612 0.73908744343999 40.078 > 7 9 Ca 0.11039821094282 0.14335191645802 0.93014905936059 40.078 > 9 10 Ca 0.11039821094282 0.64335191645802 0.93014905936059 40.078 > 9 11 Ca 0.10629990551972 0.14274167710059 0.57863101896449 40.078 > 11 12 Ca 0.10629990551972 0.64274167710059 0.57863101896449 40.078 > 11 13 Ca 0.38960178905718 0.14335191645802 0.43014905936059 40.078 > 13 14 Ca 0.38960178905718 0.64335191645802 0.43014905936059 40.078 > 13 15 Ca 0.70896912864522 0.36618054300612 0.23908744343999 40.078 > 15 16 Ca 0.70896912864522 0.86618054300612 0.23908744343999 40.078 > 15 17 Ca 0.60629990551972 0.35725832289941 0.57863101896449 40.078 > 17 18 Ca 0.60629990551972 0.85725832289941 0.57863101896449 40.078 > 17 19 Ca 0.29103087135478 0.13381945699388 0.73908744343999 40.078 > 19 20 Ca 0.29103087135478 0.63381945699388 0.73908744343999 40.078 > 19 21 Ca 0.20896912864522 0.13381945699388 0.23908744343999 40.078 > 21 22 Ca 0.20896912864522 0.63381945699388 0.23908744343999 40.078 > 21 23 Ca 0.88960178905718 0.35664808354198 0.43014905936059 40.078 > 23 24 Ca 0.88960178905718 0.85664808354198 0.43014905936059 40.078 > 23 25 Al 0.25195824035432 0.39602088218282 0.99888991002425 26.982 > 25 26 Al 0.25195824035432 0.89602088218282 0.99888991002425 26.982 > 25 27 Al 0.46952340005506 0.18057257057618 0.75293731499989 26.982 > 27 28 Al 0.46952340005506 0.68057257057618 0.75293731499989 26.982 > 27 29 Al 0.24804175964568 0.39602088218282 0.49888991002425 26.982 > 29 30 Al 0.24804175964568 0.89602088218282 0.49888991002425 26.982 > 29 31 Al 0.53047659994494 0.31942742942382 0.25293731499989 26.982 > 31 32 Al 0.53047659994494 0.81942742942382 0.25293731499989 26.982 > 31 33 Al 0.83567267197064 0.13400249726106 0.24971757851234 26.982 > 33 34 Al 0.83567267197064 0.63400249726106 0.24971757851234 26.982 > 33 35 Al 0.03047659994494 0.18057257057618 0.25293731499989 26.982 > 35 36 Al 0.03047659994494 0.68057257057618 0.25293731499989 26.982 > 35 37 Al 0.75195824035432 0.10397911781718 0.99888991002425 26.982 > 37 38 Al 0.75195824035432 0.60397911781718 0.99888991002425 26.982 > 37 39 Al 0.66432732802936 0.13400249726106 0.74971757851234 26.982 > 39 40 Al 0.66432732802936 0.63400249726106 0.74971757851234 26.982 > 39 41 Al 0.74804175964568 0.10397911781718 0.49888991002425 26.982 > 41 42 Al 0.74804175964568 0.60397911781718 0.49888991002425 26.982 > 41 43 Al 0.92468373476575 0.06920909554889 0.89962923391790 26.982 > 43 44 Al 0.92468373476575 0.56920909554889 0.89962923391790 26.982 > 43 45 Al 0.42468373476575 0.43079090445111 0.89962923391790 26.982 > 45 46 Al 0.42468373476575 0.93079090445111 0.89962923391790 26.982 > 45 47 Al 0.16432732802936 0.36599750273894 0.74971757851234 26.982 > 47 48 Al 0.16432732802936 0.86599750273894 0.74971757851234 26.982 > 47 49 Al 0.07531626523425 0.43079090445111 0.39962923391790 26.982 > 49 50 Al 0.07531626523425 0.93079090445111 0.39962923391790 26.982 > 49 51 Al 0.96952340005506 0.31942742942382 0.75293731499989 26.982 > 51 52 Al 0.96952340005506 0.81942742942382 0.75293731499989 26.982 > 51 53 Al 0.57531626523425 0.06920909554889 0.39962923391790 26.982 > 53 54 Al 0.57531626523425 0.56920909554889 0.39962923391790 26.982 > 53 55 Al 0.33567267197064 0.36599750273894 0.24971757851234 26.982 > 55 56 Al 0.33567267197064 0.86599750273894 0.24971757851234 26.982 > 55 57 Zn 0.07979302835958 0.42335846430155 0.09995021846098 65.380 > 57 58 Zn 0.07979302835958 0.92335846430155 0.09995021846098 65.380 > 57 59 Zn 0.42020697164042 0.42335846430155 0.59995021846098 65.380 > 59 60 Zn 0.42020697164042 0.92335846430155 0.59995021846098 65.380 > 59 61 Zn 0.92020697164042 0.07664153569845 0.59995021846098 65.380 > 61 62 Zn 0.92020697164042 0.57664153569845 0.59995021846098 65.380 > 61 63 Zn 0.57979302835958 0.07664153569845 0.09995021846098 65.380 > 63 64 Zn 0.57979302835958 0.57664153569845 0.09995021846098 65.380 > 63 65 O 0.92715259015303 0.24069294755881 0.88766784182427 15.999 > 65 66 O 0.92715259015303 0.74069294755881 0.88766784182427 15.999 > 65 67 O 0.78824416597617 0.20945274203533 0.11853219960355 15.999 > 67 68 O 0.78824416597617 0.70945274203533 0.11853219960355 15.999 > 67 69 O 0.28581399547531 0.29260087123025 0.37909661107126 15.999 > 69 70 O 0.28581399547531 0.79260087123025 0.37909661107126 15.999 > 69 71 O 0.49561695946001 0.49423033187227 0.00301680264847 15.999 > 71 72 O 0.49561695946001 0.99423033187227 0.00301680264847 15.999 > 71 73 O 0.50438304053999 0.00576966812773 0.50301680264847 15.999 > 73 74 O 0.50438304053999 0.50576966812773 0.50301680264847 15.999 > 73 75 O 0.71418600452469 0.20739912876975 0.87909661107126 15.999 > 75 76 O 0.71418600452469 0.70739912876975 0.87909661107126 15.999 > 75 77 O 0.33018134094776 0.49520891717227 0.93993926485419 15.999 > 77 78 O 0.33018134094776 0.99520891717227 0.93993926485419 15.999 > 77 79 O 0.42715259015303 0.25930705244119 0.88766784182427 15.999 > 79 80 O 0.42715259015303 0.75930705244119 0.88766784182427 15.999 > 79 81 O 0.21175583402383 0.29054725796467 0.61853219960355 15.999 > 81 82 O 0.21175583402383 0.79054725796467 0.61853219960355 15.999 > 81 83 O 0.16981865905224 0.49520891717227 0.43993926485419 15.999 > 83 84 O 0.16981865905224 0.99520891717227 0.43993926485419 15.999 > 83 85 O 0.07284740984697 0.25930705244119 0.38766784182427 15.999 > 85 86 O 0.07284740984697 0.75930705244119 0.38766784182427 15.999 > 85 87 O 0.58741929270423 0.26023044900268 0.12526063796752 15.999 > 87 88 O 0.58741929270423 0.76023044900268 0.12526063796752 15.999 > 87 89 O 0.66981865905224 0.00479108282773 0.43993926485419 15.999 > 89 90 O 0.66981865905224 0.50479108282773 0.43993926485419 15.999 > 89 91 O 0.07121290975576 0.28230742453436 0.74998695262367 15.999 > 91 92 O 0.07121290975576 0.78230742453436 0.74998695262367 15.999 > 91 93 O 0.31888575075814 0.00647167853112 0.55835314768929 15.999 > 93 94 O 0.31888575075814 0.50647167853112 0.55835314768929 15.999 > 93 95 O 0.68111424924186 0.49352832146888 0.05835314768929 15.999 > 95 96 O 0.68111424924186 0.99352832146888 0.05835314768929 15.999 > 95 97 O 0.41258070729577 0.23976955099732 0.62526063796752 15.999 > 97 98 O 0.41258070729577 0.73976955099732 0.62526063796752 15.999 > 97 99 O 0.33385860961078 0.03544828082637 0.24964997638640 15.999 > 99 100 O 0.33385860961078 0.53544828082637 0.24964997638640 15.999 > 99 101 O 0.91258070729577 0.26023044900268 0.62526063796752 15.999 > 101 102 O 0.91258070729577 0.76023044900268 0.62526063796752 15.999 > 101 103 O 0.08741929270423 0.23976955099732 0.12526063796752 15.999 > 103 104 O 0.08741929270423 0.73976955099732 0.12526063796752 15.999 > 103 105 O 0.94377153842795 0.48630132748432 0.75850473765095 15.999 > 105 106 O 0.94377153842795 0.98630132748432 0.75850473765095 15.999 > 105 107 O 0.92878709024424 0.21769257546564 0.24998695262367 15.999 > 107 108 O 0.92878709024424 0.71769257546564 0.24998695262367 15.999 > 107 109 O 0.81888575075814 0.49352832146888 0.55835314768929 15.999 > 109 110 O 0.81888575075814 0.99352832146888 0.55835314768929 15.999 > 109 111 O 0.00438304053999 0.49423033187227 0.50301680264847 15.999 > 111 112 O 0.00438304053999 0.99423033187227 0.50301680264847 15.999 > 111 113 O 0.57121290975576 0.21769257546564 0.74998695262367 15.999 > 113 114 O 0.57121290975576 0.71769257546564 0.74998695262367 15.999 > 113 115 O 0.83018134094776 0.00479108282773 0.93993926485419 15.999 > 115 116 O 0.83018134094776 0.50479108282773 0.93993926485419 15.999 > 115 117 O 0.55622846157205 0.48630132748432 0.25850473765095 15.999 > 117 118 O 0.55622846157205 0.98630132748432 0.25850473765095 15.999 > 117 119 O 0.57284740984697 0.24069294755881 0.38766784182427 15.999 > 119 120 O 0.57284740984697 0.74069294755881 0.38766784182427 15.999 > 119 121 O 0.42878709024424 0.28230742453436 0.24998695262367 15.999 > 121 122 O 0.42878709024424 0.78230742453436 0.24998695262367 15.999 > 121 123 O 0.78581399547531 0.20739912876975 0.37909661107126 15.999 > 123 124 O 0.78581399547531 0.70739912876975 0.37909661107126 15.999 > 123 125 O 0.66614139038923 0.46455171917363 0.74964997638640 15.999 > 125 126 O 0.66614139038923 0.96455171917363 0.74964997638640 15.999 > 125 127 O 0.05622846157205 0.01369867251568 0.25850473765095 15.999 > 127 128 O 0.05622846157205 0.51369867251568 0.25850473765095 15.999 > 127 129 O 0.83385860961077 0.46455171917363 0.24964997638640 15.999 > 129 130 O 0.83385860961077 0.96455171917363 0.24964997638640 15.999 > 129 131 O 0.21418600452469 0.29260087123025 0.87909661107126 15.999 > 131 132 O 0.21418600452469 0.79260087123025 0.87909661107126 15.999 > 131 133 O 0.71175583402383 0.20945274203533 0.61853219960355 15.999 > 133 134 O 0.71175583402383 0.70945274203533 0.61853219960355 15.999 > 133 135 O 0.18111424924186 0.00647167853112 0.05835314768929 15.999 > 135 136 O 0.18111424924186 0.50647167853112 0.05835314768929 15.999 > 135 137 O 0.44377153842795 0.01369867251568 0.75850473765095 15.999 > 137 138 O 0.44377153842795 0.51369867251568 0.75850473765095 15.999 > 137 139 O 0.99561695946001 0.00576966812773 0.00301680264847 15.999 > 139 140 O 0.99561695946001 0.50576966812773 0.00301680264847 15.999 > 139 141 O 0.28824416597617 0.29054725796467 0.11853219960355 15.999 > 141 142 O 0.28824416597617 0.79054725796467 0.11853219960355 15.999 > 141 143 O 0.16614139038923 0.03544828082637 0.74964997638640 15.999 > 143 144 O 0.16614139038923 0.53544828082637 0.74964997638640 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1735688 0.0000000 0.0000000 0.0000000 3.1936381 0.0000000 0.0000000 0.0000000 3.1729988 -------------------------- Born effective charges -------------------------- 1 Ca 2.2997512 -0.0538258 -0.2354161 -0.0644297 2.3998805 0.1278121 -0.2136686 0.1505615 2.5011942 2 Ca 2.2997512 0.0538258 -0.2354161 0.0644297 2.3998805 -0.1278121 -0.2136686 -0.1505615 2.5011942 3 Ca 2.1913363 0.0022985 -0.1782977 -0.0310826 2.3445991 0.0853948 -0.1450044 0.1472770 2.6363306 4 Ca 2.6831889 0.0861914 -0.1463897 -0.0185382 2.3218721 -0.0184044 -0.1016538 -0.0254871 2.2935075 5 Ca 2.1913363 -0.0022985 -0.1782977 0.0310826 2.3445991 -0.0853948 -0.1450044 -0.1472770 2.6363306 6 Ca 2.2997512 0.0538258 0.2354161 0.0644297 2.3998805 0.1278121 0.2136686 0.1505615 2.5011942 7 Ca 2.1913363 0.0022985 0.1782977 -0.0310826 2.3445991 -0.0853948 0.1450044 -0.1472770 2.6363306 8 Ca 2.6831889 -0.0861914 0.1463897 0.0185382 2.3218721 -0.0184044 0.1016538 -0.0254871 2.2935075 9 Ca 2.2997512 -0.0538258 0.2354161 -0.0644297 2.3998805 -0.1278121 0.2136686 -0.1505615 2.5011942 10 Ca 2.6831889 -0.0861914 -0.1463897 0.0185382 2.3218721 0.0184044 -0.1016538 0.0254871 2.2935075 11 Ca 2.6831889 0.0861914 0.1463897 -0.0185382 2.3218721 0.0184044 0.1016538 0.0254871 2.2935075 12 Ca 2.1913363 -0.0022985 0.1782977 0.0310826 2.3445991 0.0853948 0.1450044 0.1472770 2.6363306 13 Al 2.7132617 -0.0571662 0.0560672 -0.0068781 2.4259893 -0.0056674 0.1114058 0.0292094 2.5926357 14 Al 2.4541434 0.0304995 0.0472912 -0.1205970 2.6289445 -0.0448114 0.0583651 0.0988212 2.5482206 15 Al 2.7132617 0.0571662 -0.0560672 0.0068781 2.4259893 -0.0056674 -0.1114058 0.0292094 2.5926357 16 Al 2.4541434 0.0304995 -0.0472912 -0.1205970 2.6289445 0.0448114 -0.0583651 -0.0988212 2.5482206 17 Al 2.3048387 0.1590884 0.0112318 0.1299376 2.5714598 -0.0154619 -0.0294811 0.0155836 2.3994932 18 Al 2.4541434 -0.0304995 -0.0472912 0.1205970 2.6289445 -0.0448114 -0.0583651 0.0988212 2.5482206 19 Al 2.7132617 0.0571662 0.0560672 0.0068781 2.4259893 0.0056674 0.1114058 -0.0292094 2.5926357 20 Al 2.3048387 -0.1590884 -0.0112318 -0.1299376 2.5714598 -0.0154619 0.0294811 0.0155836 2.3994932 21 Al 2.7132617 -0.0571662 -0.0560672 -0.0068781 2.4259893 0.0056674 -0.1114058 -0.0292094 2.5926357 22 Al 2.3750756 -0.0262453 0.1280477 -0.0649028 2.5180270 -0.0296275 0.0261203 -0.0436386 2.4631861 23 Al 2.3750756 0.0262453 0.1280477 0.0649028 2.5180270 0.0296275 0.0261203 0.0436386 2.4631861 24 Al 2.3048387 0.1590884 -0.0112318 0.1299376 2.5714598 0.0154619 0.0294811 -0.0155836 2.3994932 25 Al 2.3750756 -0.0262453 -0.1280477 -0.0649028 2.5180270 0.0296275 -0.0261203 0.0436386 2.4631861 26 Al 2.4541434 -0.0304995 0.0472912 0.1205970 2.6289445 0.0448114 0.0583651 -0.0988212 2.5482206 27 Al 2.3750756 0.0262453 -0.1280477 0.0649028 2.5180270 -0.0296275 -0.0261203 -0.0436386 2.4631861 28 Al 2.3048387 -0.1590884 0.0112318 -0.1299376 2.5714598 0.0154619 -0.0294811 -0.0155836 2.3994932 29 Zn 1.8195035 -0.0837237 0.0682892 -0.0763765 2.0103218 -0.0351372 0.0485307 -0.0751652 1.7040070 30 Zn 1.8195035 0.0837237 -0.0682892 0.0763765 2.0103218 -0.0351372 -0.0485307 -0.0751652 1.7040070 31 Zn 1.8195035 -0.0837237 -0.0682892 -0.0763765 2.0103218 0.0351372 -0.0485307 0.0751652 1.7040070 32 Zn 1.8195035 0.0837237 0.0682892 0.0763765 2.0103218 0.0351372 0.0485307 0.0751652 1.7040070 33 O -1.5062704 -0.0166112 0.1734256 -0.0088651 -2.1780482 0.1573504 0.1825182 0.2064056 -1.9790025 34 O -1.7784278 -0.0681906 -0.2138500 -0.1132572 -1.9177913 -0.1773032 -0.1737702 -0.1272864 -1.9795758 35 O -1.7282028 0.1054451 0.2044296 0.1213630 -1.8538489 -0.1602486 0.1803060 -0.1162110 -2.0493884 36 O -2.2674506 -0.0907282 -0.4056301 0.0355577 -1.7169550 -0.2882573 -0.4003127 -0.3975157 -1.8626832 37 O -2.2674506 -0.0907282 0.4056301 0.0355577 -1.7169550 0.2882573 0.4003127 0.3975157 -1.8626832 38 O -1.7282028 0.1054451 -0.2044296 0.1213630 -1.8538489 0.1602486 -0.1803060 0.1162110 -2.0493884 39 O -2.2455277 -0.1434283 0.1328804 -0.1885707 -1.6746098 0.0446193 0.1140249 0.0278212 -1.7571436 40 O -1.5062704 0.0166112 0.1734256 0.0088651 -2.1780482 -0.1573504 0.1825182 -0.2064056 -1.9790025 41 O -1.7784278 -0.0681906 0.2138500 -0.1132572 -1.9177913 0.1773032 0.1737702 0.1272864 -1.9795758 42 O -2.2455277 0.1434283 -0.1328804 0.1885707 -1.6746098 0.0446193 -0.1140249 0.0278212 -1.7571436 43 O -1.5062704 -0.0166112 -0.1734256 -0.0088651 -2.1780482 -0.1573504 -0.1825182 -0.2064056 -1.9790025 44 O -1.5885450 -0.0441645 0.1939800 -0.0233451 -2.0779691 -0.1725926 0.2021515 -0.0753817 -1.9635507 45 O -2.2455277 -0.1434283 -0.1328804 -0.1885707 -1.6746098 -0.0446193 -0.1140249 -0.0278212 -1.7571436 46 O -2.4096710 -0.1175447 -0.0009712 -0.0866698 -1.6579380 -0.0218589 0.0038435 0.0029535 -1.6512267 47 O -2.1251058 -0.1553667 -0.0024331 -0.1734427 -1.8451191 -0.1168447 -0.0149171 -0.0860398 -1.7967890 48 O -2.1251058 -0.1553667 0.0024331 -0.1734427 -1.8451191 0.1168447 0.0149171 0.0860398 -1.7967890 49 O -1.5885450 -0.0441645 -0.1939800 -0.0233451 -2.0779691 0.1725926 -0.2021515 0.0753817 -1.9635507 50 O -1.8216172 0.0427514 -0.0231064 0.0393876 -2.1446899 0.0254734 -0.0241890 0.0351285 -1.9444187 51 O -1.5885450 0.0441645 -0.1939800 0.0233451 -2.0779691 -0.1725926 -0.2021515 -0.0753817 -1.9635507 52 O -1.5885450 0.0441645 0.1939800 0.0233451 -2.0779691 0.1725926 0.2021515 0.0753817 -1.9635507 53 O -1.3702810 0.1445452 -0.0480472 0.0973950 -2.1541248 -0.0853844 -0.0571485 -0.0417426 -2.1547961 54 O -2.4096710 -0.1175447 0.0009712 -0.0866698 -1.6579380 0.0218589 -0.0038435 -0.0029535 -1.6512267 55 O -2.1251058 0.1553667 -0.0024331 0.1734427 -1.8451191 0.1168447 -0.0149171 0.0860398 -1.7967890 56 O -2.2674506 0.0907282 0.4056301 -0.0355577 -1.7169550 -0.2882573 0.4003127 -0.3975157 -1.8626832 57 O -2.4096710 0.1175447 -0.0009712 0.0866698 -1.6579380 0.0218589 0.0038435 -0.0029535 -1.6512267 58 O -2.2455277 0.1434283 0.1328804 0.1885707 -1.6746098 -0.0446193 0.1140249 -0.0278212 -1.7571436 59 O -1.3702810 -0.1445452 0.0480472 -0.0973950 -2.1541248 -0.0853844 0.0571485 -0.0417426 -2.1547961 60 O -1.5062704 0.0166112 -0.1734256 0.0088651 -2.1780482 0.1573504 -0.1825182 0.2064056 -1.9790025 61 O -2.4096710 0.1175447 0.0009712 0.0866698 -1.6579380 -0.0218589 -0.0038435 0.0029535 -1.6512267 62 O -1.7282028 -0.1054451 0.2044296 -0.1213630 -1.8538489 0.1602486 0.1803060 0.1162110 -2.0493884 63 O -1.8216172 0.0427514 0.0231064 0.0393876 -2.1446899 -0.0254734 0.0241890 -0.0351285 -1.9444187 64 O -1.3702810 0.1445452 0.0480472 0.0973950 -2.1541248 0.0853844 0.0571485 0.0417426 -2.1547961 65 O -1.8216172 -0.0427514 -0.0231064 -0.0393876 -2.1446899 -0.0254734 -0.0241890 -0.0351285 -1.9444187 66 O -1.7282028 -0.1054451 -0.2044296 -0.1213630 -1.8538489 -0.1602486 -0.1803060 -0.1162110 -2.0493884 67 O -1.7784278 0.0681906 0.2138500 0.1132572 -1.9177913 -0.1773032 0.1737702 -0.1272864 -1.9795758 68 O -2.1251058 0.1553667 0.0024331 0.1734427 -1.8451191 -0.1168447 0.0149171 -0.0860398 -1.7967890 69 O -1.3702810 -0.1445452 -0.0480472 -0.0973950 -2.1541248 0.0853844 -0.0571485 0.0417426 -2.1547961 70 O -2.2674506 0.0907282 -0.4056301 -0.0355577 -1.7169550 0.2882573 -0.4003127 0.3975157 -1.8626832 71 O -1.7784278 0.0681906 -0.2138500 0.1132572 -1.9177913 0.1773032 -0.1737702 0.1272864 -1.9795758 72 O -1.8216172 -0.0427514 0.0231064 -0.0393876 -2.1446899 0.0254734 0.0241890 0.0351285 -1.9444187 ---------------------------------------------------------------------------- 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 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 3 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 36 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 1.800 ( 0.000 0.000 -0.000) 0.000 1.811 ( 0.000 0.000 -0.000) 0.000 2.036 ( 0.000 0.000 -0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 -0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 -0.000) 0.000 4.637 ( 0.000 0.000 -0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 -0.000) 0.000 5.430 ( 0.000 0.000 -0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.951 ( 0.000 0.000 -0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 -0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 -0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 -0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 -0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 -0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 -0.000) 0.000 7.606 ( 0.000 0.000 -0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 -0.000) 0.000 7.983 ( 0.000 0.000 -0.000) 0.000 7.995 ( 0.000 0.000 -0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 -0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.570 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.660 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 -0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.255 ( 0.000 0.000 -0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.545 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 9.703 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 -0.000) 0.000 9.853 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.393 ( 0.000 0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.776 ( 0.000 0.000 0.000) 0.000 11.076 ( 0.000 0.000 -0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.419 ( 0.000 0.000 0.000) 0.000 11.519 ( 0.000 0.000 -0.000) 0.000 11.532 ( 0.000 0.000 -0.000) 0.000 11.647 ( 0.000 0.000 -0.000) 0.000 11.730 ( 0.000 0.000 0.000) 0.000 11.786 ( 0.000 0.000 0.000) 0.000 11.838 ( 0.000 0.000 -0.000) 0.000 12.285 ( 0.000 0.000 -0.000) 0.000 12.334 ( 0.000 0.000 -0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.413 ( 0.000 0.000 0.000) 0.000 12.501 ( 0.000 0.000 0.000) 0.000 12.705 ( 0.000 0.000 -0.000) 0.000 13.116 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.227 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.444 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 -0.000) 0.000 13.787 ( 0.000 0.000 -0.000) 0.000 13.795 ( 0.000 0.000 -0.000) 0.000 14.003 ( 0.000 0.000 -0.000) 0.000 14.097 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.215 ( 0.000 0.000 -0.000) 0.000 14.366 ( 0.000 0.000 0.000) 0.000 14.511 ( 0.000 0.000 -0.000) 0.000 15.223 ( 0.000 0.000 -0.000) 0.000 15.360 ( 0.000 0.000 -0.000) 0.000 15.421 ( 0.000 0.000 0.000) 0.000 15.456 ( 0.000 0.000 0.000) 0.000 16.125 ( 0.000 0.000 0.000) 0.000 16.218 ( 0.000 0.000 0.000) 0.000 16.401 ( 0.000 0.000 -0.000) 0.000 16.572 ( 0.000 0.000 0.000) 0.000 16.917 ( 0.000 0.000 0.000) 0.000 17.049 ( 0.000 0.000 0.000) 0.000 17.328 ( 0.000 0.000 -0.000) 0.000 17.367 ( 0.000 0.000 0.000) 0.000 17.370 ( 0.000 0.000 0.000) 0.000 17.429 ( 0.000 0.000 0.000) 0.000 17.577 ( 0.000 0.000 -0.000) 0.000 18.035 ( 0.000 0.000 0.000) 0.000 18.150 ( 0.000 0.000 0.000) 0.000 18.327 ( 0.000 0.000 0.000) 0.000 18.773 ( 0.000 0.000 0.000) 0.000 18.799 ( 0.000 0.000 0.000) 0.000 18.873 ( 0.000 0.000 0.000) 0.000 18.987 ( 0.000 0.000 -0.000) 0.000 19.022 ( 0.000 0.000 -0.000) 0.000 19.040 ( 0.000 0.000 -0.000) 0.000 20.081 ( 0.000 0.000 0.000) 0.000 20.144 ( 0.000 0.000 -0.000) 0.000 20.368 ( 0.000 0.000 -0.000) 0.000 20.567 ( 0.000 0.000 0.000) 0.000 21.485 ( 0.000 0.000 0.000) 0.000 21.530 ( 0.000 0.000 0.000) 0.000 21.696 ( 0.000 0.000 0.000) 0.000 21.939 ( 0.000 0.000 0.000) 0.000 22.138 ( 0.000 0.000 0.000) 0.000 22.208 ( 0.000 0.000 0.000) 0.000 22.212 ( 0.000 0.000 0.000) 0.000 22.405 ( 0.000 0.000 -0.000) 0.000 22.790 ( 0.000 0.000 0.000) 0.000 22.828 ( 0.000 0.000 -0.000) 0.000 22.995 ( 0.000 0.000 0.000) 0.000 23.001 ( 0.000 0.000 0.000) 0.000 23.007 ( 0.000 0.000 -0.000) 0.000 23.025 ( 0.000 0.000 0.000) 0.000 23.176 ( 0.000 0.000 -0.000) 0.000 23.220 ( 0.000 0.000 0.000) 0.000 23.251 ( 0.000 0.000 0.000) 0.000 23.304 ( 0.000 0.000 -0.000) 0.000 23.382 ( 0.000 0.000 -0.000) 0.000 23.540 ( 0.000 0.000 -0.000) 0.000 23.678 ( 0.000 0.000 -0.000) 0.000 23.729 ( 0.000 0.000 -0.000) 0.000 23.819 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 23.985 ( 0.000 0.000 -0.000) 0.000 24.179 ( 0.000 0.000 -0.000) 0.000 24.545 ( 0.000 0.000 0.000) 0.000 24.556 ( 0.000 0.000 0.000) 0.000 24.617 ( 0.000 0.000 0.000) 0.000 24.767 ( 0.000 0.000 0.000) 0.000 24.822 ( 0.000 0.000 0.000) 0.000 25.000 ( 0.000 0.000 -0.000) 0.000 25.013 ( 0.000 0.000 0.000) 0.000 25.328 ( 0.000 0.000 0.000) 0.000 25.512 ( 0.000 0.000 -0.000) 0.000 25.558 ( 0.000 0.000 -0.000) 0.000 26.327 ( 0.000 0.000 -0.000) 0.000 26.673 ( 0.000 0.000 0.000) 0.000 26.679 ( 0.000 0.000 -0.000) 0.000 27.443 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 37.156 0.000 0.000) 37.156 0.800 ( 38.633 0.000 0.000) 38.633 1.447 ( -28.255 0.000 0.000) 28.255 1.487 ( -28.416 0.000 0.000) 28.416 1.538 ( 71.189 0.000 0.000) 71.189 2.072 ( 2.468 0.000 0.000) 2.468 2.184 ( -11.280 0.000 0.000) 11.280 2.353 ( 4.885 0.000 0.000) 4.885 2.470 ( -2.901 0.000 0.000) 2.901 2.714 ( -1.817 0.000 0.000) 1.817 2.933 ( -15.611 0.000 0.000) 15.611 3.034 ( 8.981 0.000 0.000) 8.981 3.047 ( 14.748 0.000 0.000) 14.748 3.052 ( -9.921 0.000 0.000) 9.921 3.146 ( -20.825 0.000 0.000) 20.825 3.397 ( -18.593 0.000 0.000) 18.593 3.477 ( 0.492 0.000 0.000) 0.492 3.499 ( 2.250 0.000 0.000) 2.250 3.611 ( 5.030 0.000 0.000) 5.030 3.807 ( -1.941 0.000 0.000) 1.941 3.824 ( 1.117 0.000 0.000) 1.117 3.916 ( 10.749 0.000 0.000) 10.749 3.952 ( -6.788 0.000 0.000) 6.788 4.023 ( -3.326 0.000 0.000) 3.326 4.035 ( -0.625 0.000 0.000) 0.625 4.068 ( -1.569 0.000 0.000) 1.569 4.145 ( -0.916 0.000 0.000) 0.916 4.215 ( -6.350 0.000 0.000) 6.350 4.284 ( 0.675 0.000 0.000) 0.675 4.385 ( -10.418 0.000 0.000) 10.418 4.637 ( 7.050 0.000 0.000) 7.050 4.727 ( -0.666 0.000 0.000) 0.666 4.732 ( 3.555 0.000 0.000) 3.555 4.818 ( 9.328 0.000 0.000) 9.328 4.835 ( -2.088 0.000 0.000) 2.088 4.891 ( -3.772 0.000 0.000) 3.772 4.915 ( 6.330 0.000 0.000) 6.330 4.991 ( 6.909 0.000 0.000) 6.909 5.008 ( -2.963 0.000 0.000) 2.963 5.077 ( -2.320 0.000 0.000) 2.320 5.120 ( 0.445 0.000 0.000) 0.445 5.213 ( -2.664 0.000 0.000) 2.664 5.263 ( 6.501 0.000 0.000) 6.501 5.408 ( -4.358 0.000 0.000) 4.358 5.429 ( 1.669 0.000 0.000) 1.669 5.519 ( 5.212 0.000 0.000) 5.212 5.525 ( -9.583 0.000 0.000) 9.583 5.576 ( -1.492 0.000 0.000) 1.492 5.775 ( -5.982 0.000 0.000) 5.982 5.807 ( -8.511 0.000 0.000) 8.511 5.863 ( 5.977 0.000 0.000) 5.977 5.901 ( 4.423 0.000 0.000) 4.423 5.917 ( 4.333 0.000 0.000) 4.333 5.978 ( -5.426 0.000 0.000) 5.426 6.060 ( 6.389 0.000 0.000) 6.389 6.165 ( 10.553 0.000 0.000) 10.553 6.177 ( -11.471 0.000 0.000) 11.471 6.251 ( 3.941 0.000 0.000) 3.941 6.304 ( 22.353 0.000 0.000) 22.353 6.420 ( -1.994 0.000 0.000) 1.994 6.508 ( 0.983 0.000 0.000) 0.983 6.548 ( 2.964 0.000 0.000) 2.964 6.594 ( 6.037 0.000 0.000) 6.037 6.709 ( -11.258 0.000 0.000) 11.258 6.769 ( -3.215 0.000 0.000) 3.215 6.799 ( -5.116 0.000 0.000) 5.116 6.902 ( -2.996 0.000 0.000) 2.996 6.938 ( -6.405 0.000 0.000) 6.405 7.108 ( 10.011 0.000 0.000) 10.011 7.192 ( 2.003 0.000 0.000) 2.003 7.279 ( -0.805 0.000 0.000) 0.805 7.325 ( 0.264 0.000 0.000) 0.264 7.430 ( -2.811 0.000 0.000) 2.811 7.436 ( -1.564 0.000 0.000) 1.564 7.489 ( 0.288 0.000 0.000) 0.288 7.534 ( -2.638 0.000 0.000) 2.638 7.610 ( -0.506 0.000 0.000) 0.506 7.639 ( -7.069 0.000 0.000) 7.069 7.832 ( 4.501 0.000 0.000) 4.501 7.909 ( 3.072 0.000 0.000) 3.072 7.932 ( -4.614 0.000 0.000) 4.614 7.983 ( -2.350 0.000 0.000) 2.350 8.010 ( 3.065 0.000 0.000) 3.065 8.073 ( 3.970 0.000 0.000) 3.970 8.089 ( -0.416 0.000 0.000) 0.416 8.151 ( -4.462 0.000 0.000) 4.462 8.224 ( 4.106 0.000 0.000) 4.106 8.335 ( 1.659 0.000 0.000) 1.659 8.364 ( -5.994 0.000 0.000) 5.994 8.422 ( -5.264 0.000 0.000) 5.264 8.526 ( 4.456 0.000 0.000) 4.456 8.538 ( 4.529 0.000 0.000) 4.529 8.564 ( -0.858 0.000 0.000) 0.858 8.620 ( -2.439 0.000 0.000) 2.439 8.630 ( 3.288 0.000 0.000) 3.288 8.693 ( -2.061 0.000 0.000) 2.061 8.789 ( 1.318 0.000 0.000) 1.318 8.826 ( -1.636 0.000 0.000) 1.636 8.879 ( 1.189 0.000 0.000) 1.189 8.903 ( -1.520 0.000 0.000) 1.520 8.992 ( 11.398 0.000 0.000) 11.398 9.175 ( 0.840 0.000 0.000) 0.840 9.236 ( -9.886 0.000 0.000) 9.886 9.291 ( -7.883 0.000 0.000) 7.883 9.424 ( 5.744 0.000 0.000) 5.744 9.515 ( 3.999 0.000 0.000) 3.999 9.522 ( -3.477 0.000 0.000) 3.477 9.599 ( 4.884 0.000 0.000) 4.884 9.610 ( -5.108 0.000 0.000) 5.108 9.661 ( -0.627 0.000 0.000) 0.627 9.901 ( 5.055 0.000 0.000) 5.055 9.971 ( -1.837 0.000 0.000) 1.837 10.258 ( 7.658 0.000 0.000) 7.658 10.370 ( -2.917 0.000 0.000) 2.917 10.373 ( 8.183 0.000 0.000) 8.183 10.609 ( -13.401 0.000 0.000) 13.401 11.093 ( 2.596 0.000 0.000) 2.596 11.170 ( -2.458 0.000 0.000) 2.458 11.208 ( -3.302 0.000 0.000) 3.302 11.239 ( -8.653 0.000 0.000) 8.653 11.463 ( 3.413 0.000 0.000) 3.413 11.517 ( -1.819 0.000 0.000) 1.819 11.625 ( 4.194 0.000 0.000) 4.194 11.656 ( 0.301 0.000 0.000) 0.301 11.753 ( 1.935 0.000 0.000) 1.935 11.775 ( -0.402 0.000 0.000) 0.402 11.932 ( 8.096 0.000 0.000) 8.096 12.137 ( -12.205 0.000 0.000) 12.205 12.295 ( -0.210 0.000 0.000) 0.210 12.317 ( -1.641 0.000 0.000) 1.641 12.758 ( 17.170 0.000 0.000) 17.170 12.859 ( 15.814 0.000 0.000) 15.814 13.060 ( -11.171 0.000 0.000) 11.171 13.071 ( -5.570 0.000 0.000) 5.570 13.101 ( 3.104 0.000 0.000) 3.104 13.229 ( -7.236 0.000 0.000) 7.236 13.263 ( 2.102 0.000 0.000) 2.102 13.302 ( -1.726 0.000 0.000) 1.726 13.454 ( 1.232 0.000 0.000) 1.232 13.519 ( -5.912 0.000 0.000) 5.912 13.898 ( 6.360 0.000 0.000) 6.360 13.990 ( -2.065 0.000 0.000) 2.065 14.053 ( -1.822 0.000 0.000) 1.822 14.078 ( -3.932 0.000 0.000) 3.932 14.184 ( 2.387 0.000 0.000) 2.387 14.222 ( -1.080 0.000 0.000) 1.080 14.425 ( 4.301 0.000 0.000) 4.301 14.494 ( -2.279 0.000 0.000) 2.279 15.259 ( 3.570 0.000 0.000) 3.570 15.351 ( -4.823 0.000 0.000) 4.823 15.455 ( 7.818 0.000 0.000) 7.818 15.646 ( -9.723 0.000 0.000) 9.723 16.166 ( 3.054 0.000 0.000) 3.054 16.213 ( -1.421 0.000 0.000) 1.421 16.471 ( 5.141 0.000 0.000) 5.141 16.550 ( -2.447 0.000 0.000) 2.447 16.965 ( 4.535 0.000 0.000) 4.535 17.055 ( -2.734 0.000 0.000) 2.734 17.261 ( -3.376 0.000 0.000) 3.376 17.277 ( -3.373 0.000 0.000) 3.373 17.456 ( 1.589 0.000 0.000) 1.589 17.472 ( 0.391 0.000 0.000) 0.391 17.682 ( 9.091 0.000 0.000) 9.091 17.880 ( -10.193 0.000 0.000) 10.193 18.251 ( 5.012 0.000 0.000) 5.012 18.316 ( -1.792 0.000 0.000) 1.792 18.793 ( 1.476 0.000 0.000) 1.476 18.804 ( 0.269 0.000 0.000) 0.269 18.882 ( 1.329 0.000 0.000) 1.329 18.939 ( -3.698 0.000 0.000) 3.698 19.042 ( 0.209 0.000 0.000) 0.209 19.044 ( 0.160 0.000 0.000) 0.160 20.092 ( 1.096 0.000 0.000) 1.096 20.121 ( -1.687 0.000 0.000) 1.687 20.432 ( 5.425 0.000 0.000) 5.425 20.543 ( -4.838 0.000 0.000) 4.838 21.497 ( 1.052 0.000 0.000) 1.052 21.519 ( -1.000 0.000 0.000) 1.000 21.732 ( 3.523 0.000 0.000) 3.523 21.835 ( -6.732 0.000 0.000) 6.732 22.207 ( 0.211 0.000 0.000) 0.211 22.208 ( -0.011 0.000 0.000) 0.011 22.318 ( 12.473 0.000 0.000) 12.473 22.584 ( -13.487 0.000 0.000) 13.487 22.842 ( -0.206 0.000 0.000) 0.206 22.844 ( -0.144 0.000 0.000) 0.144 22.991 ( 0.035 0.000 0.000) 0.035 22.996 ( -0.359 0.000 0.000) 0.359 23.065 ( 4.670 0.000 0.000) 4.670 23.146 ( 0.240 0.000 0.000) 0.240 23.185 ( 4.314 0.000 0.000) 4.314 23.215 ( -0.523 0.000 0.000) 0.523 23.227 ( 0.558 0.000 0.000) 0.558 23.300 ( -2.155 0.000 0.000) 2.155 23.403 ( 2.508 0.000 0.000) 2.508 23.500 ( -6.169 0.000 0.000) 6.169 23.718 ( 3.526 0.000 0.000) 3.526 23.789 ( -2.934 0.000 0.000) 2.934 23.975 ( 0.533 0.000 0.000) 0.533 23.983 ( -0.230 0.000 0.000) 0.230 24.205 ( 2.424 0.000 0.000) 2.424 24.260 ( -2.561 0.000 0.000) 2.561 24.565 ( 0.948 0.000 0.000) 0.948 24.592 ( -1.634 0.000 0.000) 1.634 24.770 ( 3.267 0.000 0.000) 3.267 24.814 ( -1.058 0.000 0.000) 1.058 25.004 ( 0.466 0.000 0.000) 0.466 25.014 ( -0.179 0.000 0.000) 0.179 25.344 ( 2.037 0.000 0.000) 2.037 25.407 ( -3.206 0.000 0.000) 3.206 25.553 ( -0.393 0.000 0.000) 0.393 25.559 ( -1.638 0.000 0.000) 1.638 26.433 ( 8.713 0.000 0.000) 8.713 26.601 ( -6.871 0.000 0.000) 6.871 27.457 ( 1.140 0.000 0.000) 1.140 27.480 ( -0.964 0.000 0.000) 0.964 ======================= Grid point 3 (3/36) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 37.767 0.000) 37.767 0.801 ( 0.000 40.655 0.000) 40.655 1.374 ( 0.000 67.726 0.000) 67.726 1.888 ( 0.000 6.328 0.000) 6.328 2.126 ( 0.000 26.735 0.000) 26.735 2.168 ( 0.000 6.287 0.000) 6.287 2.330 ( 0.000 9.445 0.000) 9.445 2.345 ( 0.000 -7.859 0.000) 7.859 2.612 ( 0.000 8.966 0.000) 8.966 2.648 ( 0.000 9.839 0.000) 9.839 2.916 ( 0.000 1.459 0.000) 1.459 2.927 ( 0.000 11.942 0.000) 11.942 3.043 ( 0.000 14.612 0.000) 14.612 3.187 ( 0.000 2.156 0.000) 2.156 3.325 ( 0.000 -5.614 0.000) 5.614 3.441 ( 0.000 -2.400 0.000) 2.400 3.583 ( 0.000 -4.819 0.000) 4.819 3.626 ( 0.000 0.436 0.000) 0.436 3.717 ( 0.000 6.030 0.000) 6.030 3.736 ( 0.000 -3.048 0.000) 3.048 3.843 ( 0.000 -4.358 0.000) 4.358 3.862 ( 0.000 6.636 0.000) 6.636 3.943 ( 0.000 1.434 0.000) 1.434 4.024 ( 0.000 -1.565 0.000) 1.565 4.076 ( 0.000 -0.314 0.000) 0.314 4.222 ( 0.000 -1.274 0.000) 1.274 4.271 ( 0.000 2.114 0.000) 2.114 4.283 ( 0.000 0.876 0.000) 0.876 4.437 ( 0.000 -5.475 0.000) 5.475 4.460 ( 0.000 4.702 0.000) 4.702 4.481 ( 0.000 -5.434 0.000) 5.434 4.562 ( 0.000 -5.145 0.000) 5.145 4.570 ( 0.000 -6.702 0.000) 6.702 4.676 ( 0.000 -4.460 0.000) 4.460 4.688 ( 0.000 -8.084 0.000) 8.084 4.860 ( 0.000 -0.978 0.000) 0.978 4.891 ( 0.000 -1.757 0.000) 1.757 4.922 ( 0.000 -1.999 0.000) 1.999 4.939 ( 0.000 5.429 0.000) 5.429 5.094 ( 0.000 5.949 0.000) 5.949 5.170 ( 0.000 5.031 0.000) 5.031 5.190 ( 0.000 -0.774 0.000) 0.774 5.249 ( 0.000 -5.497 0.000) 5.497 5.253 ( 0.000 2.726 0.000) 2.726 5.403 ( 0.000 -1.929 0.000) 1.929 5.458 ( 0.000 2.329 0.000) 2.329 5.523 ( 0.000 -3.506 0.000) 3.506 5.681 ( 0.000 -7.353 0.000) 7.353 5.708 ( 0.000 -4.322 0.000) 4.322 5.773 ( 0.000 2.495 0.000) 2.495 5.804 ( 0.000 -0.843 0.000) 0.843 5.873 ( 0.000 -7.262 0.000) 7.262 5.885 ( 0.000 -5.543 0.000) 5.543 5.959 ( 0.000 2.887 0.000) 2.887 5.961 ( 0.000 -3.409 0.000) 3.409 6.081 ( 0.000 -5.613 0.000) 5.613 6.125 ( 0.000 0.454 0.000) 0.454 6.212 ( 0.000 -0.808 0.000) 0.808 6.304 ( 0.000 5.345 0.000) 5.345 6.376 ( 0.000 5.875 0.000) 5.875 6.456 ( 0.000 -1.322 0.000) 1.322 6.499 ( 0.000 1.438 0.000) 1.438 6.563 ( 0.000 3.756 0.000) 3.756 6.760 ( 0.000 -7.558 0.000) 7.558 6.795 ( 0.000 -2.232 0.000) 2.232 6.827 ( 0.000 1.086 0.000) 1.086 6.862 ( 0.000 0.032 0.000) 0.032 6.992 ( 0.000 -3.619 0.000) 3.619 7.003 ( 0.000 -3.082 0.000) 3.082 7.041 ( 0.000 -6.277 0.000) 6.277 7.135 ( 0.000 0.200 0.000) 0.200 7.252 ( 0.000 -2.884 0.000) 2.884 7.313 ( 0.000 -3.753 0.000) 3.753 7.476 ( 0.000 -2.923 0.000) 2.923 7.483 ( 0.000 -2.126 0.000) 2.126 7.491 ( 0.000 0.538 0.000) 0.538 7.519 ( 0.000 -5.522 0.000) 5.522 7.524 ( 0.000 -5.542 0.000) 5.542 7.732 ( 0.000 -1.829 0.000) 1.829 7.804 ( 0.000 -11.692 0.000) 11.692 7.845 ( 0.000 -6.997 0.000) 6.997 7.900 ( 0.000 -4.568 0.000) 4.568 8.021 ( 0.000 -2.634 0.000) 2.634 8.065 ( 0.000 2.679 0.000) 2.679 8.116 ( 0.000 -4.609 0.000) 4.609 8.183 ( 0.000 -7.416 0.000) 7.416 8.211 ( 0.000 -5.903 0.000) 5.903 8.341 ( 0.000 -10.220 0.000) 10.220 8.346 ( 0.000 -4.129 0.000) 4.129 8.387 ( 0.000 -5.331 0.000) 5.331 8.472 ( 0.000 -0.206 0.000) 0.206 8.486 ( 0.000 -0.088 0.000) 0.088 8.607 ( 0.000 -5.170 0.000) 5.170 8.618 ( 0.000 3.120 0.000) 3.120 8.660 ( 0.000 -12.382 0.000) 12.382 8.691 ( 0.000 2.662 0.000) 2.662 8.694 ( 0.000 3.093 0.000) 3.093 8.726 ( 0.000 -0.498 0.000) 0.498 8.849 ( 0.000 -4.211 0.000) 4.211 9.004 ( 0.000 7.923 0.000) 7.923 9.101 ( 0.000 3.995 0.000) 3.995 9.114 ( 0.000 -0.048 0.000) 0.048 9.217 ( 0.000 -4.599 0.000) 4.599 9.341 ( 0.000 4.637 0.000) 4.637 9.347 ( 0.000 -5.263 0.000) 5.263 9.466 ( 0.000 0.066 0.000) 0.066 9.546 ( 0.000 -1.082 0.000) 1.082 9.557 ( 0.000 2.737 0.000) 2.737 9.663 ( 0.000 0.226 0.000) 0.226 9.772 ( 0.000 1.207 0.000) 1.207 9.932 ( 0.000 4.933 0.000) 4.933 10.241 ( 0.000 6.272 0.000) 6.272 10.315 ( 0.000 1.966 0.000) 1.966 10.396 ( 0.000 0.901 0.000) 0.901 10.634 ( 0.000 -4.986 0.000) 4.986 10.710 ( 0.000 -2.252 0.000) 2.252 10.840 ( 0.000 -11.871 0.000) 11.871 10.858 ( 0.000 6.002 0.000) 6.002 11.198 ( 0.000 -5.736 0.000) 5.736 11.292 ( 0.000 -6.531 0.000) 6.531 11.393 ( 0.000 3.715 0.000) 3.715 11.604 ( 0.000 9.742 0.000) 9.742 11.617 ( 0.000 -4.150 0.000) 4.150 11.664 ( 0.000 1.339 0.000) 1.339 11.745 ( 0.000 1.138 0.000) 1.138 11.794 ( 0.000 0.183 0.000) 0.183 11.956 ( 0.000 -1.362 0.000) 1.362 12.297 ( 0.000 1.333 0.000) 1.333 12.318 ( 0.000 -2.462 0.000) 2.462 12.381 ( 0.000 3.392 0.000) 3.392 12.394 ( 0.000 -0.788 0.000) 0.788 12.493 ( 0.000 -0.811 0.000) 0.811 12.705 ( 0.000 0.178 0.000) 0.178 13.085 ( 0.000 -3.350 0.000) 3.350 13.127 ( 0.000 -4.648 0.000) 4.648 13.217 ( 0.000 -1.054 0.000) 1.054 13.240 ( 0.000 0.288 0.000) 0.288 13.373 ( 0.000 -6.051 0.000) 6.051 13.496 ( 0.000 3.220 0.000) 3.220 13.560 ( 0.000 -6.016 0.000) 6.016 13.690 ( 0.000 -11.198 0.000) 11.198 13.807 ( 0.000 1.697 0.000) 1.697 13.969 ( 0.000 -5.298 0.000) 5.298 14.093 ( 0.000 0.167 0.000) 0.167 14.109 ( 0.000 -4.977 0.000) 4.977 14.296 ( 0.000 -1.112 0.000) 1.112 14.331 ( 0.000 -3.885 0.000) 3.885 14.445 ( 0.000 -6.435 0.000) 6.435 15.211 ( 0.000 -1.061 0.000) 1.061 15.381 ( 0.000 -1.877 0.000) 1.877 15.463 ( 0.000 -3.094 0.000) 3.094 15.468 ( 0.000 -0.384 0.000) 0.384 16.173 ( 0.000 0.749 0.000) 0.749 16.203 ( 0.000 -1.326 0.000) 1.326 16.384 ( 0.000 -1.476 0.000) 1.476 16.520 ( 0.000 -4.294 0.000) 4.294 16.841 ( 0.000 -6.392 0.000) 6.392 17.026 ( 0.000 -1.801 0.000) 1.801 17.277 ( 0.000 -8.587 0.000) 8.587 17.378 ( 0.000 3.318 0.000) 3.318 17.409 ( 0.000 4.072 0.000) 4.072 17.451 ( 0.000 -6.161 0.000) 6.161 17.634 ( 0.000 6.515 0.000) 6.515 18.090 ( 0.000 1.193 0.000) 1.193 18.125 ( 0.000 -2.037 0.000) 2.037 18.296 ( 0.000 -2.142 0.000) 2.142 18.796 ( 0.000 -0.688 0.000) 0.688 18.816 ( 0.000 -1.355 0.000) 1.355 19.101 ( 0.000 8.208 0.000) 8.208 19.180 ( 0.000 11.907 0.000) 11.907 19.186 ( 0.000 15.643 0.000) 15.643 19.310 ( 0.000 4.550 0.000) 4.550 20.162 ( 0.000 7.675 0.000) 7.675 20.213 ( 0.000 6.672 0.000) 6.672 20.561 ( 0.000 -0.024 0.000) 0.024 20.633 ( 0.000 5.554 0.000) 5.554 21.517 ( 0.000 2.865 0.000) 2.865 21.531 ( 0.000 0.260 0.000) 0.260 21.816 ( 0.000 -0.931 0.000) 0.931 21.918 ( 0.000 -2.228 0.000) 2.228 22.168 ( 0.000 2.524 0.000) 2.524 22.210 ( 0.000 -0.174 0.000) 0.174 22.221 ( 0.000 0.529 0.000) 0.529 22.418 ( 0.000 1.241 0.000) 1.241 22.746 ( 0.000 -3.683 0.000) 3.683 22.809 ( 0.000 -2.111 0.000) 2.111 23.006 ( 0.000 2.266 0.000) 2.266 23.089 ( 0.000 7.378 0.000) 7.378 23.098 ( 0.000 4.848 0.000) 4.848 23.234 ( 0.000 4.417 0.000) 4.417 23.241 ( 0.000 5.565 0.000) 5.565 23.285 ( 0.000 -0.375 0.000) 0.375 23.382 ( 0.000 13.564 0.000) 13.564 23.440 ( 0.000 5.959 0.000) 5.959 23.652 ( 0.000 10.056 0.000) 10.056 23.677 ( 0.000 5.153 0.000) 5.153 23.726 ( 0.000 0.131 0.000) 0.131 23.826 ( 0.000 0.791 0.000) 0.791 23.991 ( 0.000 2.276 0.000) 2.276 24.022 ( 0.000 3.985 0.000) 3.985 24.141 ( 0.000 -2.556 0.000) 2.556 24.190 ( 0.000 0.179 0.000) 0.179 24.517 ( 0.000 -2.800 0.000) 2.800 24.590 ( 0.000 -2.550 0.000) 2.550 24.722 ( 0.000 -3.527 0.000) 3.527 24.765 ( 0.000 -0.690 0.000) 0.690 25.024 ( 0.000 0.800 0.000) 0.800 25.045 ( 0.000 3.390 0.000) 3.390 25.255 ( 0.000 -3.156 0.000) 3.156 25.450 ( 0.000 -5.525 0.000) 5.525 25.570 ( 0.000 0.848 0.000) 0.848 26.290 ( 0.000 -3.866 0.000) 3.866 26.319 ( 0.000 -3.441 0.000) 3.441 26.601 ( 0.000 -6.051 0.000) 6.051 26.651 ( 0.000 -3.916 0.000) 3.916 27.330 ( 0.000 -13.206 0.000) 13.206 ======================= Grid point 4 (4/36) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 26.213 27.866 0.000) 38.258 1.302 ( 28.246 32.325 0.000) 42.928 1.645 ( -23.019 15.746 0.000) 27.889 1.805 ( -9.790 23.501 0.000) 25.459 1.863 ( 33.113 33.882 0.000) 47.376 2.128 ( 3.405 13.165 0.000) 13.598 2.205 ( -7.025 2.027 0.000) 7.312 2.424 ( 4.650 5.499 0.000) 7.201 2.545 ( -5.797 6.054 0.000) 8.382 2.754 ( -4.016 4.021 0.000) 5.683 2.976 ( -3.752 4.113 0.000) 5.568 3.086 ( 9.119 7.834 0.000) 12.021 3.102 ( -1.462 5.205 0.000) 5.407 3.194 ( -7.670 5.766 0.000) 9.596 3.233 ( -6.489 11.957 0.000) 13.604 3.424 ( 4.831 -2.216 0.000) 5.315 3.446 ( -10.201 3.200 0.000) 10.691 3.525 ( 2.196 -2.536 0.000) 3.355 3.598 ( -7.317 0.959 0.000) 7.380 3.751 ( -11.470 -5.802 0.000) 12.854 3.807 ( 3.725 -0.852 0.000) 3.821 3.852 ( -1.016 1.285 0.000) 1.639 3.878 ( 8.514 -1.952 0.000) 8.735 3.992 ( 1.830 -3.028 0.000) 3.538 4.074 ( -1.729 1.158 0.000) 2.081 4.129 ( -9.804 2.826 0.000) 10.203 4.174 ( -2.625 2.656 0.000) 3.734 4.251 ( -8.830 1.435 0.000) 8.945 4.304 ( 3.501 3.613 0.000) 5.032 4.415 ( -6.981 1.807 0.000) 7.211 4.549 ( 6.755 -5.881 0.000) 8.956 4.608 ( 1.783 -6.661 0.000) 6.895 4.701 ( 7.462 -8.101 0.000) 11.013 4.785 ( 6.568 -1.222 0.000) 6.681 4.811 ( -2.708 -7.870 0.000) 8.323 4.852 ( -0.952 -0.737 0.000) 1.204 4.886 ( 8.247 -6.667 0.000) 10.605 4.948 ( 0.414 0.176 0.000) 0.450 4.989 ( 2.893 0.918 0.000) 3.036 5.079 ( -3.305 -1.044 0.000) 3.466 5.127 ( -0.262 3.101 0.000) 3.112 5.189 ( -0.962 -3.081 0.000) 3.228 5.259 ( 0.579 -2.148 0.000) 2.224 5.347 ( -4.317 -7.423 0.000) 8.587 5.424 ( 3.882 -0.976 0.000) 4.003 5.449 ( 3.427 0.898 0.000) 3.543 5.551 ( -3.128 0.790 0.000) 3.227 5.568 ( -2.965 -2.377 0.000) 3.800 5.714 ( -3.319 -7.149 0.000) 7.882 5.722 ( -6.913 -5.563 0.000) 8.873 5.823 ( 3.112 -3.812 0.000) 4.921 5.896 ( -0.996 -2.377 0.000) 2.577 5.955 ( 3.966 -2.968 0.000) 4.954 5.975 ( 4.260 4.157 0.000) 5.952 6.068 ( 10.087 -0.104 0.000) 10.088 6.107 ( -4.610 -1.522 0.000) 4.854 6.160 ( 0.062 -0.824 0.000) 0.827 6.272 ( 6.782 -0.365 0.000) 6.792 6.350 ( 6.279 4.803 0.000) 7.905 6.364 ( 4.835 -7.490 0.000) 8.915 6.438 ( -2.928 -2.400 0.000) 3.786 6.575 ( 4.926 1.322 0.000) 5.100 6.633 ( 2.723 2.365 0.000) 3.607 6.705 ( -5.125 -1.605 0.000) 5.370 6.756 ( -2.957 -1.188 0.000) 3.186 6.794 ( -5.133 -0.836 0.000) 5.200 6.859 ( -1.143 -2.166 0.000) 2.449 6.879 ( -2.930 -3.310 0.000) 4.420 7.097 ( 7.430 -3.628 0.000) 8.269 7.133 ( 7.413 -1.045 0.000) 7.486 7.208 ( 1.209 -8.134 0.000) 8.223 7.303 ( -4.172 -6.477 0.000) 7.704 7.320 ( 5.605 -4.243 0.000) 7.030 7.414 ( -3.724 -3.452 0.000) 5.078 7.436 ( -3.424 -1.811 0.000) 3.873 7.450 ( -2.098 -0.006 0.000) 2.098 7.551 ( 1.905 -6.643 0.000) 6.910 7.645 ( -5.663 -4.728 0.000) 7.378 7.715 ( 13.889 -5.711 0.000) 15.018 7.818 ( 3.480 -7.347 0.000) 8.130 7.881 ( 2.661 -6.288 0.000) 6.828 7.895 ( -1.959 -6.690 0.000) 6.971 7.957 ( -8.243 -2.531 0.000) 8.623 8.038 ( -5.360 -6.703 0.000) 8.582 8.075 ( -3.702 -0.785 0.000) 3.784 8.100 ( -1.566 0.246 0.000) 1.586 8.241 ( 3.684 -3.514 0.000) 5.091 8.329 ( -3.967 -3.756 0.000) 5.463 8.396 ( 5.785 -4.117 0.000) 7.101 8.444 ( 1.190 -3.336 0.000) 3.542 8.466 ( -0.624 0.114 0.000) 0.634 8.482 ( 2.491 -4.248 0.000) 4.924 8.544 ( -5.196 0.595 0.000) 5.230 8.573 ( -5.562 -2.443 0.000) 6.075 8.644 ( 1.698 -5.194 0.000) 5.465 8.682 ( 2.797 -2.890 0.000) 4.022 8.691 ( -0.487 0.274 0.000) 0.559 8.723 ( 0.784 -3.951 0.000) 4.028 8.890 ( 2.835 -1.223 0.000) 3.088 8.990 ( -6.709 3.558 0.000) 7.594 9.043 ( 4.907 2.422 0.000) 5.473 9.155 ( -3.051 -2.045 0.000) 3.673 9.217 ( 2.237 -0.189 0.000) 2.245 9.285 ( -2.623 0.403 0.000) 2.654 9.414 ( 1.265 -1.871 0.000) 2.258 9.460 ( 2.902 1.142 0.000) 3.118 9.531 ( -1.414 0.474 0.000) 1.492 9.563 ( -1.607 1.575 0.000) 2.250 9.709 ( 2.910 0.584 0.000) 2.968 9.777 ( -3.990 3.253 0.000) 5.149 9.945 ( 5.520 5.640 0.000) 7.892 10.111 ( -11.923 9.492 0.000) 15.240 10.279 ( 2.955 1.849 0.000) 3.486 10.347 ( -1.979 -0.113 0.000) 1.982 10.463 ( 7.373 5.534 0.000) 9.219 10.655 ( -10.910 2.119 0.000) 11.114 10.953 ( 5.019 -5.414 0.000) 7.383 11.047 ( 0.162 -10.960 0.000) 10.961 11.142 ( -3.372 -5.973 0.000) 6.859 11.170 ( -4.809 -5.455 0.000) 7.272 11.483 ( 5.152 2.000 0.000) 5.527 11.577 ( -3.735 2.132 0.000) 4.300 11.686 ( 3.501 6.091 0.000) 7.026 11.698 ( 4.516 -1.558 0.000) 4.777 11.745 ( -0.166 0.905 0.000) 0.920 11.794 ( -1.443 1.265 0.000) 1.919 11.931 ( 4.938 -0.671 0.000) 4.983 12.120 ( -12.169 -1.728 0.000) 12.291 12.327 ( 0.809 3.507 0.000) 3.599 12.357 ( -1.626 3.578 0.000) 3.930 12.711 ( 16.539 -6.099 0.000) 17.627 12.752 ( 17.894 -8.728 0.000) 19.909 12.934 ( 12.306 -6.921 0.000) 14.118 13.008 ( -7.301 -6.282 0.000) 9.631 13.065 ( -8.778 -0.992 0.000) 8.834 13.165 ( 2.247 -3.554 0.000) 4.205 13.248 ( -8.500 -3.400 0.000) 9.155 13.271 ( -2.447 -2.849 0.000) 3.756 13.474 ( -0.857 1.012 0.000) 1.326 13.487 ( -2.765 -1.696 0.000) 3.244 13.788 ( 6.319 -8.050 0.000) 10.234 13.880 ( -0.723 -5.812 0.000) 5.857 13.993 ( 3.688 -5.195 0.000) 6.371 14.065 ( -2.878 -2.115 0.000) 3.572 14.101 ( 2.539 -4.315 0.000) 5.007 14.208 ( -6.005 -2.790 0.000) 6.621 14.391 ( 3.761 -4.128 0.000) 5.585 14.446 ( -1.155 -4.532 0.000) 4.677 15.222 ( 2.572 -1.740 0.000) 3.105 15.310 ( -5.355 -2.811 0.000) 6.048 15.481 ( 5.281 0.497 0.000) 5.304 15.563 ( -0.253 -4.722 0.000) 4.729 16.182 ( 0.848 0.903 0.000) 1.238 16.199 ( -0.497 -0.834 0.000) 0.971 16.421 ( 3.963 -3.281 0.000) 5.145 16.497 ( -2.600 -4.434 0.000) 5.140 16.891 ( 4.951 -6.412 0.000) 8.101 17.002 ( -4.088 -4.414 0.000) 6.016 17.190 ( -1.197 -4.585 0.000) 4.739 17.269 ( -7.240 -2.703 0.000) 7.728 17.465 ( 4.245 2.236 0.000) 4.798 17.528 ( -1.196 5.084 0.000) 5.223 17.690 ( 9.192 2.526 0.000) 9.533 17.909 ( -11.263 1.937 0.000) 11.428 18.229 ( 4.281 -1.443 0.000) 4.517 18.285 ( -1.464 -2.124 0.000) 2.580 18.802 ( 0.491 -0.845 0.000) 0.977 18.811 ( -0.417 -1.134 0.000) 1.208 19.085 ( -1.092 10.867 0.000) 10.922 19.109 ( -4.694 12.539 0.000) 13.389 19.193 ( 0.659 14.809 0.000) 14.824 19.220 ( -2.554 14.027 0.000) 14.258 20.168 ( 0.869 7.395 0.000) 7.446 20.196 ( -1.651 6.937 0.000) 7.131 20.532 ( 1.840 5.757 0.000) 6.044 20.605 ( -3.700 4.845 0.000) 6.096 21.520 ( 0.355 2.310 0.000) 2.337 21.528 ( -0.334 0.885 0.000) 0.946 21.766 ( -0.003 1.635 0.000) 1.635 21.828 ( -5.407 -0.523 0.000) 5.433 22.207 ( 0.208 0.005 0.000) 0.208 22.209 ( -0.053 -0.016 0.000) 0.056 22.327 ( 11.472 0.795 0.000) 11.499 22.565 ( -8.327 -2.678 0.000) 8.747 22.635 ( 6.993 -4.765 0.000) 8.462 22.773 ( -4.210 -4.137 0.000) 5.902 23.056 ( 2.466 1.622 0.000) 2.951 23.085 ( -0.054 5.082 0.000) 5.083 23.139 ( 1.300 2.720 0.000) 3.015 23.190 ( -3.588 6.307 0.000) 7.256 23.254 ( 2.630 6.714 0.000) 7.211 23.292 ( -0.392 3.962 0.000) 3.982 23.411 ( 3.447 12.332 0.000) 12.805 23.460 ( 2.089 5.713 0.000) 6.083 23.524 ( -7.061 15.861 0.000) 17.361 23.580 ( -6.566 8.705 0.000) 10.904 23.742 ( 3.118 2.557 0.000) 4.033 23.805 ( -2.525 1.828 0.000) 3.118 23.998 ( 0.803 2.551 0.000) 2.674 24.015 ( -0.707 3.392 0.000) 3.465 24.168 ( 2.535 -2.427 0.000) 3.510 24.214 ( -1.019 -2.283 0.000) 2.500 24.537 ( 1.825 -2.813 0.000) 3.353 24.574 ( -1.565 -2.091 0.000) 2.612 24.745 ( 2.096 -2.887 0.000) 3.567 24.772 ( -0.168 -2.799 0.000) 2.804 25.026 ( 0.426 1.266 0.000) 1.335 25.039 ( -0.642 2.435 0.000) 2.518 25.291 ( 3.336 -3.687 0.000) 4.972 25.383 ( -5.421 -3.974 0.000) 6.722 25.592 ( 3.408 3.349 0.000) 4.778 25.763 ( -16.677 12.052 0.000) 20.576 26.395 ( 8.066 -3.776 0.000) 8.906 26.550 ( -6.357 -4.959 0.000) 8.063 27.149 ( 15.063 -21.767 0.000) 26.471 27.302 ( -3.265 -15.252 0.000) 15.598 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 35.711 0.000) 35.711 1.569 ( 0.000 37.558 0.000) 37.558 1.972 ( 0.000 2.546 0.000) 2.546 2.248 ( 0.000 6.303 0.000) 6.303 2.332 ( 0.000 8.135 0.000) 8.135 2.501 ( 0.000 22.471 0.000) 22.471 2.566 ( 0.000 16.780 0.000) 16.780 2.643 ( 0.000 17.245 0.000) 17.245 2.760 ( 0.000 21.565 0.000) 21.565 2.866 ( 0.000 12.162 0.000) 12.162 2.941 ( 0.000 0.367 0.000) 0.367 3.187 ( 0.000 -10.533 0.000) 10.533 3.214 ( 0.000 2.241 0.000) 2.241 3.230 ( 0.000 7.289 0.000) 7.289 3.252 ( 0.000 3.631 0.000) 3.631 3.414 ( 0.000 8.120 0.000) 8.120 3.605 ( 0.000 -0.697 0.000) 0.697 3.605 ( 0.000 4.520 0.000) 4.520 3.665 ( 0.000 2.668 0.000) 2.668 3.741 ( 0.000 -3.694 0.000) 3.694 3.873 ( 0.000 4.502 0.000) 4.502 3.918 ( 0.000 -1.951 0.000) 1.951 3.957 ( 0.000 -6.778 0.000) 6.778 4.127 ( 0.000 8.029 0.000) 8.029 4.128 ( 0.000 9.051 0.000) 9.051 4.190 ( 0.000 -1.629 0.000) 1.629 4.249 ( 0.000 -4.473 0.000) 4.473 4.263 ( 0.000 -1.903 0.000) 1.903 4.338 ( 0.000 2.013 0.000) 2.013 4.413 ( 0.000 -3.011 0.000) 3.011 4.441 ( 0.000 -3.461 0.000) 3.461 4.473 ( 0.000 -1.638 0.000) 1.638 4.529 ( 0.000 4.807 0.000) 4.807 4.583 ( 0.000 -2.515 0.000) 2.515 4.701 ( 0.000 1.810 0.000) 1.810 4.778 ( 0.000 -3.325 0.000) 3.325 4.836 ( 0.000 -1.636 0.000) 1.636 4.900 ( 0.000 -3.467 0.000) 3.467 4.987 ( 0.000 -0.330 0.000) 0.330 5.115 ( 0.000 -4.752 0.000) 4.752 5.141 ( 0.000 -1.088 0.000) 1.088 5.235 ( 0.000 0.902 0.000) 0.902 5.277 ( 0.000 3.666 0.000) 3.666 5.282 ( 0.000 3.000 0.000) 3.000 5.376 ( 0.000 -3.192 0.000) 3.192 5.455 ( 0.000 -2.961 0.000) 2.961 5.479 ( 0.000 -0.068 0.000) 0.068 5.542 ( 0.000 -6.128 0.000) 6.128 5.585 ( 0.000 -6.822 0.000) 6.822 5.723 ( 0.000 -8.851 0.000) 8.851 5.728 ( 0.000 -5.302 0.000) 5.302 5.769 ( 0.000 -1.397 0.000) 1.397 5.887 ( 0.000 6.374 0.000) 6.374 5.938 ( 0.000 -3.066 0.000) 3.066 5.946 ( 0.000 0.184 0.000) 0.184 6.066 ( 0.000 4.624 0.000) 4.624 6.124 ( 0.000 -0.568 0.000) 0.568 6.178 ( 0.000 -2.195 0.000) 2.195 6.353 ( 0.000 -6.927 0.000) 6.927 6.432 ( 0.000 -0.320 0.000) 0.320 6.479 ( 0.000 2.095 0.000) 2.095 6.492 ( 0.000 3.620 0.000) 3.620 6.550 ( 0.000 -5.389 0.000) 5.389 6.650 ( 0.000 -4.834 0.000) 4.834 6.669 ( 0.000 -7.993 0.000) 7.993 6.813 ( 0.000 -3.495 0.000) 3.495 6.829 ( 0.000 -5.342 0.000) 5.342 6.900 ( 0.000 0.088 0.000) 0.088 6.961 ( 0.000 0.396 0.000) 0.396 6.991 ( 0.000 -5.816 0.000) 5.816 7.083 ( 0.000 -6.139 0.000) 6.139 7.115 ( 0.000 -7.175 0.000) 7.175 7.279 ( 0.000 -0.531 0.000) 0.531 7.311 ( 0.000 -13.581 0.000) 13.581 7.392 ( 0.000 -9.258 0.000) 9.258 7.401 ( 0.000 -6.575 0.000) 6.575 7.456 ( 0.000 2.308 0.000) 2.308 7.515 ( 0.000 2.440 0.000) 2.440 7.609 ( 0.000 -5.450 0.000) 5.450 7.610 ( 0.000 -8.385 0.000) 8.385 7.706 ( 0.000 -8.832 0.000) 8.832 7.883 ( 0.000 1.190 0.000) 1.190 7.925 ( 0.000 -5.115 0.000) 5.115 8.026 ( 0.000 -7.976 0.000) 7.976 8.033 ( 0.000 -10.004 0.000) 10.004 8.074 ( 0.000 -5.959 0.000) 5.959 8.079 ( 0.000 -5.578 0.000) 5.578 8.133 ( 0.000 -3.604 0.000) 3.604 8.222 ( 0.000 -8.061 0.000) 8.061 8.281 ( 0.000 -4.662 0.000) 4.662 8.404 ( 0.000 -12.420 0.000) 12.420 8.423 ( 0.000 -3.912 0.000) 3.912 8.458 ( 0.000 -0.930 0.000) 0.930 8.566 ( 0.000 1.338 0.000) 1.338 8.669 ( 0.000 -4.882 0.000) 4.882 8.674 ( 0.000 1.937 0.000) 1.937 8.710 ( 0.000 1.366 0.000) 1.366 8.788 ( 0.000 3.636 0.000) 3.636 8.797 ( 0.000 1.466 0.000) 1.466 9.000 ( 0.000 -7.471 0.000) 7.471 9.109 ( 0.000 2.965 0.000) 2.965 9.144 ( 0.000 -0.117 0.000) 0.117 9.244 ( 0.000 -1.466 0.000) 1.466 9.259 ( 0.000 3.504 0.000) 3.504 9.430 ( 0.000 2.585 0.000) 2.585 9.501 ( 0.000 2.495 0.000) 2.495 9.518 ( 0.000 -0.578 0.000) 0.578 9.637 ( 0.000 -1.075 0.000) 1.075 9.654 ( 0.000 6.214 0.000) 6.214 9.850 ( 0.000 3.935 0.000) 3.935 10.068 ( 0.000 8.829 0.000) 8.829 10.305 ( 0.000 -2.394 0.000) 2.394 10.309 ( 0.000 -0.782 0.000) 0.782 10.437 ( 0.000 2.027 0.000) 2.027 10.490 ( 0.000 -10.022 0.000) 10.022 10.586 ( 0.000 -8.469 0.000) 8.469 10.753 ( 0.000 0.824 0.000) 0.824 10.935 ( 0.000 0.684 0.000) 0.684 11.087 ( 0.000 -4.487 0.000) 4.487 11.235 ( 0.000 0.733 0.000) 0.733 11.393 ( 0.000 -2.040 0.000) 2.040 11.456 ( 0.000 -10.180 0.000) 10.180 11.628 ( 0.000 -4.919 0.000) 4.919 11.699 ( 0.000 -1.692 0.000) 1.692 11.798 ( 0.000 -1.242 0.000) 1.242 11.837 ( 0.000 7.404 0.000) 7.404 11.907 ( 0.000 -3.606 0.000) 3.606 12.232 ( 0.000 -5.239 0.000) 5.239 12.334 ( 0.000 1.989 0.000) 1.989 12.416 ( 0.000 2.608 0.000) 2.608 12.457 ( 0.000 1.821 0.000) 1.821 12.494 ( 0.000 3.564 0.000) 3.564 12.696 ( 0.000 -2.298 0.000) 2.298 12.980 ( 0.000 -7.209 0.000) 7.209 13.014 ( 0.000 -6.619 0.000) 6.619 13.136 ( 0.000 -8.601 0.000) 8.601 13.208 ( 0.000 -3.824 0.000) 3.824 13.232 ( 0.000 -7.282 0.000) 7.282 13.459 ( 0.000 -2.388 0.000) 2.388 13.479 ( 0.000 -8.684 0.000) 8.684 13.573 ( 0.000 3.487 0.000) 3.487 13.836 ( 0.000 0.880 0.000) 0.880 13.836 ( 0.000 -6.097 0.000) 6.097 13.978 ( 0.000 -7.730 0.000) 7.730 14.099 ( 0.000 0.621 0.000) 0.621 14.200 ( 0.000 -9.248 0.000) 9.248 14.271 ( 0.000 -0.974 0.000) 0.974 14.295 ( 0.000 -7.952 0.000) 7.952 15.179 ( 0.000 -2.449 0.000) 2.449 15.366 ( 0.000 -0.140 0.000) 0.140 15.406 ( 0.000 -2.103 0.000) 2.103 15.449 ( 0.000 -0.600 0.000) 0.600 16.175 ( 0.000 -1.296 0.000) 1.296 16.188 ( 0.000 0.715 0.000) 0.715 16.363 ( 0.000 -0.243 0.000) 0.243 16.450 ( 0.000 -2.266 0.000) 2.266 16.720 ( 0.000 -5.214 0.000) 5.214 16.996 ( 0.000 -1.067 0.000) 1.067 17.096 ( 0.000 -8.912 0.000) 8.912 17.323 ( 0.000 -5.932 0.000) 5.932 17.424 ( 0.000 1.638 0.000) 1.638 17.497 ( 0.000 3.656 0.000) 3.656 17.804 ( 0.000 9.643 0.000) 9.643 18.100 ( 0.000 0.145 0.000) 0.145 18.179 ( 0.000 7.313 0.000) 7.313 18.275 ( 0.000 0.279 0.000) 0.279 18.773 ( 0.000 -1.525 0.000) 1.525 18.787 ( 0.000 -1.396 0.000) 1.396 19.304 ( 0.000 11.601 0.000) 11.601 19.387 ( 0.000 5.059 0.000) 5.059 19.448 ( 0.000 14.554 0.000) 14.554 19.499 ( 0.000 13.077 0.000) 13.077 20.340 ( 0.000 9.346 0.000) 9.346 20.368 ( 0.000 8.074 0.000) 8.074 20.551 ( 0.000 -1.100 0.000) 1.100 20.730 ( 0.000 3.355 0.000) 3.355 21.544 ( 0.000 1.057 0.000) 1.057 21.577 ( 0.000 2.949 0.000) 2.949 21.795 ( 0.000 -1.149 0.000) 1.149 21.856 ( 0.000 -3.804 0.000) 3.804 22.201 ( 0.000 0.445 0.000) 0.445 22.206 ( 0.000 -0.194 0.000) 0.194 22.253 ( 0.000 2.723 0.000) 2.723 22.448 ( 0.000 1.725 0.000) 1.725 22.664 ( 0.000 -4.438 0.000) 4.438 22.763 ( 0.000 -2.132 0.000) 2.132 23.065 ( 0.000 2.628 0.000) 2.628 23.170 ( 0.000 0.666 0.000) 0.666 23.228 ( 0.000 6.648 0.000) 6.648 23.264 ( 0.000 2.214 0.000) 2.214 23.371 ( 0.000 5.760 0.000) 5.760 23.404 ( 0.000 9.690 0.000) 9.690 23.574 ( 0.000 5.564 0.000) 5.564 23.655 ( 0.000 11.406 0.000) 11.406 23.777 ( 0.000 6.737 0.000) 6.737 23.796 ( 0.000 5.678 0.000) 5.678 23.868 ( 0.000 4.621 0.000) 4.621 23.881 ( 0.000 12.151 0.000) 12.151 24.050 ( 0.000 3.682 0.000) 3.682 24.141 ( 0.000 7.114 0.000) 7.114 24.145 ( 0.000 4.228 0.000) 4.228 24.213 ( 0.000 2.388 0.000) 2.388 24.443 ( 0.000 -4.522 0.000) 4.522 24.538 ( 0.000 -1.640 0.000) 1.640 24.678 ( 0.000 0.433 0.000) 0.433 24.732 ( 0.000 -2.244 0.000) 2.244 25.018 ( 0.000 -2.296 0.000) 2.296 25.064 ( 0.000 -3.050 0.000) 3.050 25.223 ( 0.000 1.610 0.000) 1.610 25.342 ( 0.000 -4.033 0.000) 4.033 25.583 ( 0.000 0.339 0.000) 0.339 26.182 ( 0.000 -6.848 0.000) 6.848 26.231 ( 0.000 -5.431 0.000) 5.431 26.452 ( 0.000 -8.732 0.000) 8.732 26.531 ( 0.000 -8.020 0.000) 8.020 27.009 ( 0.000 -18.245 0.000) 18.245 ======================= Grid point 7 (6/36) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 13.970 31.791 0.000) 34.725 1.828 ( 23.306 24.285 0.000) 33.659 1.982 ( -0.514 11.829 0.000) 11.840 2.057 ( -12.861 14.154 0.000) 19.124 2.241 ( -1.239 4.266 0.000) 4.442 2.500 ( -13.444 15.502 0.000) 20.519 2.528 ( 4.091 11.595 0.000) 12.295 2.666 ( -6.403 8.574 0.000) 10.701 2.782 ( 5.637 31.031 0.000) 31.539 2.838 ( 2.618 5.632 0.000) 6.211 3.059 ( 0.346 -1.412 0.000) 1.454 3.135 ( 2.757 0.129 0.000) 2.760 3.176 ( 2.450 1.599 0.000) 2.926 3.248 ( 3.471 4.092 0.000) 5.365 3.390 ( 5.624 0.566 0.000) 5.653 3.450 ( 2.609 1.520 0.000) 3.020 3.527 ( -7.862 1.170 0.000) 7.949 3.552 ( -6.325 -0.767 0.000) 6.371 3.666 ( -5.145 14.008 0.000) 14.923 3.726 ( -5.999 2.451 0.000) 6.480 3.770 ( 2.628 1.803 0.000) 3.187 3.845 ( -4.764 2.569 0.000) 5.412 3.988 ( -0.183 3.632 0.000) 3.636 4.043 ( -0.703 6.645 0.000) 6.682 4.084 ( 0.068 0.140 0.000) 0.156 4.151 ( -1.581 3.894 0.000) 4.202 4.245 ( 1.021 2.212 0.000) 2.436 4.270 ( -2.490 3.584 0.000) 4.364 4.387 ( -1.157 -1.204 0.000) 1.670 4.421 ( -0.144 5.769 0.000) 5.770 4.484 ( 4.100 -3.202 0.000) 5.202 4.499 ( 6.229 -5.647 0.000) 8.408 4.567 ( -1.656 -0.330 0.000) 1.689 4.655 ( -2.877 -5.079 0.000) 5.837 4.769 ( 7.065 -0.150 0.000) 7.067 4.791 ( 2.794 -3.700 0.000) 4.637 4.815 ( 2.798 -1.898 0.000) 3.381 4.906 ( -0.253 -2.014 0.000) 2.030 4.997 ( -1.170 -1.981 0.000) 2.301 5.056 ( -5.883 -0.168 0.000) 5.885 5.113 ( 0.035 -2.638 0.000) 2.638 5.141 ( 2.087 -6.406 0.000) 6.737 5.209 ( -3.101 2.726 0.000) 4.129 5.246 ( -7.488 -2.222 0.000) 7.811 5.371 ( 2.015 -6.323 0.000) 6.636 5.455 ( -5.581 -8.674 0.000) 10.315 5.475 ( 3.332 -0.021 0.000) 3.332 5.572 ( -0.689 -1.150 0.000) 1.341 5.585 ( 1.721 -5.043 0.000) 5.328 5.623 ( -5.489 -3.400 0.000) 6.457 5.746 ( 1.882 -0.884 0.000) 2.079 5.824 ( -4.401 -3.187 0.000) 5.434 5.862 ( 7.448 -4.469 0.000) 8.686 6.014 ( -1.238 -4.087 0.000) 4.270 6.075 ( 8.407 2.595 0.000) 8.798 6.079 ( 0.817 0.005 0.000) 0.817 6.186 ( 2.242 -3.540 0.000) 4.190 6.239 ( 4.949 -0.467 0.000) 4.971 6.315 ( -3.206 2.185 0.000) 3.880 6.339 ( -4.315 -5.073 0.000) 6.660 6.414 ( 1.926 1.975 0.000) 2.759 6.536 ( -1.842 -6.642 0.000) 6.892 6.604 ( 1.542 -7.997 0.000) 8.144 6.639 ( -0.441 -2.052 0.000) 2.099 6.729 ( 3.703 -0.114 0.000) 3.704 6.789 ( -1.583 0.248 0.000) 1.603 6.814 ( 2.847 -2.571 0.000) 3.836 6.865 ( -3.454 -1.119 0.000) 3.631 7.002 ( 1.111 -7.724 0.000) 7.804 7.040 ( -1.224 -9.107 0.000) 9.188 7.079 ( 4.880 -5.235 0.000) 7.157 7.146 ( -0.617 -5.418 0.000) 5.453 7.253 ( 1.692 -5.381 0.000) 5.641 7.302 ( -1.175 -8.135 0.000) 8.219 7.338 ( 0.409 -7.930 0.000) 7.940 7.445 ( -7.797 -4.689 0.000) 9.099 7.480 ( 2.566 1.173 0.000) 2.821 7.528 ( -1.759 -0.960 0.000) 2.004 7.606 ( 10.326 -7.203 0.000) 12.590 7.644 ( 2.845 -5.211 0.000) 5.937 7.760 ( 3.022 -6.079 0.000) 6.789 7.825 ( -3.487 -4.862 0.000) 5.983 7.864 ( -5.123 -8.425 0.000) 9.860 7.900 ( -9.884 -2.508 0.000) 10.197 8.057 ( 3.639 -1.661 0.000) 4.000 8.086 ( 0.927 -4.087 0.000) 4.191 8.147 ( 2.937 -3.166 0.000) 4.319 8.241 ( 7.696 -11.349 0.000) 13.713 8.250 ( -2.057 -4.200 0.000) 4.676 8.307 ( 3.919 -6.899 0.000) 7.934 8.356 ( -0.109 -8.428 0.000) 8.429 8.428 ( -1.394 -5.052 0.000) 5.241 8.478 ( 0.230 -1.590 0.000) 1.607 8.540 ( -2.510 0.329 0.000) 2.531 8.585 ( -5.484 -2.203 0.000) 5.909 8.644 ( -7.570 0.832 0.000) 7.616 8.731 ( 2.807 2.351 0.000) 3.661 8.756 ( 1.702 3.551 0.000) 3.938 8.837 ( 6.457 -2.378 0.000) 6.882 9.024 ( -0.894 -0.997 0.000) 1.339 9.049 ( -6.721 0.341 0.000) 6.730 9.106 ( -3.971 -2.110 0.000) 4.497 9.237 ( 3.683 1.388 0.000) 3.936 9.323 ( 0.200 2.176 0.000) 2.185 9.402 ( 4.736 1.324 0.000) 4.917 9.493 ( -0.232 0.982 0.000) 1.008 9.530 ( 0.654 -0.899 0.000) 1.112 9.625 ( -4.448 3.818 0.000) 5.862 9.704 ( 4.861 0.358 0.000) 4.874 9.825 ( -6.182 2.831 0.000) 6.799 10.077 ( 4.180 5.689 0.000) 7.059 10.212 ( -8.080 1.088 0.000) 8.153 10.297 ( 1.567 -0.150 0.000) 1.574 10.358 ( -2.959 0.824 0.000) 3.071 10.518 ( 5.672 -1.411 0.000) 5.845 10.608 ( -3.174 -6.690 0.000) 7.404 10.890 ( 7.330 -4.364 0.000) 8.530 10.948 ( 2.258 2.119 0.000) 3.096 11.031 ( -5.171 -4.065 0.000) 6.577 11.083 ( -8.695 -2.003 0.000) 8.923 11.458 ( 6.296 -4.984 0.000) 8.030 11.564 ( -0.573 -4.675 0.000) 4.710 11.618 ( 4.225 -3.080 0.000) 5.228 11.707 ( -4.030 -3.771 0.000) 5.520 11.802 ( 4.960 -0.858 0.000) 5.034 11.838 ( 0.188 6.048 0.000) 6.051 11.893 ( 1.343 -3.125 0.000) 3.402 12.068 ( -12.226 -3.502 0.000) 12.718 12.420 ( 1.856 5.097 0.000) 5.425 12.444 ( -0.630 5.176 0.000) 5.214 12.533 ( 14.255 -8.079 0.000) 16.385 12.669 ( 13.126 -2.403 0.000) 13.344 12.840 ( -12.041 -10.109 0.000) 15.723 12.853 ( 7.383 -3.134 0.000) 8.021 12.975 ( -4.513 -7.372 0.000) 8.643 13.093 ( 2.254 -6.165 0.000) 6.565 13.157 ( -8.969 -3.345 0.000) 9.573 13.183 ( -2.815 -6.483 0.000) 7.068 13.440 ( 3.765 -1.951 0.000) 4.240 13.522 ( -3.796 1.737 0.000) 4.175 13.642 ( 8.521 -5.438 0.000) 10.109 13.789 ( -5.023 -4.616 0.000) 6.821 13.897 ( 3.845 -2.978 0.000) 4.864 13.956 ( -1.623 -6.982 0.000) 7.168 14.052 ( -0.528 -2.048 0.000) 2.115 14.136 ( -7.073 -4.639 0.000) 8.459 14.283 ( 5.157 -5.579 0.000) 7.597 14.348 ( -0.384 -4.691 0.000) 4.707 15.194 ( 2.238 -1.542 0.000) 2.718 15.274 ( -5.332 -0.935 0.000) 5.413 15.465 ( 3.242 -1.534 0.000) 3.587 15.490 ( 1.303 -2.507 0.000) 2.825 16.187 ( 0.921 -0.398 0.000) 1.003 16.197 ( 0.214 0.498 0.000) 0.542 16.376 ( 1.755 -0.866 0.000) 1.956 16.425 ( -2.391 -2.113 0.000) 3.191 16.762 ( 4.617 -6.027 0.000) 7.593 16.897 ( -7.946 -5.959 0.000) 9.932 17.113 ( 2.577 -2.864 0.000) 3.853 17.205 ( -6.610 -2.977 0.000) 7.249 17.520 ( 7.010 2.067 0.000) 7.309 17.607 ( 2.177 2.048 0.000) 2.989 17.798 ( 3.495 7.806 0.000) 8.552 17.964 ( -9.512 3.652 0.000) 10.189 18.241 ( 2.668 3.196 0.000) 4.164 18.273 ( -0.600 1.483 0.000) 1.600 18.776 ( 0.294 -1.560 0.000) 1.588 18.783 ( -0.346 -1.501 0.000) 1.540 19.310 ( 1.221 11.815 0.000) 11.878 19.357 ( -2.787 12.460 0.000) 12.768 19.448 ( 0.843 10.566 0.000) 10.599 19.479 ( -1.785 12.285 0.000) 12.414 20.339 ( 0.290 8.959 0.000) 8.963 20.355 ( -1.119 8.348 0.000) 8.422 20.595 ( 4.196 1.062 0.000) 4.328 20.686 ( -4.064 2.709 0.000) 4.884 21.553 ( 0.864 1.592 0.000) 1.811 21.572 ( -0.699 2.611 0.000) 2.703 21.776 ( -0.298 -0.339 0.000) 0.451 21.810 ( -3.238 -1.560 0.000) 3.594 22.206 ( 0.123 -0.132 0.000) 0.180 22.207 ( 0.027 -0.180 0.000) 0.182 22.344 ( 8.564 0.831 0.000) 8.604 22.515 ( -3.076 -1.810 0.000) 3.569 22.594 ( 1.874 -1.290 0.000) 2.275 22.712 ( -5.041 -2.110 0.000) 5.465 23.091 ( 1.750 1.442 0.000) 2.268 23.132 ( -2.652 0.679 0.000) 2.737 23.245 ( 3.514 5.824 0.000) 6.802 23.317 ( -2.098 6.281 0.000) 6.622 23.360 ( 2.949 3.649 0.000) 4.692 23.408 ( -0.831 7.105 0.000) 7.154 23.590 ( 2.107 6.555 0.000) 6.885 23.639 ( -1.773 9.522 0.000) 9.686 23.752 ( -0.744 8.998 0.000) 9.029 23.785 ( -3.032 9.278 0.000) 9.761 23.843 ( 1.650 7.602 0.000) 7.779 23.885 ( -1.373 7.406 0.000) 7.532 24.071 ( 1.929 4.245 0.000) 4.662 24.116 ( -2.180 6.004 0.000) 6.387 24.174 ( 2.635 4.235 0.000) 4.988 24.219 ( -0.941 3.266 0.000) 3.399 24.467 ( 2.926 -3.829 0.000) 4.819 24.526 ( -1.857 -1.803 0.000) 2.588 24.693 ( 1.169 -0.967 0.000) 1.517 24.716 ( -1.184 -2.515 0.000) 2.780 25.024 ( 0.740 -2.535 0.000) 2.640 25.047 ( -1.371 -2.960 0.000) 3.261 25.246 ( 2.333 0.572 0.000) 2.402 25.308 ( -3.223 -2.029 0.000) 3.808 25.646 ( 7.331 1.656 0.000) 7.516 25.890 ( -16.959 1.609 0.000) 17.035 26.292 ( 6.465 -6.438 0.000) 9.124 26.418 ( -5.081 -8.166 0.000) 9.618 26.775 ( 13.409 -16.625 0.000) 21.359 26.958 ( -5.394 -18.443 0.000) 19.216 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 8.312 0.000) 8.312 2.138 ( 0.000 28.513 0.000) 28.513 2.246 ( 0.000 30.620 0.000) 30.620 2.331 ( 0.000 0.861 0.000) 0.861 2.472 ( 0.000 3.332 0.000) 3.332 2.550 ( 0.000 0.017 0.000) 0.017 2.769 ( 0.000 -9.958 0.000) 9.958 2.802 ( 0.000 10.217 0.000) 10.217 2.862 ( 0.000 -6.078 0.000) 6.078 2.990 ( 0.000 1.697 0.000) 1.697 3.073 ( 0.000 8.757 0.000) 8.757 3.153 ( 0.000 1.815 0.000) 1.815 3.202 ( 0.000 0.239 0.000) 0.239 3.348 ( 0.000 4.485 0.000) 4.485 3.424 ( 0.000 3.268 0.000) 3.268 3.526 ( 0.000 2.058 0.000) 2.058 3.570 ( 0.000 -3.928 0.000) 3.928 3.649 ( 0.000 11.546 0.000) 11.546 3.739 ( 0.000 -3.754 0.000) 3.754 3.806 ( 0.000 -0.382 0.000) 0.382 3.814 ( 0.000 -3.599 0.000) 3.599 3.825 ( 0.000 -0.735 0.000) 0.735 3.987 ( 0.000 8.776 0.000) 8.776 4.165 ( 0.000 1.611 0.000) 1.611 4.197 ( 0.000 0.436 0.000) 0.436 4.204 ( 0.000 0.433 0.000) 0.433 4.242 ( 0.000 -1.120 0.000) 1.120 4.254 ( 0.000 -0.226 0.000) 0.226 4.378 ( 0.000 -1.909 0.000) 1.909 4.396 ( 0.000 -0.122 0.000) 0.122 4.413 ( 0.000 1.177 0.000) 1.177 4.554 ( 0.000 3.621 0.000) 3.621 4.557 ( 0.000 -10.159 0.000) 10.159 4.631 ( 0.000 11.995 0.000) 11.995 4.734 ( 0.000 3.093 0.000) 3.093 4.768 ( 0.000 -2.718 0.000) 2.718 4.839 ( 0.000 4.473 0.000) 4.473 4.870 ( 0.000 8.895 0.000) 8.895 5.011 ( 0.000 1.694 0.000) 1.694 5.052 ( 0.000 0.204 0.000) 0.204 5.158 ( 0.000 -1.731 0.000) 1.731 5.180 ( 0.000 -3.063 0.000) 3.063 5.261 ( 0.000 -4.847 0.000) 4.847 5.274 ( 0.000 -0.519 0.000) 0.519 5.333 ( 0.000 -7.306 0.000) 7.306 5.404 ( 0.000 4.927 0.000) 4.927 5.458 ( 0.000 -2.442 0.000) 2.442 5.498 ( 0.000 -0.319 0.000) 0.319 5.521 ( 0.000 1.885 0.000) 1.885 5.576 ( 0.000 -3.551 0.000) 3.551 5.659 ( 0.000 -3.308 0.000) 3.308 5.745 ( 0.000 -1.941 0.000) 1.941 5.833 ( 0.000 -3.610 0.000) 3.610 5.979 ( 0.000 1.762 0.000) 1.762 6.039 ( 0.000 -7.674 0.000) 7.674 6.098 ( 0.000 1.389 0.000) 1.389 6.162 ( 0.000 8.563 0.000) 8.563 6.177 ( 0.000 1.769 0.000) 1.769 6.221 ( 0.000 0.580 0.000) 0.580 6.347 ( 0.000 -10.075 0.000) 10.075 6.362 ( 0.000 -3.556 0.000) 3.556 6.395 ( 0.000 -7.276 0.000) 7.276 6.502 ( 0.000 -8.234 0.000) 8.234 6.535 ( 0.000 -4.432 0.000) 4.432 6.679 ( 0.000 -11.201 0.000) 11.201 6.736 ( 0.000 4.213 0.000) 4.213 6.775 ( 0.000 -5.757 0.000) 5.757 6.848 ( 0.000 -3.060 0.000) 3.060 6.889 ( 0.000 -1.729 0.000) 1.729 6.901 ( 0.000 -6.990 0.000) 6.990 6.967 ( 0.000 -2.611 0.000) 2.611 6.986 ( 0.000 -5.040 0.000) 5.040 7.056 ( 0.000 -6.753 0.000) 6.753 7.225 ( 0.000 -4.849 0.000) 4.849 7.258 ( 0.000 -2.511 0.000) 2.511 7.354 ( 0.000 1.415 0.000) 1.415 7.432 ( 0.000 -7.389 0.000) 7.389 7.495 ( 0.000 -9.015 0.000) 9.015 7.537 ( 0.000 -2.999 0.000) 2.999 7.572 ( 0.000 5.596 0.000) 5.596 7.613 ( 0.000 4.341 0.000) 4.341 7.771 ( 0.000 -11.685 0.000) 11.685 7.818 ( 0.000 -5.760 0.000) 5.760 7.874 ( 0.000 -3.038 0.000) 3.038 7.898 ( 0.000 -12.125 0.000) 12.125 7.915 ( 0.000 -0.476 0.000) 0.476 8.015 ( 0.000 -0.608 0.000) 0.608 8.098 ( 0.000 -6.409 0.000) 6.409 8.121 ( 0.000 1.155 0.000) 1.155 8.200 ( 0.000 -3.701 0.000) 3.701 8.235 ( 0.000 -2.396 0.000) 2.396 8.389 ( 0.000 -0.093 0.000) 0.093 8.451 ( 0.000 -0.309 0.000) 0.309 8.617 ( 0.000 4.615 0.000) 4.615 8.674 ( 0.000 5.473 0.000) 5.473 8.680 ( 0.000 -1.327 0.000) 1.327 8.727 ( 0.000 0.410 0.000) 0.410 8.858 ( 0.000 2.418 0.000) 2.418 8.866 ( 0.000 4.683 0.000) 4.683 8.905 ( 0.000 -0.869 0.000) 0.869 9.099 ( 0.000 -3.140 0.000) 3.140 9.105 ( 0.000 -3.050 0.000) 3.050 9.255 ( 0.000 3.985 0.000) 3.985 9.368 ( 0.000 5.134 0.000) 5.134 9.388 ( 0.000 -4.821 0.000) 4.821 9.534 ( 0.000 0.443 0.000) 0.443 9.563 ( 0.000 3.078 0.000) 3.078 9.626 ( 0.000 -0.387 0.000) 0.387 9.762 ( 0.000 3.916 0.000) 3.916 9.883 ( 0.000 -1.106 0.000) 1.106 10.188 ( 0.000 -0.417 0.000) 0.417 10.202 ( 0.000 -13.960 0.000) 13.960 10.268 ( 0.000 -5.897 0.000) 5.897 10.313 ( 0.000 6.318 0.000) 6.318 10.387 ( 0.000 -12.418 0.000) 12.418 10.463 ( 0.000 0.325 0.000) 0.325 10.753 ( 0.000 -2.188 0.000) 2.188 10.911 ( 0.000 -2.143 0.000) 2.143 11.084 ( 0.000 4.842 0.000) 4.842 11.125 ( 0.000 -15.406 0.000) 15.406 11.324 ( 0.000 -5.606 0.000) 5.606 11.347 ( 0.000 -0.009 0.000) 0.009 11.545 ( 0.000 -1.898 0.000) 1.898 11.622 ( 0.000 -5.565 0.000) 5.565 11.725 ( 0.000 -4.979 0.000) 4.979 11.842 ( 0.000 -2.146 0.000) 2.146 11.921 ( 0.000 0.829 0.000) 0.829 12.145 ( 0.000 -3.357 0.000) 3.357 12.355 ( 0.000 -0.502 0.000) 0.502 12.468 ( 0.000 1.746 0.000) 1.746 12.484 ( 0.000 2.070 0.000) 2.070 12.595 ( 0.000 -6.056 0.000) 6.056 12.596 ( 0.000 5.104 0.000) 5.104 12.813 ( 0.000 -9.567 0.000) 9.567 12.905 ( 0.000 -12.897 0.000) 12.897 12.905 ( 0.000 -4.043 0.000) 4.043 13.116 ( 0.000 -4.337 0.000) 4.337 13.140 ( 0.000 -1.989 0.000) 1.989 13.324 ( 0.000 -7.102 0.000) 7.102 13.465 ( 0.000 1.724 0.000) 1.724 13.638 ( 0.000 2.957 0.000) 2.957 13.783 ( 0.000 0.120 0.000) 0.120 13.814 ( 0.000 -4.535 0.000) 4.535 13.857 ( 0.000 -2.531 0.000) 2.531 14.022 ( 0.000 -7.649 0.000) 7.649 14.121 ( 0.000 1.386 0.000) 1.386 14.142 ( 0.000 -7.503 0.000) 7.503 14.270 ( 0.000 1.010 0.000) 1.010 15.114 ( 0.000 -3.955 0.000) 3.955 15.352 ( 0.000 -1.209 0.000) 1.209 15.384 ( 0.000 -0.463 0.000) 0.463 15.469 ( 0.000 2.239 0.000) 2.239 16.155 ( 0.000 -0.821 0.000) 0.821 16.201 ( 0.000 0.612 0.000) 0.612 16.378 ( 0.000 1.484 0.000) 1.484 16.433 ( 0.000 0.304 0.000) 0.304 16.648 ( 0.000 -2.200 0.000) 2.200 16.945 ( 0.000 -6.314 0.000) 6.314 16.984 ( 0.000 -0.354 0.000) 0.354 17.231 ( 0.000 -3.624 0.000) 3.624 17.447 ( 0.000 0.849 0.000) 0.849 17.531 ( 0.000 -0.048 0.000) 0.048 17.975 ( 0.000 7.390 0.000) 7.390 18.138 ( 0.000 3.364 0.000) 3.364 18.302 ( 0.000 2.073 0.000) 2.073 18.344 ( 0.000 8.581 0.000) 8.581 18.741 ( 0.000 -1.605 0.000) 1.605 18.767 ( 0.000 -0.480 0.000) 0.480 19.475 ( 0.000 4.090 0.000) 4.090 19.527 ( 0.000 10.658 0.000) 10.658 19.710 ( 0.000 8.298 0.000) 8.298 19.722 ( 0.000 12.920 0.000) 12.920 20.467 ( 0.000 0.820 0.000) 0.820 20.495 ( 0.000 4.541 0.000) 4.541 20.550 ( 0.000 3.629 0.000) 3.629 20.751 ( 0.000 -1.013 0.000) 1.013 21.568 ( 0.000 1.275 0.000) 1.275 21.628 ( 0.000 2.258 0.000) 2.258 21.771 ( 0.000 -1.356 0.000) 1.356 21.785 ( 0.000 -3.159 0.000) 3.159 22.201 ( 0.000 -0.188 0.000) 0.188 22.203 ( 0.000 -0.226 0.000) 0.226 22.302 ( 0.000 1.994 0.000) 1.994 22.482 ( 0.000 1.722 0.000) 1.722 22.583 ( 0.000 -3.573 0.000) 3.573 22.734 ( 0.000 -0.713 0.000) 0.713 23.091 ( 0.000 0.134 0.000) 0.134 23.147 ( 0.000 -1.839 0.000) 1.839 23.306 ( 0.000 1.254 0.000) 1.254 23.343 ( 0.000 4.718 0.000) 4.718 23.450 ( 0.000 1.720 0.000) 1.720 23.559 ( 0.000 5.261 0.000) 5.261 23.655 ( 0.000 4.135 0.000) 4.135 23.799 ( 0.000 4.842 0.000) 4.842 23.885 ( 0.000 4.131 0.000) 4.131 23.943 ( 0.000 6.887 0.000) 6.887 23.995 ( 0.000 6.114 0.000) 6.114 24.084 ( 0.000 7.306 0.000) 7.306 24.158 ( 0.000 8.468 0.000) 8.468 24.214 ( 0.000 -0.708 0.000) 0.708 24.255 ( 0.000 1.430 0.000) 1.430 24.276 ( 0.000 5.290 0.000) 5.290 24.369 ( 0.000 -0.149 0.000) 0.149 24.593 ( 0.000 7.509 0.000) 7.509 24.711 ( 0.000 0.817 0.000) 0.817 24.779 ( 0.000 8.859 0.000) 8.859 24.936 ( 0.000 -4.816 0.000) 4.816 24.977 ( 0.000 -3.660 0.000) 3.660 25.287 ( 0.000 3.750 0.000) 3.750 25.321 ( 0.000 1.385 0.000) 1.385 25.579 ( 0.000 -0.750 0.000) 0.750 26.039 ( 0.000 -7.360 0.000) 7.360 26.116 ( 0.000 -6.036 0.000) 6.036 26.277 ( 0.000 -8.772 0.000) 8.772 26.354 ( 0.000 -9.616 0.000) 9.616 26.663 ( 0.000 -16.301 0.000) 16.301 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 4.606 5.821 0.000) 7.423 2.211 ( -5.326 7.851 0.000) 9.487 2.298 ( 5.609 23.357 0.000) 24.021 2.357 ( 10.967 14.964 0.000) 18.553 2.410 ( -2.172 11.894 0.000) 12.090 2.595 ( -2.664 -3.878 0.000) 4.704 2.653 ( -0.106 3.020 0.000) 3.021 2.774 ( -4.660 -3.738 0.000) 5.974 2.841 ( -1.814 5.799 0.000) 6.076 3.029 ( -6.217 6.968 0.000) 9.338 3.069 ( -1.602 0.590 0.000) 1.707 3.144 ( -0.112 1.970 0.000) 1.973 3.265 ( 6.630 1.171 0.000) 6.733 3.356 ( 2.675 -0.581 0.000) 2.737 3.440 ( 4.390 2.045 0.000) 4.843 3.479 ( 2.942 5.622 0.000) 6.346 3.550 ( -3.105 0.786 0.000) 3.203 3.597 ( -4.221 3.854 0.000) 5.715 3.657 ( -2.090 -3.978 0.000) 4.493 3.724 ( -3.954 2.268 0.000) 4.558 3.879 ( -1.702 2.952 0.000) 3.408 3.976 ( -0.016 0.117 0.000) 0.118 4.023 ( -3.911 0.075 0.000) 3.911 4.092 ( 8.452 2.151 0.000) 8.721 4.128 ( -1.379 -2.743 0.000) 3.070 4.148 ( -4.662 -0.143 0.000) 4.664 4.298 ( 1.800 -1.609 0.000) 2.414 4.310 ( 2.002 -2.460 0.000) 3.172 4.409 ( 0.885 1.947 0.000) 2.139 4.425 ( 6.252 2.338 0.000) 6.675 4.508 ( 1.627 3.092 0.000) 3.494 4.533 ( 7.170 0.466 0.000) 7.185 4.632 ( 3.053 3.235 0.000) 4.448 4.678 ( 0.285 8.342 0.000) 8.347 4.734 ( -2.436 1.452 0.000) 2.836 4.753 ( -3.875 1.003 0.000) 4.003 4.835 ( 1.255 -4.632 0.000) 4.799 4.901 ( 3.109 9.129 0.000) 9.644 4.999 ( -1.942 2.527 0.000) 3.187 5.040 ( 1.447 -0.492 0.000) 1.528 5.087 ( -2.827 -0.317 0.000) 2.845 5.132 ( -7.381 2.216 0.000) 7.706 5.193 ( -0.166 -4.821 0.000) 4.823 5.251 ( -5.306 -6.232 0.000) 8.185 5.302 ( -4.239 8.521 0.000) 9.517 5.321 ( -4.790 2.214 0.000) 5.277 5.416 ( 3.315 -6.194 0.000) 7.026 5.466 ( -1.397 -4.855 0.000) 5.052 5.524 ( 2.545 -1.970 0.000) 3.218 5.586 ( -1.649 -1.376 0.000) 2.148 5.785 ( 3.439 -1.017 0.000) 3.587 5.813 ( 1.344 1.176 0.000) 1.786 5.816 ( 5.744 2.026 0.000) 6.090 5.930 ( -6.649 -4.958 0.000) 8.294 6.025 ( 0.690 -4.042 0.000) 4.101 6.048 ( -3.296 -6.276 0.000) 7.089 6.113 ( 2.396 -0.131 0.000) 2.400 6.236 ( -0.309 -2.036 0.000) 2.060 6.269 ( -0.618 0.826 0.000) 1.031 6.335 ( -1.447 -4.490 0.000) 4.717 6.383 ( 2.440 -2.817 0.000) 3.727 6.400 ( 1.555 -5.596 0.000) 5.808 6.480 ( 1.463 -3.451 0.000) 3.748 6.569 ( 0.789 -5.407 0.000) 5.465 6.681 ( -0.771 -12.710 0.000) 12.733 6.725 ( -5.795 -6.977 0.000) 9.069 6.766 ( -0.273 -8.654 0.000) 8.658 6.784 ( -0.507 -6.274 0.000) 6.295 6.868 ( 2.661 4.371 0.000) 5.117 6.908 ( 0.613 0.955 0.000) 1.134 7.016 ( 2.583 -3.926 0.000) 4.700 7.051 ( -0.009 -4.104 0.000) 4.104 7.100 ( 5.787 -5.556 0.000) 8.023 7.177 ( 0.348 -2.885 0.000) 2.906 7.233 ( -6.474 -4.283 0.000) 7.763 7.292 ( -6.267 -6.168 0.000) 8.793 7.438 ( 6.135 -6.224 0.000) 8.739 7.514 ( -0.975 -4.202 0.000) 4.314 7.582 ( 2.513 2.740 0.000) 3.718 7.624 ( 1.833 -0.510 0.000) 1.903 7.655 ( 3.136 -3.450 0.000) 4.662 7.700 ( 0.525 -5.319 0.000) 5.345 7.728 ( -6.069 -3.672 0.000) 7.093 7.808 ( -4.704 -7.449 0.000) 8.810 7.990 ( 4.837 -5.015 0.000) 6.967 8.018 ( 0.874 -2.238 0.000) 2.403 8.069 ( 5.292 -3.233 0.000) 6.201 8.125 ( -1.204 -3.244 0.000) 3.460 8.139 ( 2.946 -1.575 0.000) 3.341 8.220 ( -0.256 0.215 0.000) 0.334 8.281 ( 8.864 -2.593 0.000) 9.236 8.364 ( -1.427 -0.424 0.000) 1.489 8.462 ( -0.379 -0.448 0.000) 0.587 8.563 ( -6.294 1.304 0.000) 6.428 8.569 ( -0.773 2.366 0.000) 2.489 8.669 ( -7.297 1.408 0.000) 7.432 8.785 ( 1.372 3.262 0.000) 3.539 8.830 ( 3.187 3.838 0.000) 4.988 8.850 ( 2.758 3.450 0.000) 4.417 8.971 ( 5.604 -2.363 0.000) 6.082 9.067 ( -2.971 -2.137 0.000) 3.660 9.081 ( -12.553 1.223 0.000) 12.612 9.242 ( 6.313 -0.295 0.000) 6.320 9.343 ( -3.595 -0.246 0.000) 3.604 9.440 ( 3.085 1.242 0.000) 3.325 9.503 ( -0.722 0.369 0.000) 0.811 9.515 ( 2.124 -0.018 0.000) 2.124 9.689 ( -7.151 2.439 0.000) 7.556 9.724 ( 5.828 1.145 0.000) 5.940 9.875 ( -7.283 1.325 0.000) 7.403 10.065 ( 3.016 -7.045 0.000) 7.663 10.174 ( -4.028 -4.710 0.000) 6.197 10.318 ( 0.866 -1.474 0.000) 1.709 10.353 ( -0.958 -2.741 0.000) 2.903 10.410 ( 3.610 -7.314 0.000) 8.156 10.461 ( -0.618 -3.160 0.000) 3.220 10.815 ( 6.866 -3.975 0.000) 7.934 10.931 ( 0.133 -2.492 0.000) 2.496 11.052 ( -2.782 3.849 0.000) 4.749 11.095 ( -8.481 0.750 0.000) 8.514 11.283 ( 10.409 -10.428 0.000) 14.734 11.457 ( -0.917 -5.784 0.000) 5.857 11.577 ( 1.745 -0.986 0.000) 2.004 11.621 ( -5.149 -4.256 0.000) 6.680 11.730 ( 8.626 -6.380 0.000) 10.729 11.824 ( 2.554 -2.908 0.000) 3.871 11.898 ( -3.249 -1.309 0.000) 3.502 12.005 ( -13.259 -2.092 0.000) 13.423 12.392 ( 8.146 -6.312 0.000) 10.306 12.505 ( 2.277 3.345 0.000) 4.047 12.554 ( -1.354 5.035 0.000) 5.213 12.596 ( -5.524 -8.553 0.000) 10.182 12.685 ( 4.420 -1.281 0.000) 4.602 12.758 ( 11.859 -6.645 0.000) 13.594 12.878 ( -8.371 -1.216 0.000) 8.459 12.942 ( -3.330 -7.554 0.000) 8.256 13.032 ( 2.818 -8.133 0.000) 8.607 13.105 ( -6.296 -2.722 0.000) 6.860 13.387 ( 7.210 -3.195 0.000) 7.886 13.534 ( -4.387 0.481 0.000) 4.413 13.599 ( 5.188 -0.454 0.000) 5.208 13.736 ( -5.288 -1.060 0.000) 5.393 13.844 ( 1.645 -3.687 0.000) 4.037 13.858 ( 0.340 -1.755 0.000) 1.787 13.988 ( -0.467 -4.213 0.000) 4.239 14.046 ( -5.428 -4.056 0.000) 6.776 14.213 ( 5.545 -1.568 0.000) 5.762 14.287 ( -1.030 -1.300 0.000) 1.658 15.152 ( 3.939 -2.668 0.000) 4.757 15.257 ( -5.913 -1.106 0.000) 6.016 15.442 ( 2.652 -0.591 0.000) 2.717 15.472 ( -0.299 0.474 0.000) 0.560 16.178 ( 1.822 -0.515 0.000) 1.893 16.203 ( -0.295 0.191 0.000) 0.351 16.387 ( 1.089 1.581 0.000) 1.920 16.417 ( -1.505 0.896 0.000) 1.752 16.670 ( 3.044 -3.333 0.000) 4.514 16.789 ( -8.473 -4.732 0.000) 9.705 17.076 ( 3.974 -1.121 0.000) 4.129 17.159 ( -4.725 -1.869 0.000) 5.081 17.536 ( 6.974 -0.058 0.000) 6.974 17.607 ( 2.466 -1.548 0.000) 2.912 17.952 ( 0.319 7.166 0.000) 7.173 18.048 ( -7.160 4.597 0.000) 8.509 18.318 ( 2.284 4.042 0.000) 4.642 18.358 ( -0.637 6.336 0.000) 6.368 18.746 ( 0.445 -1.459 0.000) 1.525 18.758 ( -0.732 -0.933 0.000) 1.186 19.511 ( 4.272 7.889 0.000) 8.972 19.575 ( 2.402 9.943 0.000) 10.229 19.655 ( -4.554 10.201 0.000) 11.172 19.676 ( -3.020 8.305 0.000) 8.837 20.474 ( 1.088 4.142 0.000) 4.282 20.501 ( -1.100 6.168 0.000) 6.265 20.595 ( 5.050 -0.418 0.000) 5.068 20.702 ( -4.625 -0.971 0.000) 4.726 21.585 ( 1.531 1.523 0.000) 2.159 21.617 ( -1.245 2.008 0.000) 2.363 21.761 ( -0.286 -1.078 0.000) 1.115 21.771 ( -1.069 -2.110 0.000) 2.365 22.202 ( 0.085 -0.238 0.000) 0.252 22.203 ( 0.014 -0.233 0.000) 0.233 22.359 ( 5.622 0.729 0.000) 5.669 22.487 ( -5.215 -1.159 0.000) 5.342 22.577 ( 4.749 -0.347 0.000) 4.762 22.687 ( -4.604 -0.591 0.000) 4.642 23.100 ( 0.789 -0.433 0.000) 0.900 23.124 ( -1.622 -1.156 0.000) 1.991 23.329 ( 3.333 2.420 0.000) 4.119 23.407 ( -2.839 2.350 0.000) 3.686 23.421 ( 4.305 2.772 0.000) 5.120 23.513 ( -3.876 3.895 0.000) 5.495 23.699 ( 3.627 4.618 0.000) 5.872 23.773 ( -3.013 4.876 0.000) 5.732 23.887 ( 1.201 5.062 0.000) 5.202 23.933 ( -2.697 5.770 0.000) 6.370 23.995 ( 2.733 6.410 0.000) 6.968 24.065 ( -3.078 8.018 0.000) 8.589 24.151 ( 1.039 3.652 0.000) 3.797 24.189 ( -2.100 1.931 0.000) 2.853 24.278 ( 2.962 3.799 0.000) 4.817 24.328 ( -0.871 6.770 0.000) 6.825 24.410 ( 6.736 -0.978 0.000) 6.807 24.550 ( -5.408 4.202 0.000) 6.848 24.715 ( 1.813 3.915 0.000) 4.315 24.762 ( -1.937 7.849 0.000) 8.085 24.937 ( 0.350 -4.872 0.000) 4.885 24.956 ( -1.464 -4.586 0.000) 4.814 25.296 ( 0.991 3.371 0.000) 3.514 25.319 ( -0.834 2.306 0.000) 2.452 25.654 ( 7.822 -0.674 0.000) 7.851 25.868 ( -12.451 -2.963 0.000) 12.799 26.156 ( 4.651 -7.197 0.000) 8.569 26.249 ( -3.799 -8.655 0.000) 9.452 26.486 ( 8.686 -13.050 0.000) 15.677 26.619 ( -4.438 -15.602 0.000) 16.221 ======================= Grid point 12 (9/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 5.595 0.000) 5.595 2.283 ( 0.000 -3.686 0.000) 3.686 2.329 ( 0.000 -13.170 0.000) 13.170 2.532 ( 0.000 1.207 0.000) 1.207 2.546 ( 0.000 -0.976 0.000) 0.976 2.627 ( 0.000 9.895 0.000) 9.895 2.783 ( 0.000 18.164 0.000) 18.164 2.893 ( 0.000 7.700 0.000) 7.700 2.953 ( 0.000 5.071 0.000) 5.071 3.041 ( 0.000 -7.755 0.000) 7.755 3.066 ( 0.000 3.468 0.000) 3.468 3.206 ( 0.000 5.658 0.000) 5.658 3.291 ( 0.000 -6.889 0.000) 6.889 3.316 ( 0.000 10.890 0.000) 10.890 3.487 ( 0.000 5.744 0.000) 5.744 3.540 ( 0.000 0.195 0.000) 0.195 3.600 ( 0.000 1.417 0.000) 1.417 3.690 ( 0.000 -6.764 0.000) 6.764 3.722 ( 0.000 7.183 0.000) 7.183 3.744 ( 0.000 -2.623 0.000) 2.623 3.791 ( 0.000 -2.061 0.000) 2.061 3.879 ( 0.000 6.780 0.000) 6.780 4.050 ( 0.000 -11.245 0.000) 11.245 4.151 ( 0.000 -7.575 0.000) 7.575 4.161 ( 0.000 0.462 0.000) 0.462 4.196 ( 0.000 1.541 0.000) 1.541 4.207 ( 0.000 -9.140 0.000) 9.140 4.247 ( 0.000 1.295 0.000) 1.295 4.294 ( 0.000 -0.223 0.000) 0.223 4.395 ( 0.000 0.458 0.000) 0.458 4.433 ( 0.000 1.652 0.000) 1.652 4.491 ( 0.000 4.280 0.000) 4.280 4.537 ( 0.000 -1.695 0.000) 1.695 4.673 ( 0.000 -4.254 0.000) 4.254 4.733 ( 0.000 2.588 0.000) 2.588 4.838 ( 0.000 4.466 0.000) 4.466 4.914 ( 0.000 -0.765 0.000) 0.765 4.964 ( 0.000 -5.123 0.000) 5.123 5.048 ( 0.000 -4.014 0.000) 4.014 5.099 ( 0.000 -3.212 0.000) 3.212 5.100 ( 0.000 1.558 0.000) 1.558 5.195 ( 0.000 4.973 0.000) 4.973 5.221 ( 0.000 1.261 0.000) 1.261 5.248 ( 0.000 7.498 0.000) 7.498 5.299 ( 0.000 -0.100 0.000) 0.100 5.411 ( 0.000 -1.581 0.000) 1.581 5.480 ( 0.000 3.166 0.000) 3.166 5.497 ( 0.000 0.302 0.000) 0.302 5.561 ( 0.000 -1.144 0.000) 1.144 5.592 ( 0.000 3.582 0.000) 3.582 5.653 ( 0.000 0.018 0.000) 0.018 5.733 ( 0.000 3.226 0.000) 3.226 5.734 ( 0.000 -7.004 0.000) 7.004 5.872 ( 0.000 -6.970 0.000) 6.970 5.935 ( 0.000 -4.601 0.000) 4.601 6.053 ( 0.000 -4.498 0.000) 4.498 6.174 ( 0.000 -2.039 0.000) 2.039 6.219 ( 0.000 -6.209 0.000) 6.209 6.257 ( 0.000 0.641 0.000) 0.641 6.304 ( 0.000 -4.231 0.000) 4.231 6.318 ( 0.000 8.016 0.000) 8.016 6.364 ( 0.000 1.499 0.000) 1.499 6.422 ( 0.000 3.275 0.000) 3.275 6.470 ( 0.000 -7.112 0.000) 7.112 6.482 ( 0.000 4.623 0.000) 4.623 6.605 ( 0.000 -4.118 0.000) 4.118 6.656 ( 0.000 -7.202 0.000) 7.202 6.718 ( 0.000 -10.156 0.000) 10.156 6.792 ( 0.000 -5.139 0.000) 5.139 6.804 ( 0.000 -6.240 0.000) 6.240 6.889 ( 0.000 -3.847 0.000) 3.847 7.030 ( 0.000 4.496 0.000) 4.496 7.126 ( 0.000 1.516 0.000) 1.516 7.133 ( 0.000 -4.198 0.000) 4.198 7.255 ( 0.000 -0.782 0.000) 0.782 7.276 ( 0.000 -5.901 0.000) 5.901 7.365 ( 0.000 0.438 0.000) 0.438 7.400 ( 0.000 0.352 0.000) 0.352 7.548 ( 0.000 4.605 0.000) 4.605 7.569 ( 0.000 -11.888 0.000) 11.888 7.653 ( 0.000 0.154 0.000) 0.154 7.674 ( 0.000 -0.629 0.000) 0.629 7.718 ( 0.000 2.475 0.000) 2.475 7.776 ( 0.000 2.061 0.000) 2.061 7.878 ( 0.000 2.671 0.000) 2.671 7.934 ( 0.000 1.126 0.000) 1.126 8.007 ( 0.000 -2.059 0.000) 2.059 8.024 ( 0.000 -0.961 0.000) 0.961 8.169 ( 0.000 3.260 0.000) 3.260 8.175 ( 0.000 2.713 0.000) 2.713 8.251 ( 0.000 2.154 0.000) 2.154 8.377 ( 0.000 -1.951 0.000) 1.951 8.458 ( 0.000 0.776 0.000) 0.776 8.665 ( 0.000 0.843 0.000) 0.843 8.720 ( 0.000 5.569 0.000) 5.569 8.731 ( 0.000 -0.029 0.000) 0.029 8.828 ( 0.000 6.482 0.000) 6.482 8.852 ( 0.000 0.365 0.000) 0.365 8.941 ( 0.000 -1.403 0.000) 1.403 8.946 ( 0.000 4.454 0.000) 4.454 9.080 ( 0.000 1.986 0.000) 1.986 9.086 ( 0.000 4.956 0.000) 4.956 9.290 ( 0.000 -4.594 0.000) 4.594 9.334 ( 0.000 2.375 0.000) 2.375 9.446 ( 0.000 2.902 0.000) 2.902 9.514 ( 0.000 -1.812 0.000) 1.812 9.570 ( 0.000 -3.476 0.000) 3.476 9.637 ( 0.000 2.020 0.000) 2.020 9.785 ( 0.000 -1.633 0.000) 1.633 9.802 ( 0.000 -6.122 0.000) 6.122 9.860 ( 0.000 -17.736 0.000) 17.736 10.093 ( 0.000 -12.332 0.000) 12.332 10.190 ( 0.000 -1.169 0.000) 1.169 10.199 ( 0.000 -2.553 0.000) 2.553 10.464 ( 0.000 6.553 0.000) 6.553 10.466 ( 0.000 0.262 0.000) 0.262 10.714 ( 0.000 -0.521 0.000) 0.521 10.770 ( 0.000 -13.518 0.000) 13.518 10.910 ( 0.000 -1.970 0.000) 1.970 11.106 ( 0.000 -10.630 0.000) 10.630 11.261 ( 0.000 6.713 0.000) 6.713 11.288 ( 0.000 -4.767 0.000) 4.767 11.517 ( 0.000 -4.845 0.000) 4.845 11.560 ( 0.000 0.858 0.000) 0.858 11.679 ( 0.000 0.907 0.000) 0.907 11.846 ( 0.000 3.608 0.000) 3.608 11.892 ( 0.000 -2.623 0.000) 2.623 12.100 ( 0.000 -1.371 0.000) 1.371 12.268 ( 0.000 -9.102 0.000) 9.102 12.467 ( 0.000 -0.289 0.000) 0.289 12.529 ( 0.000 2.134 0.000) 2.134 12.546 ( 0.000 -0.092 0.000) 0.092 12.635 ( 0.000 -7.685 0.000) 7.685 12.665 ( 0.000 0.559 0.000) 0.559 12.721 ( 0.000 -3.382 0.000) 3.382 12.842 ( 0.000 -2.427 0.000) 2.427 13.071 ( 0.000 -0.321 0.000) 0.321 13.129 ( 0.000 0.239 0.000) 0.239 13.209 ( 0.000 -4.561 0.000) 4.561 13.493 ( 0.000 0.780 0.000) 0.780 13.684 ( 0.000 1.653 0.000) 1.653 13.742 ( 0.000 -1.629 0.000) 1.629 13.802 ( 0.000 1.130 0.000) 1.130 13.814 ( 0.000 -2.829 0.000) 2.829 13.926 ( 0.000 -2.163 0.000) 2.163 14.016 ( 0.000 -5.022 0.000) 5.022 14.144 ( 0.000 0.820 0.000) 0.820 14.303 ( 0.000 1.923 0.000) 1.923 15.042 ( 0.000 -2.926 0.000) 2.926 15.331 ( 0.000 -0.749 0.000) 0.749 15.377 ( 0.000 -0.331 0.000) 0.331 15.513 ( 0.000 1.905 0.000) 1.905 16.141 ( 0.000 -0.587 0.000) 0.587 16.213 ( 0.000 0.609 0.000) 0.609 16.407 ( 0.000 1.214 0.000) 1.214 16.448 ( 0.000 0.877 0.000) 0.877 16.625 ( 0.000 -0.467 0.000) 0.467 16.853 ( 0.000 -3.100 0.000) 3.100 16.979 ( 0.000 -0.190 0.000) 0.190 17.178 ( 0.000 -1.826 0.000) 1.826 17.462 ( 0.000 0.800 0.000) 0.800 17.512 ( 0.000 -1.474 0.000) 1.474 18.085 ( 0.000 3.800 0.000) 3.800 18.206 ( 0.000 3.021 0.000) 3.021 18.342 ( 0.000 1.684 0.000) 1.684 18.479 ( 0.000 4.648 0.000) 4.648 18.715 ( 0.000 -1.022 0.000) 1.022 18.772 ( 0.000 0.847 0.000) 0.847 19.544 ( 0.000 2.830 0.000) 2.830 19.702 ( 0.000 6.763 0.000) 6.763 19.826 ( 0.000 3.737 0.000) 3.737 19.934 ( 0.000 8.223 0.000) 8.223 20.429 ( 0.000 -2.485 0.000) 2.485 20.547 ( 0.000 1.125 0.000) 1.125 20.638 ( 0.000 3.528 0.000) 3.528 20.707 ( 0.000 -2.862 0.000) 2.862 21.591 ( 0.000 1.009 0.000) 1.009 21.668 ( 0.000 1.993 0.000) 1.993 21.737 ( 0.000 -1.710 0.000) 1.710 21.742 ( 0.000 -1.631 0.000) 1.631 22.197 ( 0.000 -0.146 0.000) 0.146 22.198 ( 0.000 -0.197 0.000) 0.197 22.329 ( 0.000 0.888 0.000) 0.888 22.512 ( 0.000 1.225 0.000) 1.225 22.531 ( 0.000 -1.774 0.000) 1.774 22.731 ( 0.000 0.186 0.000) 0.186 23.081 ( 0.000 -0.803 0.000) 0.803 23.114 ( 0.000 -1.329 0.000) 1.329 23.319 ( 0.000 0.307 0.000) 0.307 23.407 ( 0.000 1.913 0.000) 1.913 23.453 ( 0.000 -0.616 0.000) 0.616 23.615 ( 0.000 1.172 0.000) 1.172 23.737 ( 0.000 3.636 0.000) 3.636 23.881 ( 0.000 3.853 0.000) 3.853 23.955 ( 0.000 2.474 0.000) 2.474 24.002 ( 0.000 0.128 0.000) 0.128 24.059 ( 0.000 0.787 0.000) 0.787 24.142 ( 0.000 -4.560 0.000) 4.560 24.167 ( 0.000 1.768 0.000) 1.768 24.229 ( 0.000 -2.270 0.000) 2.270 24.316 ( 0.000 4.033 0.000) 4.033 24.370 ( 0.000 7.937 0.000) 7.937 24.487 ( 0.000 6.731 0.000) 6.731 24.739 ( 0.000 4.575 0.000) 4.575 24.760 ( 0.000 3.301 0.000) 3.301 24.872 ( 0.000 -1.637 0.000) 1.637 24.878 ( 0.000 2.308 0.000) 2.308 25.032 ( 0.000 7.499 0.000) 7.499 25.350 ( 0.000 2.415 0.000) 2.415 25.369 ( 0.000 2.989 0.000) 2.989 25.558 ( 0.000 -1.305 0.000) 1.305 25.911 ( 0.000 -5.209 0.000) 5.209 26.011 ( 0.000 -4.232 0.000) 4.232 26.130 ( 0.000 -5.710 0.000) 5.710 26.179 ( 0.000 -7.470 0.000) 7.470 26.398 ( 0.000 -10.183 0.000) 10.183 ======================= Grid point 13 (10/36) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.682 1.046 0.000) 1.981 2.269 ( -5.888 -2.767 0.000) 6.506 2.354 ( 1.825 -4.734 0.000) 5.073 2.434 ( -1.731 -4.853 0.000) 5.152 2.532 ( -1.598 1.350 0.000) 2.092 2.585 ( -4.783 1.641 0.000) 5.056 2.851 ( 9.075 11.069 0.000) 14.313 2.879 ( 4.131 14.451 0.000) 15.030 3.027 ( -1.101 0.040 0.000) 1.101 3.060 ( -3.590 1.972 0.000) 4.096 3.086 ( 3.896 -0.093 0.000) 3.897 3.235 ( -8.057 10.322 0.000) 13.094 3.287 ( 5.485 1.506 0.000) 5.688 3.335 ( 2.785 6.336 0.000) 6.921 3.483 ( -2.654 0.265 0.000) 2.667 3.544 ( -7.171 -0.800 0.000) 7.215 3.557 ( 6.421 1.407 0.000) 6.573 3.656 ( 0.173 3.649 0.000) 3.653 3.687 ( 3.776 3.969 0.000) 5.478 3.776 ( 0.462 2.660 0.000) 2.700 3.802 ( 6.204 -6.925 0.000) 9.298 3.970 ( -5.528 0.873 0.000) 5.597 4.003 ( -6.363 -6.425 0.000) 9.043 4.033 ( -10.185 -4.317 0.000) 11.062 4.097 ( -0.947 -2.054 0.000) 2.262 4.134 ( -0.523 -2.891 0.000) 2.938 4.211 ( 3.504 -3.529 0.000) 4.973 4.263 ( -0.159 -2.844 0.000) 2.848 4.367 ( 3.066 -2.552 0.000) 3.989 4.412 ( 2.343 -1.888 0.000) 3.008 4.497 ( 9.107 -0.825 0.000) 9.144 4.614 ( 6.264 5.179 0.000) 8.128 4.645 ( 6.133 -1.518 0.000) 6.318 4.694 ( 2.404 1.751 0.000) 2.974 4.774 ( -2.076 1.250 0.000) 2.424 4.827 ( 0.889 3.439 0.000) 3.553 4.867 ( -2.914 -0.028 0.000) 2.914 4.962 ( -4.792 -2.125 0.000) 5.242 5.008 ( -2.238 -5.169 0.000) 5.633 5.043 ( -3.411 -5.179 0.000) 6.202 5.115 ( 2.645 6.210 0.000) 6.750 5.149 ( -1.209 1.765 0.000) 2.139 5.197 ( -0.834 6.216 0.000) 6.272 5.283 ( -3.012 1.917 0.000) 3.570 5.302 ( 2.496 0.035 0.000) 2.496 5.357 ( -3.626 -0.305 0.000) 3.639 5.412 ( -0.293 2.783 0.000) 2.798 5.457 ( -1.296 1.634 0.000) 2.085 5.548 ( -1.321 -1.347 0.000) 1.886 5.588 ( -4.245 5.082 0.000) 6.621 5.722 ( 2.182 -4.208 0.000) 4.740 5.767 ( 5.352 -3.802 0.000) 6.565 5.808 ( 2.188 -4.932 0.000) 5.395 5.851 ( 4.606 -3.065 0.000) 5.532 5.969 ( -0.900 -3.033 0.000) 3.164 6.009 ( -2.150 0.668 0.000) 2.251 6.125 ( -3.544 4.869 0.000) 6.023 6.210 ( -7.289 -0.990 0.000) 7.356 6.223 ( 1.535 -10.865 0.000) 10.973 6.273 ( -2.889 -8.368 0.000) 8.853 6.327 ( 2.997 1.945 0.000) 3.573 6.360 ( -0.950 5.294 0.000) 5.378 6.416 ( 4.197 -1.885 0.000) 4.601 6.466 ( -0.365 0.980 0.000) 1.046 6.479 ( 0.025 -3.454 0.000) 3.454 6.591 ( -7.983 -5.271 0.000) 9.567 6.660 ( 3.464 -2.256 0.000) 4.134 6.708 ( -0.397 -3.824 0.000) 3.844 6.786 ( 1.584 -7.391 0.000) 7.559 6.826 ( 0.165 -8.077 0.000) 8.079 6.960 ( 4.568 -1.502 0.000) 4.809 7.026 ( -2.636 -1.121 0.000) 2.865 7.095 ( 3.088 -0.076 0.000) 3.089 7.176 ( -1.198 -0.920 0.000) 1.510 7.251 ( 0.650 0.474 0.000) 0.804 7.269 ( -0.812 5.294 0.000) 5.356 7.347 ( 0.820 -0.423 0.000) 0.923 7.402 ( -1.698 -4.309 0.000) 4.632 7.539 ( -0.592 -7.837 0.000) 7.859 7.558 ( -2.045 -1.687 0.000) 2.652 7.612 ( 1.211 -0.116 0.000) 1.217 7.644 ( -0.877 0.026 0.000) 0.878 7.724 ( -1.404 -0.438 0.000) 1.471 7.750 ( -4.983 -0.117 0.000) 4.984 7.896 ( 7.661 -0.052 0.000) 7.661 7.993 ( -0.004 -1.161 0.000) 1.161 8.085 ( 0.760 -0.540 0.000) 0.932 8.104 ( 4.960 1.396 0.000) 5.152 8.161 ( 0.137 2.276 0.000) 2.280 8.230 ( 2.099 0.553 0.000) 2.171 8.258 ( 5.870 0.457 0.000) 5.888 8.372 ( -1.306 0.449 0.000) 1.381 8.490 ( 3.602 2.941 0.000) 4.650 8.596 ( -3.222 2.869 0.000) 4.314 8.644 ( -5.196 3.455 0.000) 6.240 8.705 ( -6.359 1.357 0.000) 6.503 8.843 ( 4.666 2.581 0.000) 5.333 8.920 ( 4.564 5.159 0.000) 6.888 8.932 ( 0.628 2.988 0.000) 3.053 8.964 ( 0.164 3.221 0.000) 3.225 9.054 ( -1.716 2.762 0.000) 3.252 9.102 ( -5.798 2.066 0.000) 6.155 9.221 ( 3.135 -1.763 0.000) 3.597 9.334 ( -5.858 -1.205 0.000) 5.980 9.437 ( 0.711 -0.505 0.000) 0.872 9.501 ( 7.024 -1.940 0.000) 7.287 9.515 ( -6.278 -0.555 0.000) 6.303 9.685 ( -5.914 -4.701 0.000) 7.555 9.735 ( 3.151 -0.537 0.000) 3.197 9.817 ( -2.414 -6.915 0.000) 7.324 9.899 ( 7.226 -7.175 0.000) 10.183 10.041 ( -5.521 -9.922 0.000) 11.355 10.166 ( -0.580 -5.576 0.000) 5.606 10.186 ( -1.657 -6.796 0.000) 6.995 10.465 ( -0.166 1.510 0.000) 1.519 10.465 ( -0.093 3.783 0.000) 3.784 10.758 ( 7.791 -2.036 0.000) 8.053 10.887 ( 0.725 -1.955 0.000) 2.085 10.975 ( 7.114 -7.474 0.000) 10.318 11.070 ( -6.914 -4.278 0.000) 8.131 11.229 ( 5.510 1.997 0.000) 5.861 11.348 ( 0.125 -3.564 0.000) 3.566 11.549 ( 3.165 -2.356 0.000) 3.946 11.593 ( -0.664 0.954 0.000) 1.163 11.648 ( -2.436 0.444 0.000) 2.476 11.763 ( 1.824 -2.781 0.000) 3.325 11.833 ( -5.449 -3.854 0.000) 6.675 11.953 ( -13.456 -4.428 0.000) 14.166 12.268 ( 5.928 -5.899 0.000) 8.364 12.438 ( -9.771 -5.360 0.000) 11.145 12.558 ( 3.356 1.599 0.000) 3.718 12.627 ( -0.735 1.931 0.000) 2.066 12.667 ( 8.290 -1.404 0.000) 8.408 12.711 ( 10.263 1.716 0.000) 10.406 12.812 ( -0.021 -4.020 0.000) 4.020 12.886 ( 4.952 -3.648 0.000) 6.151 12.907 ( -8.310 -0.562 0.000) 8.329 13.058 ( -9.009 -1.785 0.000) 9.184 13.338 ( 10.353 -1.613 0.000) 10.478 13.550 ( -10.066 0.065 0.000) 10.066 13.582 ( 7.054 -0.420 0.000) 7.067 13.712 ( -4.967 -1.584 0.000) 5.213 13.817 ( 1.603 0.130 0.000) 1.608 13.830 ( 0.448 -0.793 0.000) 0.911 13.926 ( 0.973 -1.752 0.000) 2.004 13.975 ( -3.234 -3.037 0.000) 4.436 14.206 ( 4.764 0.344 0.000) 4.776 14.284 ( -2.430 0.486 0.000) 2.478 15.103 ( 5.664 -2.047 0.000) 6.023 15.235 ( -6.670 -0.948 0.000) 6.737 15.438 ( 3.301 -0.031 0.000) 3.302 15.492 ( -2.049 1.118 0.000) 2.334 16.169 ( 2.283 -0.390 0.000) 2.316 16.206 ( -1.040 0.163 0.000) 1.053 16.420 ( 1.223 1.444 0.000) 1.893 16.442 ( -0.677 1.249 0.000) 1.421 16.627 ( 1.391 -1.226 0.000) 1.854 16.720 ( -7.686 -2.339 0.000) 8.034 17.062 ( 4.046 -0.445 0.000) 4.070 17.130 ( -3.345 -1.014 0.000) 3.495 17.532 ( 5.113 -0.125 0.000) 5.115 17.568 ( 2.522 -1.998 0.000) 3.218 18.062 ( -0.401 3.961 0.000) 3.981 18.126 ( -5.979 3.049 0.000) 6.712 18.391 ( 4.359 2.967 0.000) 5.273 18.467 ( -2.208 4.109 0.000) 4.665 18.723 ( 0.853 -0.825 0.000) 1.187 18.750 ( -1.720 0.031 0.000) 1.721 19.622 ( 7.299 3.835 0.000) 8.245 19.741 ( 2.666 6.520 0.000) 7.044 19.782 ( -4.498 3.731 0.000) 5.844 19.841 ( -6.401 6.965 0.000) 9.460 20.500 ( 5.380 -0.668 0.000) 5.421 20.576 ( 1.149 1.539 0.000) 1.920 20.607 ( -1.389 1.321 0.000) 1.917 20.666 ( -3.664 -1.827 0.000) 4.094 21.611 ( 1.869 1.142 0.000) 2.191 21.652 ( -1.748 1.639 0.000) 2.397 21.733 ( -0.009 -1.604 0.000) 1.604 21.738 ( -0.324 -1.190 0.000) 1.233 22.198 ( 0.056 -0.163 0.000) 0.173 22.198 ( 0.021 -0.184 0.000) 0.186 22.371 ( 4.083 0.415 0.000) 4.104 22.470 ( -4.882 -0.631 0.000) 4.923 22.578 ( 5.247 0.357 0.000) 5.259 22.684 ( -4.440 0.167 0.000) 4.443 23.084 ( 0.405 -0.901 0.000) 0.987 23.100 ( -1.067 -1.102 0.000) 1.534 23.350 ( 3.073 0.296 0.000) 3.087 23.419 ( -3.143 -0.285 0.000) 3.156 23.466 ( 4.881 1.486 0.000) 5.102 23.564 ( -4.391 1.427 0.000) 4.617 23.774 ( 3.355 3.099 0.000) 4.567 23.850 ( -3.387 3.219 0.000) 4.672 23.964 ( 1.537 2.499 0.000) 2.934 24.011 ( -2.694 2.406 0.000) 3.612 24.039 ( 2.449 -0.637 0.000) 2.530 24.100 ( -3.171 -2.531 0.000) 4.058 24.183 ( 1.150 0.061 0.000) 1.152 24.208 ( -1.263 -0.982 0.000) 1.600 24.383 ( 3.872 6.054 0.000) 7.186 24.436 ( 2.119 5.804 0.000) 6.179 24.478 ( 3.214 4.927 0.000) 5.883 24.632 ( -7.883 3.270 0.000) 8.534 24.825 ( 3.821 3.160 0.000) 4.958 24.866 ( -0.532 -0.635 0.000) 0.828 24.897 ( 1.672 3.172 0.000) 3.585 24.971 ( -4.943 7.181 0.000) 8.718 25.354 ( 0.610 2.261 0.000) 2.342 25.369 ( -0.561 2.296 0.000) 2.363 25.633 ( 7.133 -1.147 0.000) 7.225 25.804 ( -8.949 -2.919 0.000) 9.413 26.029 ( 3.242 -5.225 0.000) 6.150 26.101 ( -3.140 -5.939 0.000) 6.718 26.272 ( 6.155 -8.309 0.000) 10.340 26.367 ( -3.133 -9.621 0.000) 10.118 ======================= Grid point 15 (11/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 -0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 -0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 -0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 -0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 -0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 -0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 -0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.819 ( 0.000 -0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.258 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 -0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.509 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 -0.000 0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.678 ( 0.000 0.000 0.000) 0.000 6.724 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 -0.000 0.000) 0.000 7.077 ( 0.000 -0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.400 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 -0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 -0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 7.754 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.230 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.722 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 -0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 9.090 ( 0.000 0.000 0.000) 0.000 9.121 ( 0.000 0.000 0.000) 0.000 9.199 ( 0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.492 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 9.720 ( 0.000 -0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 9.941 ( 0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.471 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 0.000 0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 10.728 ( 0.000 0.000 0.000) 0.000 10.897 ( 0.000 0.000 0.000) 0.000 10.947 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 11.562 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 11.860 ( 0.000 0.000 0.000) 0.000 11.962 ( 0.000 -0.000 0.000) 0.000 12.087 ( 0.000 0.000 0.000) 0.000 12.090 ( 0.000 0.000 0.000) 0.000 12.476 ( 0.000 0.000 0.000) 0.000 12.539 ( 0.000 0.000 0.000) 0.000 12.552 ( 0.000 0.000 0.000) 0.000 12.555 ( 0.000 0.000 0.000) 0.000 12.648 ( 0.000 0.000 0.000) 0.000 12.721 ( 0.000 0.000 0.000) 0.000 12.817 ( 0.000 0.000 0.000) 0.000 13.079 ( 0.000 0.000 0.000) 0.000 13.133 ( 0.000 0.000 0.000) 0.000 13.157 ( 0.000 0.000 0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 13.701 ( 0.000 0.000 0.000) 0.000 13.742 ( 0.000 0.000 0.000) 0.000 13.769 ( 0.000 0.000 0.000) 0.000 13.814 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 13.961 ( 0.000 0.000 0.000) 0.000 14.152 ( 0.000 0.000 0.000) 0.000 14.325 ( 0.000 0.000 0.000) 0.000 15.012 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 0.000) 0.000 15.373 ( 0.000 0.000 0.000) 0.000 15.533 ( 0.000 0.000 0.000) 0.000 16.135 ( 0.000 0.000 0.000) 0.000 16.220 ( 0.000 0.000 0.000) 0.000 16.419 ( 0.000 0.000 0.000) 0.000 16.458 ( 0.000 0.000 0.000) 0.000 16.621 ( 0.000 0.000 0.000) 0.000 16.823 ( 0.000 0.000 0.000) 0.000 16.977 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 17.478 ( 0.000 0.000 0.000) 0.000 17.488 ( 0.000 -0.000 0.000) 0.000 18.122 ( 0.000 0.000 0.000) 0.000 18.238 ( 0.000 0.000 0.000) 0.000 18.359 ( 0.000 0.000 0.000) 0.000 18.522 ( 0.000 0.000 0.000) 0.000 18.704 ( 0.000 0.000 0.000) 0.000 18.785 ( 0.000 0.000 0.000) 0.000 19.574 ( 0.000 0.000 0.000) 0.000 19.771 ( 0.000 0.000 0.000) 0.000 19.861 ( 0.000 0.000 0.000) 0.000 20.019 ( 0.000 0.000 0.000) 0.000 20.402 ( 0.000 0.000 0.000) 0.000 20.556 ( 0.000 0.000 0.000) 0.000 20.671 ( 0.000 0.000 0.000) 0.000 20.673 ( 0.000 0.000 0.000) 0.000 21.603 ( 0.000 0.000 0.000) 0.000 21.704 ( 0.000 0.000 0.000) 0.000 21.709 ( 0.000 -0.000 0.000) 0.000 21.720 ( 0.000 0.000 0.000) 0.000 22.196 ( 0.000 -0.017 0.000) 0.017 22.196 ( 0.000 0.017 0.000) 0.017 22.338 ( 0.000 0.000 0.000) 0.000 22.514 ( 0.000 0.000 0.000) 0.000 22.525 ( 0.000 0.000 0.000) 0.000 22.734 ( 0.000 0.000 0.000) 0.000 23.071 ( 0.000 0.000 0.000) 0.000 23.101 ( 0.000 0.000 0.000) 0.000 23.322 ( 0.000 0.000 0.000) 0.000 23.424 ( 0.000 0.000 0.000) 0.000 23.445 ( 0.000 0.000 0.000) 0.000 23.625 ( 0.000 0.000 0.000) 0.000 23.776 ( 0.000 0.000 0.000) 0.000 23.945 ( 0.000 -0.000 0.000) 0.000 23.957 ( 0.000 0.000 0.000) 0.000 23.995 ( 0.000 0.000 0.000) 0.000 24.070 ( 0.000 0.000 0.000) 0.000 24.082 ( 0.000 -0.000 0.000) 0.000 24.180 ( 0.000 0.000 0.000) 0.000 24.202 ( 0.000 0.000 0.000) 0.000 24.364 ( 0.000 0.000 0.000) 0.000 24.455 ( 0.000 0.000 0.000) 0.000 24.558 ( 0.000 0.000 0.000) 0.000 24.765 ( 0.000 0.000 0.000) 0.000 24.805 ( 0.000 0.000 0.000) 0.000 24.853 ( 0.000 0.000 0.000) 0.000 24.925 ( 0.000 0.000 0.000) 0.000 25.116 ( 0.000 0.000 0.000) 0.000 25.375 ( 0.000 0.000 0.000) 0.000 25.407 ( 0.000 0.000 0.000) 0.000 25.540 ( 0.000 0.000 0.000) 0.000 25.856 ( 0.000 0.000 0.000) 0.000 25.967 ( 0.000 0.000 0.000) 0.000 26.072 ( 0.000 0.000 0.000) 0.000 26.098 ( 0.000 0.000 0.000) 0.000 26.292 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 17 (12/36) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.388 -1.443 0.000) 1.494 2.171 ( 1.147 1.443 0.000) 1.843 2.370 ( -7.146 0.000 0.000) 7.146 2.378 ( -0.579 -0.000 0.000) 0.579 2.549 ( -3.535 0.000 0.000) 3.535 2.579 ( -0.502 0.000 0.000) 0.502 2.927 ( 1.731 -0.000 0.000) 1.731 2.948 ( 0.728 0.000 0.000) 0.728 3.033 ( 2.246 0.000 0.000) 2.246 3.092 ( -1.950 0.000 0.000) 1.950 3.158 ( 8.656 0.000 0.000) 8.656 3.353 ( -0.934 0.000 0.000) 0.934 3.412 ( -6.622 0.000 0.000) 6.622 3.441 ( 4.835 0.000 0.000) 4.835 3.453 ( 2.065 -0.000 0.000) 2.065 3.506 ( -5.013 0.000 0.000) 5.013 3.615 ( 5.136 0.000 0.000) 5.136 3.658 ( 2.609 0.000 0.000) 2.609 3.669 ( -0.085 0.000 0.000) 0.085 3.783 ( -6.451 0.000 0.000) 6.451 3.805 ( 5.843 0.000 0.000) 5.843 3.919 ( -1.522 0.000 0.000) 1.522 3.951 ( 4.165 0.000 0.000) 4.165 3.974 ( -4.456 0.000 0.000) 4.456 4.032 ( -5.141 0.000 0.000) 5.141 4.105 ( -4.717 -0.000 0.000) 4.717 4.159 ( 0.657 0.000 0.000) 0.657 4.249 ( -5.930 0.000 0.000) 5.930 4.374 ( -0.338 0.000 0.000) 0.338 4.400 ( 4.241 0.000 0.000) 4.241 4.466 ( 8.439 0.000 0.000) 8.439 4.641 ( 15.030 0.000 0.000) 15.030 4.700 ( 8.519 0.000 0.000) 8.519 4.707 ( -3.600 0.000 0.000) 3.600 4.816 ( 3.265 0.000 0.000) 3.265 4.844 ( -4.820 0.000 0.000) 4.820 4.863 ( -2.018 0.000 0.000) 2.018 4.901 ( -7.273 0.000 0.000) 7.273 4.937 ( 2.334 0.000 0.000) 2.334 4.971 ( -2.420 0.000 0.000) 2.420 5.186 ( -4.316 0.000 0.000) 4.316 5.198 ( -2.511 0.000 0.000) 2.511 5.222 ( 8.502 0.000 0.000) 8.502 5.282 ( -0.798 -0.000 0.000) 0.798 5.344 ( 0.586 0.000 0.000) 0.586 5.363 ( -0.994 0.000 0.000) 0.994 5.433 ( -7.656 0.000 0.000) 7.656 5.450 ( -5.731 0.000 0.000) 5.731 5.584 ( -0.059 0.000 0.000) 0.059 5.622 ( -2.558 -0.000 0.000) 2.558 5.705 ( 0.581 -0.000 0.000) 0.581 5.706 ( 1.761 0.000 0.000) 1.761 5.752 ( 8.600 0.000 0.000) 8.600 5.847 ( 0.942 0.000 0.000) 0.942 5.862 ( 4.110 -0.000 0.000) 4.110 5.896 ( 0.167 0.000 0.000) 0.167 6.165 ( -5.493 0.000 0.000) 5.493 6.196 ( -8.732 0.000 0.000) 8.732 6.246 ( 0.479 0.000 0.000) 0.479 6.273 ( -1.427 0.000 0.000) 1.427 6.323 ( 4.394 -0.000 0.000) 4.394 6.343 ( 1.322 0.000 0.000) 1.322 6.437 ( -3.558 0.000 0.000) 3.558 6.446 ( -5.139 -0.000 0.000) 5.139 6.514 ( 0.459 0.000 0.000) 0.459 6.523 ( -1.961 0.000 0.000) 1.961 6.637 ( 3.704 0.000 0.000) 3.704 6.688 ( 1.833 -0.000 0.000) 1.833 6.693 ( -0.270 0.000 0.000) 0.270 6.736 ( 0.407 0.000 0.000) 0.407 6.937 ( 4.507 0.000 0.000) 4.507 7.041 ( -4.123 0.000 0.000) 4.123 7.104 ( 6.054 0.000 0.000) 6.054 7.147 ( 2.647 -0.000 0.000) 2.647 7.226 ( 0.532 0.000 0.000) 0.532 7.255 ( 3.955 0.000 0.000) 3.955 7.349 ( -5.015 0.000 0.000) 5.015 7.385 ( -3.342 0.000 0.000) 3.342 7.546 ( 3.680 0.000 0.000) 3.680 7.556 ( 2.017 -0.000 0.000) 2.017 7.617 ( -1.098 -0.000 0.000) 1.098 7.622 ( -2.191 0.000 0.000) 2.191 7.705 ( -4.108 0.000 0.000) 4.108 7.730 ( -7.690 -0.000 0.000) 7.690 7.937 ( 4.355 0.000 0.000) 4.355 7.981 ( 0.919 0.000 0.000) 0.919 8.062 ( 2.916 0.000 0.000) 2.916 8.118 ( 0.579 0.000 0.000) 0.579 8.188 ( 0.374 0.000 0.000) 0.374 8.237 ( 2.086 0.000 0.000) 2.086 8.266 ( 3.118 0.000 0.000) 3.118 8.377 ( 0.666 0.000 0.000) 0.666 8.527 ( 5.958 0.000 0.000) 5.958 8.657 ( -4.704 0.000 0.000) 4.704 8.667 ( -3.127 0.000 0.000) 3.127 8.704 ( -7.394 0.000 0.000) 7.394 8.873 ( 7.840 0.000 0.000) 7.840 8.958 ( 3.586 0.000 0.000) 3.586 8.958 ( 2.567 -0.000 0.000) 2.567 9.061 ( -7.519 0.000 0.000) 7.519 9.132 ( 5.728 0.000 0.000) 5.728 9.190 ( -1.002 0.000 0.000) 1.002 9.214 ( -0.361 0.000 0.000) 0.361 9.283 ( -7.028 0.000 0.000) 7.028 9.423 ( 3.618 -0.000 0.000) 3.618 9.424 ( -0.761 0.000 0.000) 0.761 9.501 ( -7.286 0.000 0.000) 7.286 9.558 ( -7.078 0.000 0.000) 7.078 9.710 ( 8.927 0.000 0.000) 8.927 9.768 ( 2.425 0.000 0.000) 2.425 9.825 ( 2.971 0.000 0.000) 2.971 9.902 ( -4.073 0.000 0.000) 4.073 10.125 ( -2.711 0.000 0.000) 2.711 10.133 ( -3.474 0.000 0.000) 3.474 10.484 ( 0.405 0.000 0.000) 0.405 10.499 ( -1.632 0.000 0.000) 1.632 10.729 ( 9.876 0.000 0.000) 9.876 10.889 ( -2.155 0.000 0.000) 2.155 10.891 ( 10.026 -0.000 0.000) 10.026 10.997 ( -2.509 0.000 0.000) 2.509 11.232 ( 8.007 0.000 0.000) 8.007 11.341 ( -3.999 0.000 0.000) 3.999 11.527 ( 9.002 0.000 0.000) 9.002 11.595 ( 0.092 0.000 0.000) 0.092 11.704 ( -13.120 0.000 0.000) 13.120 11.747 ( 3.976 0.000 0.000) 3.976 11.775 ( -10.857 0.000 0.000) 10.857 11.872 ( -11.124 0.000 0.000) 11.124 12.205 ( 7.690 0.000 0.000) 7.690 12.385 ( -10.026 0.000 0.000) 10.026 12.573 ( 3.356 0.000 0.000) 3.356 12.650 ( -3.602 -0.000 0.000) 3.602 12.653 ( 9.866 0.000 0.000) 9.866 12.735 ( 8.903 0.000 0.000) 8.903 12.776 ( 6.842 0.000 0.000) 6.842 12.830 ( 2.392 -0.000 0.000) 2.392 12.921 ( -8.207 0.000 0.000) 8.207 13.040 ( -10.535 0.000 0.000) 10.535 13.322 ( 11.495 0.000 0.000) 11.495 13.539 ( -6.092 0.000 0.000) 6.092 13.589 ( 1.430 0.000 0.000) 1.430 13.691 ( -4.620 0.000 0.000) 4.620 13.819 ( 1.801 0.000 0.000) 1.801 13.826 ( 0.655 0.000 0.000) 0.655 13.913 ( 0.552 0.000 0.000) 0.552 13.941 ( -1.718 0.000 0.000) 1.718 14.211 ( 4.472 0.000 0.000) 4.472 14.291 ( -3.184 0.000 0.000) 3.184 15.082 ( 6.378 0.000 0.000) 6.378 15.225 ( -7.017 0.000 0.000) 7.017 15.437 ( 3.758 0.000 0.000) 3.758 15.504 ( -2.701 0.000 0.000) 2.701 16.165 ( 2.494 0.000 0.000) 2.494 16.208 ( -1.405 0.000 0.000) 1.405 16.435 ( 1.373 0.000 0.000) 1.373 16.456 ( -0.378 0.000 0.000) 0.378 16.616 ( 0.692 0.000 0.000) 0.692 16.697 ( -7.306 0.000 0.000) 7.306 17.058 ( 4.008 0.000 0.000) 4.008 17.120 ( -2.834 0.000 0.000) 2.834 17.538 ( 3.334 0.000 0.000) 3.334 17.539 ( 3.512 -0.000 0.000) 3.512 18.102 ( -0.492 0.000 0.000) 0.492 18.157 ( -5.680 0.000 0.000) 5.680 18.422 ( 5.092 0.000 0.000) 5.092 18.507 ( -2.455 0.000 0.000) 2.455 18.715 ( 1.122 0.000 0.000) 1.122 18.752 ( -2.481 0.000 0.000) 2.481 19.661 ( 7.869 0.000 0.000) 7.869 19.810 ( 3.521 0.000 0.000) 3.521 19.816 ( -5.251 0.000 0.000) 5.251 19.912 ( -7.314 0.000 0.000) 7.314 20.488 ( 6.503 0.000 0.000) 6.503 20.591 ( 3.127 0.000 0.000) 3.127 20.608 ( -4.984 0.000 0.000) 4.984 20.655 ( -2.618 0.000 0.000) 2.618 21.624 ( 2.039 0.000 0.000) 2.039 21.674 ( -2.570 0.000 0.000) 2.570 21.713 ( 0.714 0.000 0.000) 0.714 21.724 ( -0.228 0.000 0.000) 0.228 22.196 ( 0.039 0.000 0.000) 0.039 22.197 ( 0.035 0.000 0.000) 0.035 22.375 ( 3.644 0.000 0.000) 3.644 22.463 ( -4.399 0.000 0.000) 4.399 22.583 ( 5.074 0.000 0.000) 5.074 22.687 ( -4.434 0.000 0.000) 4.434 23.074 ( 0.361 0.000 0.000) 0.361 23.088 ( -0.935 0.000 0.000) 0.935 23.352 ( 2.836 0.000 0.000) 2.836 23.414 ( -2.816 0.000 0.000) 2.816 23.480 ( 4.732 0.000 0.000) 4.732 23.577 ( -4.301 0.000 0.000) 4.301 23.808 ( 3.140 0.000 0.000) 3.140 23.889 ( -4.325 0.000 0.000) 4.325 23.981 ( 2.234 0.000 0.000) 2.234 24.027 ( 1.921 0.000 0.000) 1.921 24.039 ( -3.099 0.000 0.000) 3.099 24.060 ( -1.062 0.000 0.000) 1.062 24.177 ( 0.366 0.000 0.000) 0.366 24.192 ( -0.871 0.000 0.000) 0.871 24.447 ( 5.378 0.000 0.000) 5.378 24.509 ( 5.986 -0.000 0.000) 5.986 24.527 ( -2.913 0.000 0.000) 2.913 24.663 ( -7.733 0.000 0.000) 7.733 24.843 ( 1.632 0.000 0.000) 1.632 24.855 ( 0.059 0.000 0.000) 0.059 24.959 ( 3.569 0.000 0.000) 3.569 25.055 ( -5.087 0.000 0.000) 5.087 25.377 ( 0.472 0.000 0.000) 0.472 25.394 ( -1.061 0.000 0.000) 1.061 25.620 ( 6.867 0.000 0.000) 6.867 25.773 ( -7.533 0.000 0.000) 7.533 25.973 ( 2.683 0.000 0.000) 2.683 26.039 ( -3.029 0.000 0.000) 3.029 26.186 ( 5.486 0.000 0.000) 5.486 26.268 ( -2.589 0.000 0.000) 2.589 ======================= Grid point 33 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 0.000 38.357) 38.357 0.758 ( 0.000 0.000 40.527) 40.527 1.290 ( 0.000 0.000 63.647) 63.647 1.934 ( 0.000 0.000 13.415) 13.415 1.981 ( 0.000 0.000 13.874) 13.874 2.024 ( 0.000 0.000 -12.086) 12.086 2.168 ( 0.000 0.000 14.459) 14.459 2.420 ( 0.000 0.000 -11.926) 11.926 2.494 ( 0.000 0.000 -6.028) 6.028 2.579 ( 0.000 0.000 6.032) 6.032 2.781 ( 0.000 0.000 1.691) 1.691 2.847 ( 0.000 0.000 -8.759) 8.759 2.944 ( 0.000 0.000 8.909) 8.909 3.079 ( 0.000 0.000 -9.814) 9.814 3.081 ( 0.000 0.000 -23.155) 23.155 3.278 ( 0.000 0.000 -14.068) 14.068 3.431 ( 0.000 0.000 -21.187) 21.187 3.583 ( 0.000 0.000 -8.139) 8.139 3.678 ( 0.000 0.000 -7.520) 7.520 3.700 ( 0.000 0.000 1.336) 1.336 3.854 ( 0.000 0.000 -4.649) 4.649 3.918 ( 0.000 0.000 -0.148) 0.148 3.927 ( 0.000 0.000 11.731) 11.731 4.074 ( 0.000 0.000 1.262) 1.262 4.133 ( 0.000 0.000 10.578) 10.578 4.135 ( 0.000 0.000 -4.025) 4.025 4.230 ( 0.000 0.000 1.368) 1.368 4.415 ( 0.000 0.000 0.058) 0.058 4.430 ( 0.000 0.000 8.167) 8.167 4.540 ( 0.000 0.000 -8.016) 8.016 4.578 ( 0.000 0.000 7.811) 7.811 4.581 ( 0.000 0.000 -5.085) 5.085 4.602 ( 0.000 0.000 -1.709) 1.709 4.705 ( 0.000 0.000 -7.779) 7.779 4.720 ( 0.000 0.000 -4.117) 4.117 4.886 ( 0.000 0.000 -6.811) 6.811 4.920 ( 0.000 0.000 3.358) 3.358 4.971 ( 0.000 0.000 10.184) 10.184 4.984 ( 0.000 0.000 -0.831) 0.831 5.068 ( 0.000 0.000 -1.437) 1.437 5.104 ( 0.000 0.000 6.638) 6.638 5.235 ( 0.000 0.000 2.529) 2.529 5.308 ( 0.000 0.000 -1.516) 1.516 5.352 ( 0.000 0.000 9.962) 9.962 5.448 ( 0.000 0.000 -0.762) 0.762 5.594 ( 0.000 0.000 -10.459) 10.459 5.650 ( 0.000 0.000 15.623) 15.623 5.658 ( 0.000 0.000 9.902) 9.902 5.679 ( 0.000 0.000 -2.334) 2.334 5.774 ( 0.000 0.000 2.493) 2.493 5.779 ( 0.000 0.000 -2.850) 2.850 5.965 ( 0.000 0.000 3.087) 3.087 5.970 ( 0.000 0.000 5.869) 5.869 6.012 ( 0.000 0.000 3.201) 3.201 6.038 ( 0.000 0.000 -4.045) 4.045 6.087 ( 0.000 0.000 0.634) 0.634 6.096 ( 0.000 0.000 6.811) 6.811 6.144 ( 0.000 0.000 0.636) 0.636 6.220 ( 0.000 0.000 -0.076) 0.076 6.431 ( 0.000 0.000 -6.680) 6.680 6.451 ( 0.000 0.000 4.290) 4.290 6.605 ( 0.000 0.000 5.023) 5.023 6.665 ( 0.000 0.000 -2.707) 2.707 6.737 ( 0.000 0.000 -7.522) 7.522 6.765 ( 0.000 0.000 -3.988) 3.988 6.773 ( 0.000 0.000 -4.950) 4.950 6.800 ( 0.000 0.000 -1.894) 1.894 6.972 ( 0.000 0.000 1.137) 1.137 7.092 ( 0.000 0.000 0.110) 0.110 7.120 ( 0.000 0.000 -4.551) 4.551 7.151 ( 0.000 0.000 0.092) 0.092 7.188 ( 0.000 0.000 -4.136) 4.136 7.378 ( 0.000 0.000 0.823) 0.823 7.447 ( 0.000 0.000 -3.146) 3.146 7.499 ( 0.000 0.000 1.337) 1.337 7.500 ( 0.000 0.000 -2.119) 2.119 7.591 ( 0.000 0.000 1.564) 1.564 7.651 ( 0.000 0.000 0.162) 0.162 7.718 ( 0.000 0.000 -0.962) 0.962 7.859 ( 0.000 0.000 -11.084) 11.084 7.925 ( 0.000 0.000 2.222) 2.222 7.938 ( 0.000 0.000 -5.315) 5.315 7.973 ( 0.000 0.000 -1.370) 1.370 7.981 ( 0.000 0.000 -7.649) 7.649 8.113 ( 0.000 0.000 2.174) 2.174 8.122 ( 0.000 0.000 -11.189) 11.189 8.179 ( 0.000 0.000 -5.133) 5.133 8.321 ( 0.000 0.000 3.706) 3.706 8.348 ( 0.000 0.000 0.323) 0.323 8.354 ( 0.000 0.000 -5.051) 5.051 8.549 ( 0.000 0.000 -0.560) 0.560 8.551 ( 0.000 0.000 0.214) 0.214 8.577 ( 0.000 0.000 4.355) 4.355 8.586 ( 0.000 0.000 0.888) 0.888 8.724 ( 0.000 0.000 -6.074) 6.074 8.777 ( 0.000 0.000 8.667) 8.667 8.788 ( 0.000 0.000 -3.982) 3.982 8.811 ( 0.000 0.000 1.499) 1.499 8.960 ( 0.000 0.000 7.202) 7.202 9.078 ( 0.000 0.000 10.428) 10.428 9.081 ( 0.000 0.000 0.004) 0.004 9.140 ( 0.000 0.000 5.178) 5.178 9.311 ( 0.000 0.000 -2.842) 2.842 9.380 ( 0.000 0.000 7.659) 7.659 9.435 ( 0.000 0.000 -9.873) 9.873 9.470 ( 0.000 0.000 6.944) 6.944 9.530 ( 0.000 0.000 0.044) 0.044 9.601 ( 0.000 0.000 -0.020) 0.020 9.728 ( 0.000 0.000 2.787) 2.787 9.862 ( 0.000 0.000 1.113) 1.113 9.912 ( 0.000 0.000 0.892) 0.892 9.963 ( 0.000 0.000 4.666) 4.666 10.207 ( 0.000 0.000 8.279) 8.279 10.335 ( 0.000 0.000 4.226) 4.226 10.590 ( 0.000 0.000 -0.041) 0.041 10.734 ( 0.000 0.000 0.715) 0.715 11.012 ( 0.000 0.000 -6.933) 6.933 11.163 ( 0.000 0.000 -6.169) 6.169 11.295 ( 0.000 0.000 0.187) 0.187 11.306 ( 0.000 0.000 5.588) 5.588 11.344 ( 0.000 0.000 -14.082) 14.082 11.387 ( 0.000 0.000 -2.836) 2.836 11.515 ( 0.000 0.000 -0.164) 0.164 11.734 ( 0.000 0.000 2.411) 2.411 11.774 ( 0.000 0.000 3.568) 3.568 11.820 ( 0.000 0.000 -1.416) 1.416 11.832 ( 0.000 0.000 3.309) 3.309 12.175 ( 0.000 0.000 -10.331) 10.331 12.357 ( 0.000 0.000 2.587) 2.587 12.459 ( 0.000 0.000 0.958) 0.958 12.476 ( 0.000 0.000 2.320) 2.320 12.806 ( 0.000 0.000 8.522) 8.522 12.850 ( 0.000 0.000 -16.613) 16.613 13.216 ( 0.000 0.000 -4.063) 4.063 13.228 ( 0.000 0.000 4.650) 4.650 13.267 ( 0.000 0.000 4.422) 4.422 13.379 ( 0.000 0.000 6.093) 6.093 13.384 ( 0.000 0.000 3.142) 3.142 13.448 ( 0.000 0.000 -0.106) 0.106 13.603 ( 0.000 0.000 -2.305) 2.305 13.796 ( 0.000 0.000 1.061) 1.061 13.834 ( 0.000 0.000 3.840) 3.840 13.962 ( 0.000 0.000 -3.881) 3.881 14.115 ( 0.000 0.000 -4.007) 4.007 14.220 ( 0.000 0.000 4.564) 4.564 14.225 ( 0.000 0.000 1.233) 1.233 14.374 ( 0.000 0.000 -0.213) 0.213 14.489 ( 0.000 0.000 -2.363) 2.363 15.360 ( 0.000 0.000 0.039) 0.039 15.403 ( 0.000 0.000 -0.829) 0.829 15.410 ( 0.000 0.000 -1.119) 1.119 15.432 ( 0.000 0.000 -2.137) 2.137 16.148 ( 0.000 0.000 2.387) 2.387 16.237 ( 0.000 0.000 1.827) 1.827 16.380 ( 0.000 0.000 -2.156) 2.156 16.480 ( 0.000 0.000 -7.864) 7.864 17.009 ( 0.000 0.000 7.805) 7.805 17.085 ( 0.000 0.000 3.666) 3.666 17.341 ( 0.000 0.000 -2.719) 2.719 17.396 ( 0.000 0.000 -3.527) 3.527 17.406 ( 0.000 0.000 8.051) 8.051 17.420 ( 0.000 0.000 4.939) 4.939 17.658 ( 0.000 0.000 -0.805) 0.805 17.980 ( 0.000 0.000 -5.777) 5.777 18.204 ( 0.000 0.000 5.152) 5.152 18.347 ( 0.000 0.000 2.240) 2.240 18.632 ( 0.000 0.000 -9.688) 9.688 18.721 ( 0.000 0.000 -7.831) 7.831 18.966 ( 0.000 0.000 4.783) 4.783 19.029 ( 0.000 0.000 -0.787) 0.787 19.032 ( 0.000 0.000 1.041) 1.041 19.093 ( 0.000 0.000 0.340) 0.340 20.173 ( 0.000 0.000 2.783) 2.783 20.348 ( 0.000 0.000 -2.076) 2.076 20.486 ( 0.000 0.000 1.500) 1.500 20.561 ( 0.000 0.000 -0.610) 0.610 21.562 ( 0.000 0.000 3.060) 3.060 21.663 ( 0.000 0.000 3.380) 3.380 21.692 ( 0.000 0.000 -0.500) 0.500 21.914 ( 0.000 0.000 -2.648) 2.648 22.181 ( 0.000 0.000 3.192) 3.192 22.328 ( 0.000 0.000 11.564) 11.564 22.387 ( 0.000 0.000 -1.917) 1.917 22.813 ( 0.000 0.000 2.154) 2.154 22.828 ( 0.000 0.000 -0.307) 0.307 22.979 ( 0.000 0.000 -0.257) 0.257 22.987 ( 0.000 0.000 -3.895) 3.895 23.000 ( 0.000 0.000 -0.633) 0.633 23.017 ( 0.000 0.000 1.845) 1.845 23.173 ( 0.000 0.000 -0.485) 0.485 23.233 ( 0.000 0.000 1.337) 1.337 23.251 ( 0.000 0.000 0.003) 0.003 23.300 ( 0.000 0.000 -0.443) 0.443 23.353 ( 0.000 0.000 -2.975) 2.975 23.441 ( 0.000 0.000 0.828) 0.828 23.525 ( 0.000 0.000 -1.444) 1.444 23.684 ( 0.000 0.000 0.737) 0.737 23.744 ( 0.000 0.000 1.437) 1.437 23.820 ( 0.000 0.000 -0.592) 0.592 23.877 ( 0.000 0.000 -6.712) 6.712 24.276 ( 0.000 0.000 7.478) 7.478 24.528 ( 0.000 0.000 -1.348) 1.348 24.540 ( 0.000 0.000 -1.146) 1.146 24.547 ( 0.000 0.000 -1.115) 1.115 24.807 ( 0.000 0.000 3.759) 3.759 24.839 ( 0.000 0.000 1.871) 1.871 24.984 ( 0.000 0.000 -0.715) 0.715 25.001 ( 0.000 0.000 -1.379) 1.379 25.335 ( 0.000 0.000 0.826) 0.826 25.449 ( 0.000 0.000 -0.208) 0.208 25.500 ( 0.000 0.000 -1.172) 1.172 25.516 ( 0.000 0.000 -4.035) 4.035 26.364 ( 0.000 0.000 3.178) 3.178 26.644 ( 0.000 0.000 -3.571) 3.571 26.716 ( 0.000 0.000 4.765) 4.765 27.334 ( 0.000 0.000 -10.758) 10.758 ======================= Grid point 34 (14/36) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 25.266 0.000 27.829) 37.587 1.151 ( 25.652 0.000 27.888) 37.892 1.623 ( -21.460 0.000 17.734) 27.840 1.663 ( -21.062 0.000 15.637) 26.233 1.901 ( 42.427 0.000 31.228) 52.681 2.100 ( 3.723 0.000 7.307) 8.201 2.110 ( -2.330 0.000 -2.308) 3.279 2.460 ( -1.096 0.000 6.112) 6.209 2.464 ( 3.091 0.000 -3.323) 4.538 2.621 ( 2.379 0.000 -7.427) 7.798 2.859 ( 1.523 0.000 -13.587) 13.672 2.883 ( -5.621 0.000 -10.495) 11.905 3.075 ( 7.037 0.000 0.367) 7.046 3.087 ( -6.162 0.000 4.269) 7.496 3.144 ( 0.772 0.000 -6.801) 6.845 3.224 ( -11.433 0.000 -16.596) 20.153 3.312 ( -9.701 0.000 -5.103) 10.962 3.345 ( -1.194 0.000 -12.359) 12.416 3.614 ( -4.898 0.000 -5.817) 7.605 3.633 ( -5.160 0.000 -7.341) 8.973 3.737 ( -3.873 0.000 -4.860) 6.214 3.783 ( -8.370 0.000 -1.809) 8.563 4.002 ( 1.528 0.000 2.374) 2.824 4.033 ( -1.385 0.000 -0.277) 1.413 4.162 ( 3.214 0.000 6.385) 7.149 4.188 ( 12.637 0.000 11.945) 17.390 4.291 ( -5.161 0.000 1.886) 5.494 4.304 ( 0.925 0.000 7.006) 7.067 4.351 ( -1.630 0.000 8.511) 8.665 4.487 ( -10.540 0.000 7.602) 12.995 4.507 ( 1.779 0.000 -11.423) 11.560 4.595 ( -4.304 0.000 -6.528) 7.819 4.660 ( 9.238 0.000 -5.038) 10.523 4.787 ( 8.804 0.000 -6.379) 10.873 4.831 ( -5.477 0.000 -7.601) 9.368 4.860 ( 9.410 0.000 -0.840) 9.448 4.924 ( -6.311 0.000 5.078) 8.100 4.995 ( 6.390 0.000 4.122) 7.604 5.018 ( -3.426 0.000 -0.014) 3.426 5.087 ( -5.121 0.000 6.203) 8.044 5.123 ( 3.318 0.000 -5.595) 6.505 5.192 ( -2.606 0.000 -4.812) 5.472 5.343 ( 3.631 0.000 7.753) 8.561 5.446 ( -2.179 0.000 1.140) 2.460 5.463 ( 5.852 0.000 -2.171) 6.242 5.530 ( -6.854 0.000 -0.249) 6.859 5.598 ( 3.205 0.000 4.259) 5.330 5.649 ( -0.985 0.000 6.803) 6.874 5.696 ( 3.229 0.000 -2.802) 4.276 5.809 ( -2.506 0.000 -1.496) 2.919 5.867 ( -2.224 0.000 -0.059) 2.224 5.880 ( -3.966 0.000 4.052) 5.670 5.915 ( -0.303 0.000 -2.618) 2.636 5.972 ( -4.158 0.000 0.747) 4.225 6.022 ( 3.505 0.000 5.255) 6.317 6.169 ( 11.091 0.000 1.829) 11.241 6.173 ( -6.727 0.000 1.699) 6.938 6.263 ( -0.458 0.000 -6.506) 6.522 6.371 ( 19.485 0.000 4.799) 20.067 6.406 ( 6.720 0.000 0.548) 6.742 6.492 ( 3.499 0.000 -4.694) 5.854 6.593 ( -0.448 0.000 6.165) 6.182 6.616 ( -5.174 0.000 0.798) 5.235 6.692 ( -4.463 0.000 -2.436) 5.085 6.737 ( -1.568 0.000 -3.492) 3.828 6.763 ( -0.663 0.000 -0.518) 0.841 6.808 ( 0.591 0.000 -3.472) 3.522 6.878 ( -9.443 0.000 -3.426) 10.045 7.127 ( 4.453 0.000 -9.028) 10.067 7.152 ( 1.832 0.000 -4.225) 4.605 7.233 ( 3.482 0.000 -1.386) 3.748 7.251 ( 4.164 0.000 -3.373) 5.359 7.389 ( -0.760 0.000 -0.718) 1.046 7.450 ( 3.680 0.000 0.481) 3.712 7.528 ( -1.409 0.000 1.009) 1.733 7.535 ( -6.696 0.000 5.016) 8.366 7.635 ( 2.178 0.000 1.323) 2.548 7.637 ( 2.138 0.000 -0.931) 2.331 7.749 ( 4.241 0.000 -2.070) 4.719 7.834 ( -3.022 0.000 -8.368) 8.897 7.849 ( -1.368 0.000 -2.825) 3.139 7.905 ( -3.807 0.000 -5.788) 6.928 8.000 ( 0.842 0.000 -10.623) 10.656 8.016 ( 0.931 0.000 -4.383) 4.480 8.080 ( 0.329 0.000 4.175) 4.188 8.107 ( 3.846 0.000 -4.796) 6.148 8.226 ( 0.286 0.000 -0.641) 0.702 8.284 ( -5.071 0.000 -3.866) 6.377 8.285 ( -1.140 0.000 2.351) 2.613 8.403 ( -9.344 0.000 -0.814) 9.379 8.447 ( 7.064 0.000 -3.410) 7.844 8.536 ( -2.052 0.000 -0.745) 2.183 8.569 ( 3.383 0.000 0.794) 3.475 8.653 ( -4.322 0.000 -2.684) 5.087 8.676 ( 5.902 0.000 2.452) 6.391 8.753 ( -0.187 0.000 -1.502) 1.513 8.776 ( -1.579 0.000 0.993) 1.866 8.822 ( -4.422 0.000 1.158) 4.571 8.998 ( 0.770 0.000 8.758) 8.792 9.014 ( -2.398 0.000 10.045) 10.328 9.135 ( 5.027 0.000 6.972) 8.596 9.163 ( 1.316 0.000 3.796) 4.018 9.315 ( 3.445 0.000 3.939) 5.233 9.381 ( -3.541 0.000 4.342) 5.603 9.424 ( -1.191 0.000 -4.608) 4.759 9.441 ( -3.134 0.000 -4.747) 5.688 9.533 ( 3.347 0.000 2.585) 4.228 9.605 ( -2.348 0.000 -0.230) 2.359 9.706 ( 1.726 0.000 5.642) 5.900 9.771 ( -3.825 0.000 10.729) 11.390 9.961 ( 0.372 0.000 -0.981) 1.049 9.965 ( -0.324 0.000 2.506) 2.527 10.333 ( 10.792 0.000 8.978) 14.038 10.400 ( 6.340 0.000 3.155) 7.082 10.481 ( -6.024 0.000 6.803) 9.087 10.646 ( -13.731 0.000 5.910) 14.949 10.969 ( -1.874 0.000 -13.374) 13.505 10.990 ( -1.762 0.000 -9.965) 10.120 11.204 ( -2.873 0.000 -1.704) 3.340 11.255 ( -7.055 0.000 -3.234) 7.761 11.439 ( 3.305 0.000 -4.419) 5.518 11.442 ( 3.373 0.000 -1.014) 3.522 11.634 ( 3.868 0.000 0.989) 3.993 11.684 ( -2.694 0.000 3.105) 4.111 11.744 ( 0.352 0.000 -0.157) 0.385 11.774 ( -0.297 0.000 -0.858) 0.908 11.929 ( 7.503 0.000 -0.573) 7.525 12.084 ( -7.821 0.000 -4.702) 9.126 12.374 ( 2.393 0.000 5.376) 5.885 12.473 ( -6.007 0.000 8.070) 10.060 12.658 ( 12.295 0.000 -3.299) 12.730 12.817 ( -3.727 0.000 -13.437) 13.945 12.877 ( 13.576 0.000 2.876) 13.877 13.088 ( 2.821 0.000 -0.360) 2.844 13.167 ( -12.178 0.000 3.586) 12.695 13.224 ( -8.061 0.000 0.893) 8.111 13.379 ( 3.001 0.000 5.849) 6.573 13.420 ( -0.848 0.000 6.475) 6.531 13.461 ( 1.873 0.000 0.541) 1.950 13.525 ( -4.734 0.000 0.416) 4.752 13.907 ( 4.498 0.000 1.094) 4.629 13.946 ( 2.256 0.000 -3.486) 4.152 13.983 ( 4.227 0.000 -5.114) 6.635 14.056 ( -3.715 0.000 -2.436) 4.442 14.198 ( -0.595 0.000 3.667) 3.715 14.217 ( -1.405 0.000 0.623) 1.537 14.423 ( 3.761 0.000 -1.239) 3.960 14.482 ( -1.599 0.000 -2.293) 2.795 15.306 ( -0.198 0.000 3.081) 3.088 15.355 ( -3.543 0.000 0.286) 3.554 15.431 ( 5.352 0.000 -2.224) 5.796 15.528 ( -1.797 0.000 -7.797) 8.001 16.186 ( 2.920 0.000 2.050) 3.568 16.231 ( -1.198 0.000 1.730) 2.105 16.418 ( 3.315 0.000 -4.123) 5.290 16.469 ( -1.389 0.000 -7.019) 7.155 17.039 ( 2.824 0.000 6.507) 7.094 17.088 ( -0.847 0.000 3.767) 3.861 17.273 ( -2.240 0.000 1.085) 2.489 17.307 ( -4.407 0.000 1.713) 4.728 17.466 ( 2.081 0.000 2.350) 3.139 17.475 ( 1.620 0.000 1.518) 2.220 17.704 ( 5.748 0.000 -0.092) 5.749 17.861 ( -8.699 0.000 -2.730) 9.118 18.276 ( 4.245 0.000 2.745) 5.055 18.332 ( -1.593 0.000 2.057) 2.602 18.656 ( 2.313 0.000 -9.256) 9.541 18.703 ( -1.824 0.000 -8.113) 8.315 18.974 ( 0.910 0.000 4.429) 4.522 19.008 ( -2.298 0.000 2.652) 3.509 19.034 ( 0.543 0.000 -0.390) 0.669 19.054 ( -1.760 0.000 1.179) 2.118 20.183 ( 1.816 0.000 5.354) 5.653 20.285 ( -9.646 0.000 10.686) 14.396 20.412 ( 5.550 0.000 -2.011) 5.903 20.525 ( -4.743 0.000 -1.660) 5.025 21.561 ( 0.101 0.000 3.836) 3.837 21.586 ( -3.187 0.000 6.046) 6.835 21.725 ( 3.299 0.000 -0.765) 3.386 21.821 ( -6.163 0.000 -1.475) 6.337 22.333 ( 0.558 0.000 11.132) 11.146 22.333 ( 10.064 0.000 2.573) 10.388 22.359 ( 0.356 0.000 6.910) 6.919 22.598 ( -13.376 0.000 1.249) 13.434 22.854 ( 1.334 0.000 1.455) 1.974 22.925 ( -6.105 0.000 5.172) 8.001 23.006 ( -0.514 0.000 0.901) 1.037 23.008 ( -1.189 0.000 1.271) 1.740 23.085 ( -0.720 0.000 4.173) 4.235 23.124 ( 1.692 0.000 -1.780) 2.456 23.188 ( 5.284 0.000 -0.867) 5.355 23.228 ( -0.514 0.000 0.785) 0.938 23.229 ( -0.470 0.000 1.300) 1.382 23.299 ( -2.538 0.000 -0.143) 2.542 23.376 ( 2.374 0.000 -2.725) 3.614 23.472 ( -6.515 0.000 -2.942) 7.148 23.723 ( 3.350 0.000 0.550) 3.395 23.788 ( -2.511 0.000 -0.041) 2.511 23.888 ( 2.453 0.000 -5.703) 6.208 23.891 ( 1.016 0.000 -6.123) 6.207 24.301 ( 2.417 0.000 7.357) 7.744 24.375 ( -5.514 0.000 7.281) 9.133 24.557 ( 0.897 0.000 -1.063) 1.391 24.575 ( -0.515 0.000 -1.701) 1.777 24.802 ( 1.783 0.000 3.311) 3.760 24.833 ( -0.829 0.000 2.060) 2.221 24.998 ( 0.369 0.000 -0.963) 1.031 25.002 ( -0.031 0.000 -1.339) 1.340 25.347 ( 1.694 0.000 0.475) 1.759 25.404 ( -3.025 0.000 -0.259) 3.036 25.502 ( -0.785 0.000 -4.545) 4.612 25.507 ( -0.757 0.000 -4.269) 4.336 26.470 ( 9.046 0.000 3.985) 9.885 26.643 ( -7.004 0.000 4.654) 8.409 27.116 ( 18.846 0.000 -23.497) 30.121 27.305 ( -3.635 0.000 -14.004) 14.469 ======================= Grid point 36 (15/36) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.000 25.773 25.585) 36.316 1.226 ( 0.000 31.085 29.194) 42.644 1.746 ( 0.000 42.299 36.838) 56.091 1.960 ( 0.000 3.988 6.697) 7.794 2.064 ( 0.000 7.037 -6.152) 9.347 2.237 ( 0.000 15.257 6.696) 16.662 2.379 ( 0.000 7.083 -0.336) 7.091 2.409 ( 0.000 2.117 9.510) 9.743 2.548 ( 0.000 16.805 -1.928) 16.915 2.662 ( 0.000 8.660 2.287) 8.957 2.859 ( 0.000 5.957 -7.349) 9.460 3.011 ( 0.000 11.504 -5.744) 12.859 3.011 ( 0.000 5.433 3.031) 6.221 3.092 ( 0.000 2.360 -16.384) 16.553 3.103 ( 0.000 5.567 -3.260) 6.452 3.342 ( 0.000 4.826 -10.017) 11.119 3.404 ( 0.000 -0.237 -16.438) 16.440 3.548 ( 0.000 -4.396 -5.862) 7.327 3.688 ( 0.000 1.120 -1.038) 1.527 3.724 ( 0.000 -0.239 -1.909) 1.924 3.824 ( 0.000 -1.530 -3.402) 3.730 3.882 ( 0.000 1.164 2.341) 2.615 3.956 ( 0.000 2.634 0.404) 2.665 4.102 ( 0.000 0.625 3.820) 3.871 4.122 ( 0.000 1.239 6.587) 6.703 4.177 ( 0.000 3.744 -1.956) 4.225 4.321 ( 0.000 3.936 3.009) 4.954 4.328 ( 0.000 -7.335 -4.956) 8.852 4.411 ( 0.000 -4.033 7.011) 8.088 4.433 ( 0.000 -8.041 -8.246) 11.518 4.471 ( 0.000 -6.655 1.973) 6.941 4.579 ( 0.000 -0.245 6.441) 6.446 4.617 ( 0.000 -0.345 1.563) 1.601 4.644 ( 0.000 -3.383 -4.297) 5.469 4.715 ( 0.000 -0.345 -5.377) 5.388 4.790 ( 0.000 -4.768 -1.501) 4.999 4.914 ( 0.000 -3.664 2.067) 4.206 4.974 ( 0.000 0.441 5.024) 5.043 5.046 ( 0.000 0.444 2.863) 2.897 5.063 ( 0.000 -1.623 2.572) 3.041 5.120 ( 0.000 5.905 -0.581) 5.934 5.264 ( 0.000 -2.654 -1.794) 3.203 5.268 ( 0.000 -1.681 7.205) 7.398 5.370 ( 0.000 5.695 2.593) 6.258 5.427 ( 0.000 -2.061 0.474) 2.115 5.552 ( 0.000 -4.879 1.987) 5.268 5.577 ( 0.000 -4.390 6.261) 7.647 5.663 ( 0.000 -3.086 4.723) 5.641 5.666 ( 0.000 -0.413 -2.575) 2.608 5.746 ( 0.000 -1.554 -3.620) 3.940 5.781 ( 0.000 -1.490 1.287) 1.969 5.913 ( 0.000 -7.113 1.567) 7.283 5.926 ( 0.000 -3.122 7.157) 7.809 5.968 ( 0.000 -4.767 2.396) 5.335 5.981 ( 0.000 0.235 3.601) 3.608 6.094 ( 0.000 -0.417 0.736) 0.846 6.098 ( 0.000 0.245 -0.881) 0.914 6.209 ( 0.000 2.904 2.178) 3.630 6.226 ( 0.000 1.440 -0.402) 1.495 6.428 ( 0.000 2.062 -0.414) 2.103 6.517 ( 0.000 -3.888 1.007) 4.016 6.538 ( 0.000 2.727 -4.067) 4.897 6.613 ( 0.000 -6.695 -0.101) 6.696 6.695 ( 0.000 -2.771 -8.071) 8.534 6.727 ( 0.000 -2.823 -7.072) 7.615 6.749 ( 0.000 -1.553 -0.201) 1.566 6.790 ( 0.000 -0.904 -0.343) 0.967 6.976 ( 0.000 -5.665 -1.212) 5.793 7.033 ( 0.000 -1.276 -1.889) 2.280 7.078 ( 0.000 -2.081 1.316) 2.462 7.118 ( 0.000 -1.690 1.110) 2.022 7.249 ( 0.000 2.494 -4.740) 5.356 7.313 ( 0.000 -4.768 1.823) 5.105 7.382 ( 0.000 -4.470 -7.696) 8.900 7.461 ( 0.000 -4.642 2.814) 5.429 7.491 ( 0.000 -4.010 0.710) 4.073 7.525 ( 0.000 -6.886 0.748) 6.927 7.565 ( 0.000 -2.576 0.774) 2.690 7.713 ( 0.000 -0.865 -0.718) 1.124 7.778 ( 0.000 -3.873 -3.868) 5.474 7.846 ( 0.000 -8.645 0.400) 8.655 7.856 ( 0.000 -5.613 -3.694) 6.719 7.935 ( 0.000 -4.028 -6.878) 7.971 7.995 ( 0.000 -0.726 -6.458) 6.499 8.076 ( 0.000 0.194 -3.681) 3.686 8.105 ( 0.000 -5.159 -2.507) 5.736 8.248 ( 0.000 -0.101 -5.883) 5.884 8.280 ( 0.000 -4.950 -1.266) 5.109 8.288 ( 0.000 -2.318 2.001) 3.062 8.353 ( 0.000 -2.152 -2.362) 3.195 8.469 ( 0.000 -3.879 0.852) 3.971 8.526 ( 0.000 -1.566 -0.603) 1.678 8.610 ( 0.000 -2.536 0.103) 2.539 8.618 ( 0.000 -0.878 0.429) 0.977 8.651 ( 0.000 -9.021 -1.796) 9.198 8.691 ( 0.000 -2.325 3.980) 4.609 8.759 ( 0.000 -1.335 4.936) 5.114 8.827 ( 0.000 1.027 1.359) 1.704 8.906 ( 0.000 -3.018 6.948) 7.575 9.033 ( 0.000 -1.832 -1.852) 2.605 9.118 ( 0.000 -0.903 1.681) 1.908 9.184 ( 0.000 6.237 3.452) 7.128 9.254 ( 0.000 -7.146 4.413) 8.398 9.369 ( 0.000 0.863 -4.544) 4.625 9.388 ( 0.000 0.540 2.404) 2.464 9.465 ( 0.000 0.212 1.010) 1.032 9.515 ( 0.000 -4.014 8.142) 9.078 9.653 ( 0.000 3.122 1.984) 3.699 9.666 ( 0.000 1.026 7.722) 7.790 9.850 ( 0.000 0.182 1.674) 1.683 9.976 ( 0.000 1.891 2.553) 3.177 10.122 ( 0.000 7.565 -10.537) 12.971 10.306 ( 0.000 7.918 8.067) 11.304 10.370 ( 0.000 2.374 2.725) 3.614 10.658 ( 0.000 5.446 -1.567) 5.667 10.733 ( 0.000 -0.868 2.271) 2.431 10.861 ( 0.000 -8.636 0.517) 8.651 11.083 ( 0.000 -12.914 11.335) 17.183 11.127 ( 0.000 -4.318 -5.479) 6.976 11.247 ( 0.000 -5.807 -6.200) 8.495 11.355 ( 0.000 2.044 -2.797) 3.465 11.494 ( 0.000 3.732 -9.549) 10.253 11.617 ( 0.000 -6.438 -1.092) 6.530 11.624 ( 0.000 8.100 1.026) 8.165 11.765 ( 0.000 -0.239 2.206) 2.219 11.847 ( 0.000 1.365 -2.616) 2.950 11.882 ( 0.000 1.489 3.119) 3.456 12.167 ( 0.000 -1.016 -10.544) 10.593 12.358 ( 0.000 -0.219 3.207) 3.215 12.422 ( 0.000 -4.695 -0.145) 4.698 12.430 ( 0.000 -2.626 -0.517) 2.676 12.793 ( 0.000 -0.613 4.757) 4.796 12.812 ( 0.000 -15.378 20.984) 26.015 12.864 ( 0.000 -0.014 -10.988) 10.988 13.192 ( 0.000 -3.716 4.846) 6.107 13.262 ( 0.000 -1.460 4.356) 4.594 13.360 ( 0.000 -1.943 5.549) 5.879 13.363 ( 0.000 -4.848 -1.206) 4.996 13.507 ( 0.000 3.146 0.871) 3.265 13.543 ( 0.000 -5.085 -1.332) 5.257 13.729 ( 0.000 -9.612 3.340) 10.175 13.808 ( 0.000 0.774 0.001) 0.774 13.972 ( 0.000 -2.746 -0.403) 2.775 14.078 ( 0.000 -3.898 -3.038) 4.942 14.119 ( 0.000 -2.970 3.393) 4.509 14.260 ( 0.000 -0.265 -1.775) 1.794 14.335 ( 0.000 -4.273 -0.355) 4.288 14.422 ( 0.000 -6.316 -2.451) 6.775 15.230 ( 0.000 -4.022 1.928) 4.460 15.374 ( 0.000 -1.817 -0.556) 1.901 15.435 ( 0.000 -0.711 -3.211) 3.289 15.437 ( 0.000 -1.522 -2.154) 2.638 16.165 ( 0.000 0.785 0.168) 0.802 16.217 ( 0.000 -1.750 1.297) 2.178 16.364 ( 0.000 -1.406 -1.916) 2.377 16.437 ( 0.000 -3.619 -6.776) 7.682 16.929 ( 0.000 -6.060 7.363) 9.536 17.061 ( 0.000 -2.465 3.555) 4.326 17.244 ( 0.000 -7.405 -3.371) 8.136 17.360 ( 0.000 -4.468 -5.368) 6.984 17.435 ( 0.000 3.005 5.248) 6.047 17.470 ( 0.000 3.724 7.058) 7.980 17.672 ( 0.000 3.680 0.881) 3.784 18.035 ( 0.000 3.359 -5.474) 6.423 18.181 ( 0.000 -1.826 5.291) 5.597 18.316 ( 0.000 -2.167 2.280) 3.145 18.651 ( 0.000 -1.243 -12.597) 12.658 18.741 ( 0.000 0.597 -8.725) 8.745 19.095 ( 0.000 8.314 -0.378) 8.323 19.097 ( 0.000 13.452 -0.664) 13.469 19.195 ( 0.000 12.702 1.701) 12.815 19.306 ( 0.000 13.812 -0.582) 13.824 20.241 ( 0.000 6.449 2.711) 6.996 20.317 ( 0.000 1.564 6.724) 6.903 20.537 ( 0.000 2.258 -1.034) 2.483 20.623 ( 0.000 5.257 -1.059) 5.362 21.562 ( 0.000 0.106 2.922) 2.924 21.592 ( 0.000 -1.152 4.893) 5.027 21.766 ( 0.000 2.069 -2.032) 2.900 21.896 ( 0.000 -1.915 -2.296) 2.990 22.200 ( 0.000 1.883 3.266) 3.770 22.319 ( 0.000 -0.576 10.509) 10.525 22.400 ( 0.000 1.283 -1.868) 2.266 22.534 ( 0.000 -15.732 19.796) 25.286 22.779 ( 0.000 -4.295 3.801) 5.735 22.804 ( 0.000 -2.442 -0.740) 2.551 22.966 ( 0.000 0.979 -4.378) 4.487 23.088 ( 0.000 4.303 -1.246) 4.480 23.094 ( 0.000 7.938 0.590) 7.960 23.215 ( 0.000 2.463 -2.170) 3.283 23.245 ( 0.000 5.199 0.323) 5.209 23.269 ( 0.000 1.632 -1.268) 2.066 23.392 ( 0.000 13.135 0.935) 13.169 23.438 ( 0.000 7.060 -0.214) 7.064 23.648 ( 0.000 10.795 -0.268) 10.799 23.677 ( 0.000 6.224 0.020) 6.224 23.741 ( 0.000 0.195 1.312) 1.326 23.815 ( 0.000 2.454 -1.718) 2.995 23.868 ( 0.000 10.267 -7.332) 12.616 23.904 ( 0.000 2.913 -6.035) 6.701 24.239 ( 0.000 -2.741 7.332) 7.827 24.356 ( 0.000 -6.104 8.303) 10.305 24.507 ( 0.000 -2.263 -0.731) 2.378 24.578 ( 0.000 -2.102 -1.357) 2.502 24.736 ( 0.000 -4.453 1.997) 4.881 24.796 ( 0.000 -1.445 2.873) 3.215 25.012 ( 0.000 0.677 -1.370) 1.528 25.034 ( 0.000 2.541 -1.353) 2.879 25.268 ( 0.000 -2.700 1.484) 3.081 25.438 ( 0.000 -4.806 -1.391) 5.003 25.535 ( 0.000 0.913 -3.039) 3.173 25.904 ( 0.000 15.734 -25.352) 29.837 26.330 ( 0.000 -3.383 2.988) 4.514 26.590 ( 0.000 -5.277 -2.568) 5.869 26.666 ( 0.000 -5.043 3.338) 6.047 27.217 ( 0.000 -11.521 -10.222) 15.402 ======================= Grid point 37 (16/36) ======================= q-point: ( 0.33 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 19.752 20.893 21.265) 35.761 1.476 ( 21.534 27.437 17.631) 39.081 1.743 ( -15.205 12.344 9.845) 21.920 1.913 ( -16.586 17.597 10.180) 26.237 2.124 ( 22.680 16.371 14.079) 31.314 2.192 ( 4.699 14.064 10.993) 18.458 2.248 ( -0.770 14.060 9.041) 16.734 2.439 ( 2.023 3.305 1.670) 4.220 2.585 ( -1.680 7.334 1.365) 7.646 2.702 ( 1.511 8.217 -4.496) 9.487 2.872 ( -0.181 4.429 -10.445) 11.346 3.014 ( -0.508 8.458 -9.603) 12.807 3.113 ( 3.596 4.569 -4.628) 7.432 3.153 ( 3.533 2.482 -4.418) 6.177 3.186 ( -3.102 7.519 -3.161) 8.726 3.246 ( -3.743 2.306 -10.392) 11.284 3.348 ( -7.378 5.634 -7.089) 11.680 3.466 ( -9.345 7.134 -9.445) 15.081 3.526 ( -0.059 -2.814 -0.047) 2.815 3.652 ( -9.310 -1.881 -4.280) 10.418 3.737 ( -4.023 2.145 -1.591) 4.829 3.827 ( -5.664 4.937 -3.610) 8.336 3.978 ( 5.387 -0.068 6.202) 8.215 4.052 ( 2.269 -4.241 3.464) 5.927 4.140 ( -1.004 1.041 5.143) 5.342 4.196 ( -1.428 0.364 6.630) 6.792 4.226 ( -0.327 -0.849 3.166) 3.294 4.339 ( 0.713 0.310 6.133) 6.182 4.378 ( -1.688 -4.167 -1.817) 4.850 4.427 ( -1.746 -0.161 -1.073) 2.055 4.490 ( -4.604 0.016 5.524) 7.191 4.566 ( 2.904 -3.452 -3.944) 5.992 4.664 ( 7.035 -0.092 -7.631) 10.379 4.750 ( 6.630 -2.898 -2.987) 7.828 4.779 ( 5.177 -5.635 -0.352) 7.660 4.817 ( 0.928 -1.944 -4.398) 4.897 4.897 ( -4.668 -4.598 3.943) 7.646 4.945 ( -2.500 -4.484 2.607) 5.758 5.024 ( 1.836 0.209 3.120) 3.626 5.075 ( -3.677 0.502 0.747) 3.786 5.157 ( 2.163 2.252 -0.467) 3.157 5.220 ( 0.650 0.008 0.720) 0.970 5.304 ( -3.765 -1.036 2.368) 4.567 5.375 ( -0.128 -6.492 0.751) 6.536 5.447 ( 2.725 -2.843 -3.728) 5.423 5.478 ( -1.979 -3.178 3.658) 5.235 5.572 ( 0.959 -3.914 -0.527) 4.064 5.608 ( -0.658 -3.693 5.086) 6.320 5.678 ( -1.027 -0.661 0.464) 1.306 5.746 ( -2.474 -4.339 -1.719) 5.283 5.850 ( 1.019 -2.312 5.756) 6.287 5.886 ( -4.789 -0.693 -1.723) 5.136 5.927 ( 1.048 0.340 0.471) 1.198 5.970 ( 1.706 -4.566 -1.678) 5.155 6.004 ( 1.295 -0.144 2.430) 2.757 6.070 ( -1.319 -1.160 -2.284) 2.882 6.167 ( 3.307 -2.506 1.026) 4.274 6.262 ( -0.193 0.176 -0.783) 0.826 6.362 ( 8.658 -0.839 1.966) 8.918 6.398 ( 8.277 -1.784 2.717) 8.892 6.513 ( -0.560 -1.170 1.199) 1.766 6.587 ( -0.070 -1.039 -4.122) 4.251 6.618 ( -0.384 -1.263 2.499) 2.826 6.654 ( 0.167 -2.335 -10.357) 10.619 6.707 ( -3.190 -3.157 -2.534) 5.154 6.760 ( 1.912 1.069 1.430) 2.616 6.817 ( -0.226 0.481 1.119) 1.238 6.900 ( -6.280 0.503 -3.264) 7.095 7.038 ( 2.901 -5.230 -6.728) 9.002 7.089 ( 0.581 -5.084 -5.674) 7.640 7.227 ( 7.842 -1.868 4.722) 9.343 7.274 ( 1.530 -1.039 -4.522) 4.886 7.334 ( -1.394 -6.266 -2.303) 6.820 7.370 ( 1.100 -2.836 1.790) 3.530 7.479 ( -1.691 -3.693 2.815) 4.942 7.496 ( -1.356 -4.173 2.629) 5.115 7.538 ( 2.625 -6.185 0.872) 6.776 7.608 ( -3.125 -4.933 -2.595) 6.391 7.692 ( 7.099 -4.233 -0.937) 8.318 7.777 ( 0.602 -5.705 -3.954) 6.967 7.824 ( -4.904 -5.146 -5.980) 9.290 7.869 ( 2.430 -4.405 -3.648) 6.214 7.915 ( -2.601 -1.263 -3.458) 4.507 7.990 ( -2.588 -0.485 -2.895) 3.913 8.011 ( -0.135 -6.113 0.140) 6.116 8.110 ( -1.965 -4.116 -1.749) 4.885 8.244 ( -0.314 -0.632 0.576) 0.911 8.272 ( 1.590 -0.073 -4.439) 4.716 8.344 ( -0.049 2.224 -2.786) 3.565 8.381 ( 1.497 -4.281 -0.785) 4.602 8.428 ( -2.269 -1.831 -0.714) 3.001 8.461 ( -1.033 -1.442 -1.723) 2.472 8.587 ( -1.147 -3.755 -0.258) 3.935 8.605 ( -1.589 -5.889 -0.462) 6.117 8.699 ( 3.592 -1.946 -0.499) 4.116 8.715 ( 0.629 -2.974 4.641) 5.548 8.761 ( 1.942 3.034 1.911) 4.078 8.810 ( -1.350 -1.920 3.414) 4.143 8.920 ( -2.340 -5.031 2.434) 6.059 8.970 ( -1.002 -4.211 3.550) 5.598 9.135 ( 1.607 1.359 4.807) 5.248 9.156 ( -1.736 -1.494 6.007) 6.429 9.241 ( -3.833 -2.656 0.159) 4.666 9.311 ( 1.166 0.122 -2.348) 2.625 9.400 ( 1.259 -1.311 -2.123) 2.795 9.474 ( -3.111 -0.134 4.534) 5.500 9.595 ( 6.332 2.516 3.990) 7.896 9.643 ( 0.494 -0.257 9.023) 9.040 9.697 ( 0.815 2.548 -0.480) 2.718 9.807 ( -4.615 0.618 3.827) 6.027 9.990 ( 2.230 3.360 1.497) 4.302 10.061 ( -3.686 6.181 -3.345) 7.936 10.356 ( 4.293 2.103 9.308) 10.464 10.449 ( 4.691 4.350 3.787) 7.434 10.516 ( -3.870 2.431 6.605) 8.032 10.668 ( -9.841 1.201 3.190) 10.415 10.903 ( 3.967 -3.337 -7.211) 8.881 10.963 ( -4.319 -2.267 -8.171) 9.517 11.115 ( -4.435 -9.241 4.233) 11.090 11.219 ( -3.654 -1.915 -4.986) 6.471 11.380 ( 6.699 -3.092 -5.548) 9.231 11.497 ( -4.176 -2.023 -3.617) 5.883 11.630 ( 1.935 4.020 -2.391) 5.062 11.689 ( 3.689 1.352 -2.459) 4.635 11.771 ( 1.141 1.854 0.530) 2.240 11.813 ( -2.539 0.858 1.945) 3.312 11.942 ( 6.811 0.829 -0.653) 6.892 12.087 ( -6.924 -0.147 -3.755) 7.878 12.372 ( 0.672 -0.331 3.821) 3.894 12.439 ( -2.937 -3.521 2.703) 5.323 12.605 ( 11.840 -4.332 -2.130) 12.786 12.728 ( 2.007 -6.494 -4.724) 8.277 12.890 ( 5.445 -0.829 -2.390) 6.004 12.992 ( 4.872 -7.007 3.234) 9.127 13.150 ( -7.648 -2.315 4.026) 8.947 13.214 ( -5.570 -2.063 0.209) 5.944 13.280 ( 2.569 -6.087 7.403) 9.922 13.379 ( -2.136 -3.678 5.699) 7.111 13.480 ( -0.950 0.300 0.450) 1.093 13.508 ( -1.641 -0.517 1.673) 2.400 13.795 ( 4.680 -7.622 0.941) 8.994 13.884 ( 1.714 -3.777 0.370) 4.164 13.986 ( 1.768 -3.739 -1.368) 4.356 14.035 ( -2.522 -2.629 -2.856) 4.629 14.126 ( 1.822 -3.569 3.382) 5.244 14.204 ( -4.317 -2.645 0.215) 5.067 14.373 ( 2.240 -5.218 -2.001) 6.021 14.427 ( -0.132 -4.701 -2.374) 5.268 15.242 ( 1.957 -3.285 1.902) 4.271 15.317 ( -4.405 -2.609 0.812) 5.183 15.441 ( 3.040 -0.249 -3.783) 4.859 15.504 ( 0.814 -2.210 -5.070) 5.590 16.185 ( 1.329 -0.215 0.526) 1.445 16.215 ( -0.268 -0.935 1.726) 1.981 16.371 ( 0.760 -3.509 -4.547) 5.794 16.436 ( -0.221 -3.090 -5.109) 5.975 16.966 ( 3.567 -5.942 6.507) 9.506 17.045 ( -2.670 -4.314 4.115) 6.532 17.198 ( -0.611 -5.272 0.282) 5.314 17.265 ( -5.963 -4.084 -0.758) 7.267 17.499 ( 2.709 2.980 3.883) 5.594 17.516 ( 1.778 4.509 1.303) 5.019 17.715 ( 5.330 2.313 0.746) 5.858 17.906 ( -8.859 3.147 -1.815) 9.575 18.246 ( 3.212 -1.766 2.587) 4.487 18.304 ( -1.044 -1.961 2.093) 3.053 18.661 ( 0.863 -1.245 -10.694) 10.801 18.728 ( -0.920 0.819 -9.349) 9.430 19.074 ( -0.753 10.139 1.518) 10.279 19.122 ( 1.303 11.692 -1.435) 11.851 19.173 ( -1.766 12.347 2.532) 12.727 19.278 ( -1.449 15.228 1.192) 15.343 20.242 ( 0.697 5.627 5.448) 7.863 20.303 ( -2.567 3.970 8.427) 9.663 20.507 ( 1.676 5.798 -2.288) 6.455 20.587 ( -3.929 4.998 -1.826) 6.615 21.564 ( 0.249 0.601 3.745) 3.801 21.585 ( -0.714 0.346 4.861) 4.925 21.747 ( 0.624 1.297 -1.465) 2.054 21.816 ( -5.220 -0.530 -1.415) 5.434 22.312 ( 2.370 -1.335 9.212) 9.605 22.338 ( 2.493 -0.190 5.997) 6.497 22.364 ( 5.010 0.510 6.325) 8.085 22.592 ( -10.892 -1.519 2.165) 11.208 22.660 ( 4.926 -8.694 4.257) 10.861 22.785 ( -2.218 -5.161 1.420) 5.794 23.024 ( 2.042 0.385 -3.255) 3.862 23.076 ( -0.794 1.515 -1.742) 2.441 23.135 ( 1.210 5.648 -0.004) 5.776 23.199 ( -0.871 4.810 0.773) 4.949 23.245 ( 1.351 5.950 -1.130) 6.205 23.283 ( 0.467 4.072 -0.715) 4.160 23.411 ( 2.345 12.109 0.260) 12.336 23.458 ( 2.349 8.327 -0.285) 8.656 23.528 ( -7.135 15.846 0.380) 17.383 23.576 ( -6.709 9.580 -0.494) 11.707 23.745 ( 2.847 2.516 0.374) 3.818 23.805 ( -2.128 1.841 0.040) 2.815 23.900 ( 0.965 3.342 -6.002) 6.937 23.941 ( 1.401 3.766 -5.889) 7.129 24.259 ( 1.838 -2.861 7.698) 8.415 24.331 ( -2.309 -3.060 7.521) 8.441 24.517 ( 1.001 -2.728 -1.694) 3.364 24.572 ( -0.611 -1.848 -0.760) 2.090 24.765 ( 1.910 -3.650 2.424) 4.779 24.798 ( -0.005 -2.466 2.611) 3.592 25.010 ( 0.046 0.731 -1.815) 1.957 25.024 ( -0.748 1.536 -1.813) 2.491 25.301 ( 3.022 -2.911 1.231) 4.373 25.384 ( -4.642 -3.165 0.289) 5.626 25.541 ( 2.215 2.984 -4.886) 6.139 25.660 ( -10.836 10.675 -9.023) 17.686 26.428 ( 8.342 -4.106 3.614) 9.975 26.588 ( -6.401 -5.397 4.138) 9.340 26.959 ( 17.657 -13.075 -15.054) 26.633 27.171 ( -5.229 -12.608 -11.933) 18.130 ======================= Grid point 39 (17/36) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 30.581 13.042) 33.246 1.823 ( 0.000 29.993 21.606) 36.965 2.023 ( 0.000 2.925 4.966) 5.764 2.179 ( 0.000 8.625 -3.316) 9.240 2.414 ( 0.000 10.022 6.761) 12.089 2.461 ( 0.000 6.026 -8.064) 10.066 2.615 ( 0.000 7.477 -0.896) 7.531 2.617 ( 0.000 16.534 4.485) 17.131 2.789 ( 0.000 25.473 4.068) 25.796 2.965 ( 0.000 14.302 7.407) 16.107 2.972 ( 0.000 2.165 0.571) 2.240 3.109 ( 0.000 6.402 -3.896) 7.494 3.148 ( 0.000 6.646 -12.833) 14.452 3.247 ( 0.000 -4.973 5.421) 7.357 3.302 ( 0.000 5.966 3.569) 6.952 3.345 ( 0.000 9.537 -0.201) 9.539 3.515 ( 0.000 14.198 -5.199) 15.120 3.542 ( 0.000 3.438 -5.836) 6.774 3.677 ( 0.000 0.323 1.423) 1.459 3.714 ( 0.000 1.583 -2.683) 3.115 3.821 ( 0.000 1.867 0.113) 1.871 3.917 ( 0.000 -3.219 -3.658) 4.872 4.034 ( 0.000 -1.957 -0.097) 1.959 4.094 ( 0.000 -2.840 -2.142) 3.557 4.123 ( 0.000 3.584 1.679) 3.958 4.221 ( 0.000 1.075 -7.008) 7.090 4.255 ( 0.000 0.747 3.586) 3.663 4.300 ( 0.000 0.096 3.723) 3.724 4.315 ( 0.000 -0.359 -6.757) 6.766 4.349 ( 0.000 -1.823 2.802) 3.343 4.418 ( 0.000 0.047 3.933) 3.933 4.534 ( 0.000 -1.217 -3.451) 3.659 4.575 ( 0.000 -3.368 5.297) 6.277 4.647 ( 0.000 -4.083 2.592) 4.836 4.665 ( 0.000 1.138 1.102) 1.584 4.769 ( 0.000 1.252 -4.015) 4.205 4.861 ( 0.000 -1.845 3.249) 3.736 4.920 ( 0.000 -3.287 6.514) 7.296 5.000 ( 0.000 -1.772 -1.215) 2.149 5.053 ( 0.000 -4.285 -1.460) 4.527 5.191 ( 0.000 -1.690 0.295) 1.716 5.226 ( 0.000 0.500 6.236) 6.256 5.271 ( 0.000 3.832 -1.322) 4.054 5.378 ( 0.000 -2.653 -1.734) 3.169 5.424 ( 0.000 -7.123 3.097) 7.767 5.463 ( 0.000 -3.125 4.179) 5.218 5.491 ( 0.000 -0.452 2.786) 2.822 5.589 ( 0.000 -5.852 -5.032) 7.718 5.609 ( 0.000 -2.841 1.505) 3.215 5.656 ( 0.000 -6.929 10.444) 12.534 5.744 ( 0.000 -1.068 0.719) 1.288 5.800 ( 0.000 -3.752 0.582) 3.797 5.929 ( 0.000 1.365 -0.978) 1.679 5.958 ( 0.000 6.136 5.678) 8.360 6.003 ( 0.000 0.162 0.790) 0.806 6.060 ( 0.000 -0.582 0.935) 1.101 6.078 ( 0.000 -0.613 -3.627) 3.679 6.214 ( 0.000 -3.035 4.246) 5.219 6.300 ( 0.000 5.260 -1.960) 5.614 6.408 ( 0.000 -7.124 -8.427) 11.035 6.432 ( 0.000 -8.846 -2.509) 9.195 6.459 ( 0.000 -4.002 -1.842) 4.406 6.529 ( 0.000 2.087 -1.606) 2.633 6.601 ( 0.000 -7.375 -4.346) 8.561 6.667 ( 0.000 -7.318 0.495) 7.335 6.726 ( 0.000 -1.292 -10.746) 10.823 6.773 ( 0.000 -1.579 -2.147) 2.665 6.869 ( 0.000 -2.803 1.811) 3.337 7.000 ( 0.000 -0.459 -6.403) 6.420 7.022 ( 0.000 -3.323 1.690) 3.728 7.081 ( 0.000 -4.359 -0.154) 4.362 7.163 ( 0.000 -10.582 3.538) 11.157 7.265 ( 0.000 -5.013 -2.055) 5.418 7.292 ( 0.000 -0.382 1.700) 1.742 7.342 ( 0.000 -10.209 -0.368) 10.216 7.374 ( 0.000 -4.923 0.066) 4.923 7.476 ( 0.000 1.024 -1.823) 2.091 7.482 ( 0.000 -3.403 1.489) 3.714 7.623 ( 0.000 -6.461 0.723) 6.501 7.656 ( 0.000 -8.473 -1.813) 8.665 7.728 ( 0.000 -4.861 3.909) 6.238 7.819 ( 0.000 0.651 -4.451) 4.498 7.833 ( 0.000 -4.559 -4.756) 6.588 7.916 ( 0.000 -6.385 -9.514) 11.458 8.002 ( 0.000 -6.340 -1.158) 6.445 8.027 ( 0.000 -4.636 -2.960) 5.500 8.129 ( 0.000 -8.112 0.725) 8.144 8.138 ( 0.000 -7.869 0.885) 7.918 8.261 ( 0.000 -3.042 -1.356) 3.330 8.293 ( 0.000 -6.051 -0.651) 6.086 8.407 ( 0.000 -5.045 2.003) 5.428 8.416 ( 0.000 -5.367 -2.323) 5.848 8.460 ( 0.000 -1.685 1.441) 2.218 8.609 ( 0.000 0.479 3.794) 3.824 8.615 ( 0.000 2.507 -2.350) 3.436 8.693 ( 0.000 0.222 0.726) 0.759 8.712 ( 0.000 -5.438 0.983) 5.526 8.837 ( 0.000 0.467 0.668) 0.815 8.866 ( 0.000 0.938 9.653) 9.698 9.025 ( 0.000 -0.852 -3.145) 3.258 9.113 ( 0.000 -3.232 3.035) 4.433 9.121 ( 0.000 0.063 -2.101) 2.102 9.292 ( 0.000 2.543 4.268) 4.968 9.353 ( 0.000 -2.128 -11.426) 11.622 9.389 ( 0.000 -1.723 10.083) 10.229 9.486 ( 0.000 1.226 4.215) 4.390 9.511 ( 0.000 4.832 3.839) 6.171 9.684 ( 0.000 0.930 2.897) 3.043 9.730 ( 0.000 4.539 6.108) 7.610 9.864 ( 0.000 0.525 0.125) 0.539 10.041 ( 0.000 4.001 -0.868) 4.094 10.151 ( 0.000 -3.080 -9.901) 10.369 10.395 ( 0.000 -0.029 1.175) 1.175 10.427 ( 0.000 2.854 8.146) 8.632 10.649 ( 0.000 -6.395 6.602) 9.191 10.678 ( 0.000 -6.564 7.021) 9.611 10.813 ( 0.000 2.486 4.732) 5.345 10.919 ( 0.000 -2.160 0.860) 2.324 11.041 ( 0.000 -3.369 -3.561) 4.902 11.187 ( 0.000 -1.092 -4.816) 4.938 11.360 ( 0.000 -1.436 -3.213) 3.519 11.473 ( 0.000 -7.061 -1.970) 7.330 11.526 ( 0.000 -1.278 -4.959) 5.121 11.647 ( 0.000 -4.627 -4.402) 6.386 11.815 ( 0.000 -4.146 0.104) 4.147 11.848 ( 0.000 6.287 0.206) 6.290 11.894 ( 0.000 -1.313 0.364) 1.362 12.125 ( 0.000 -3.277 -9.342) 9.900 12.310 ( 0.000 -4.159 -3.065) 5.166 12.339 ( 0.000 -3.038 -6.375) 7.062 12.411 ( 0.000 0.939 -1.719) 1.959 12.681 ( 0.000 -0.924 14.288) 14.318 12.746 ( 0.000 -6.187 -1.633) 6.399 12.842 ( 0.000 -1.324 -3.094) 3.366 13.080 ( 0.000 -7.652 4.394) 8.824 13.163 ( 0.000 -9.494 1.484) 9.609 13.255 ( 0.000 -4.983 3.376) 6.019 13.300 ( 0.000 -3.591 5.613) 6.663 13.471 ( 0.000 -1.023 1.489) 1.807 13.547 ( 0.000 -6.947 5.265) 8.717 13.575 ( 0.000 2.261 0.528) 2.322 13.807 ( 0.000 -1.404 -3.085) 3.389 13.857 ( 0.000 -5.892 2.287) 6.320 13.977 ( 0.000 -5.435 -0.107) 5.436 14.098 ( 0.000 -0.053 -0.018) 0.056 14.188 ( 0.000 -10.001 -1.574) 10.124 14.250 ( 0.000 -0.334 -1.747) 1.779 14.295 ( 0.000 -5.997 -0.277) 6.003 15.182 ( 0.000 -1.908 0.797) 2.068 15.349 ( 0.000 -1.121 -1.713) 2.047 15.395 ( 0.000 -1.906 -1.040) 2.171 15.426 ( 0.000 0.621 -2.322) 2.403 16.178 ( 0.000 0.672 -0.837) 1.074 16.181 ( 0.000 -1.679 0.423) 1.731 16.340 ( 0.000 -0.716 -2.120) 2.238 16.371 ( 0.000 -2.744 -5.720) 6.344 16.826 ( 0.000 -3.979 8.469) 9.357 17.012 ( 0.000 -2.051 1.658) 2.637 17.080 ( 0.000 -8.185 -1.616) 8.343 17.267 ( 0.000 -4.456 -4.888) 6.615 17.494 ( 0.000 2.405 6.809) 7.221 17.539 ( 0.000 2.976 5.206) 5.996 17.805 ( 0.000 8.682 -0.729) 8.713 18.135 ( 0.000 6.829 -4.840) 8.370 18.158 ( 0.000 -0.000 5.484) 5.484 18.294 ( 0.000 0.214 2.109) 2.120 18.618 ( 0.000 -1.641 -13.006) 13.109 18.722 ( 0.000 -1.839 -7.718) 7.934 19.306 ( 0.000 12.090 0.358) 12.095 19.353 ( 0.000 11.020 -0.872) 11.055 19.471 ( 0.000 14.443 2.248) 14.617 19.549 ( 0.000 11.025 2.203) 11.243 20.387 ( 0.000 7.386 1.788) 7.599 20.408 ( 0.000 6.202 4.847) 7.871 20.560 ( 0.000 0.328 1.334) 1.374 20.717 ( 0.000 3.420 -1.365) 3.682 21.571 ( 0.000 0.810 2.546) 2.671 21.605 ( 0.000 1.683 2.518) 3.029 21.778 ( 0.000 -0.362 -1.227) 1.280 21.842 ( 0.000 -3.372 -1.506) 3.693 22.241 ( 0.000 1.819 3.991) 4.386 22.316 ( 0.000 0.376 7.889) 7.898 22.366 ( 0.000 -4.348 13.234) 13.930 22.431 ( 0.000 1.750 -1.769) 2.489 22.692 ( 0.000 -4.553 2.894) 5.395 22.752 ( 0.000 -2.421 -1.198) 2.701 22.989 ( 0.000 0.677 -7.537) 7.567 23.109 ( 0.000 -1.780 -6.181) 6.432 23.242 ( 0.000 6.832 1.274) 6.950 23.276 ( 0.000 4.561 0.856) 4.640 23.377 ( 0.000 6.402 0.582) 6.428 23.404 ( 0.000 9.541 -0.057) 9.541 23.596 ( 0.000 7.057 1.968) 7.326 23.662 ( 0.000 11.790 0.564) 11.804 23.784 ( 0.000 5.790 0.627) 5.824 23.792 ( 0.000 4.886 -0.215) 4.891 23.865 ( 0.000 5.232 -0.234) 5.237 23.886 ( 0.000 11.788 0.453) 11.797 24.006 ( 0.000 7.924 -3.104) 8.510 24.077 ( 0.000 10.183 -4.092) 10.974 24.214 ( 0.000 1.092 5.710) 5.813 24.298 ( 0.000 -0.703 5.702) 5.745 24.442 ( 0.000 -4.094 0.086) 4.095 24.524 ( 0.000 -2.115 -1.450) 2.564 24.684 ( 0.000 -0.038 0.895) 0.896 24.750 ( 0.000 -2.807 1.644) 3.253 24.997 ( 0.000 -2.904 -2.260) 3.680 25.037 ( 0.000 -2.917 -2.704) 3.978 25.249 ( 0.000 1.543 2.539) 2.971 25.354 ( 0.000 -2.529 1.394) 2.888 25.551 ( 0.000 0.593 -2.929) 2.989 26.013 ( 0.000 -0.979 -16.419) 16.448 26.240 ( 0.000 -5.599 2.375) 6.082 26.452 ( 0.000 -8.461 -1.090) 8.531 26.529 ( 0.000 -8.638 1.040) 8.700 26.928 ( 0.000 -16.740 -7.733) 18.440 ======================= Grid point 40 (18/36) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 7.228 22.227 8.781) 24.968 1.938 ( 10.528 20.012 9.794) 24.642 2.052 ( 4.973 13.873 6.054) 15.932 2.152 ( 3.409 13.202 9.812) 16.799 2.303 ( -7.101 6.884 6.210) 11.678 2.488 ( -2.094 11.857 -2.509) 12.299 2.573 ( -5.066 11.875 3.564) 13.394 2.705 ( -3.488 6.551 0.167) 7.424 2.769 ( 2.737 14.435 -0.524) 14.701 2.875 ( -2.172 10.834 1.387) 11.137 3.017 ( 4.955 5.743 -0.741) 7.621 3.111 ( 5.506 2.964 -1.052) 6.341 3.180 ( -1.134 2.875 -4.897) 5.791 3.239 ( 1.037 7.319 -2.070) 7.677 3.284 ( 0.669 3.508 -4.932) 6.089 3.420 ( -1.122 10.232 -3.255) 10.796 3.447 ( -4.682 3.228 -4.897) 7.505 3.537 ( -2.671 4.713 -1.015) 5.512 3.616 ( 0.386 4.877 -1.707) 5.181 3.686 ( -6.767 9.531 1.664) 11.807 3.836 ( -0.753 5.695 -0.563) 5.772 3.886 ( -2.168 -2.919 1.793) 4.054 3.981 ( -1.126 3.357 -0.813) 3.632 4.034 ( 1.568 5.011 3.145) 6.121 4.144 ( -0.260 -0.880 4.416) 4.510 4.197 ( -1.224 -1.863 2.565) 3.399 4.230 ( 0.577 0.371 -4.008) 4.067 4.293 ( -0.790 2.681 -1.928) 3.395 4.373 ( 4.669 2.995 2.536) 6.100 4.416 ( 1.634 -3.479 -1.067) 3.989 4.472 ( -2.843 -1.270 4.172) 5.206 4.534 ( 2.740 -1.966 3.726) 5.026 4.624 ( 1.176 -2.173 2.400) 3.445 4.675 ( 6.958 -1.453 -2.171) 7.433 4.723 ( 1.839 -1.293 -1.087) 2.497 4.753 ( -0.794 -0.555 -3.896) 4.015 4.858 ( -0.571 0.052 4.364) 4.402 4.891 ( -1.782 -2.078 0.109) 2.739 5.003 ( 0.254 -1.050 1.701) 2.015 5.058 ( -4.286 -1.682 -2.041) 5.036 5.108 ( 1.254 -6.015 3.800) 7.225 5.210 ( -2.979 -4.829 3.680) 6.763 5.221 ( -2.237 -2.121 4.631) 5.564 5.321 ( -1.848 -0.881 0.695) 2.162 5.384 ( -3.458 -4.407 -5.256) 7.681 5.411 ( -1.953 -5.426 -0.162) 5.770 5.467 ( -2.812 -3.900 -0.283) 4.816 5.530 ( -1.573 -5.054 3.382) 6.282 5.641 ( 3.371 -1.438 2.991) 4.730 5.684 ( 0.144 -4.523 6.492) 7.914 5.803 ( 0.707 0.740 1.852) 2.116 5.846 ( -0.834 -1.424 1.673) 2.350 5.904 ( 3.105 -2.137 -0.707) 3.835 5.943 ( 0.902 -0.595 -6.088) 6.183 5.985 ( 0.714 0.104 -2.338) 2.447 6.086 ( -5.862 -0.179 -0.312) 5.873 6.149 ( 5.070 0.492 -3.651) 6.267 6.256 ( -1.027 0.104 1.700) 1.989 6.321 ( 3.009 -2.878 4.180) 5.900 6.347 ( -0.035 -3.365 -1.846) 3.838 6.434 ( 3.258 -5.665 -2.267) 6.917 6.472 ( -0.371 -6.604 -0.783) 6.661 6.560 ( -1.408 -5.233 -4.566) 7.087 6.622 ( 0.585 -2.587 -2.526) 3.663 6.651 ( 4.116 -3.040 -4.761) 6.990 6.735 ( -1.948 -3.748 -4.567) 6.221 6.826 ( 1.690 0.385 0.134) 1.738 6.884 ( 2.363 -4.310 0.935) 5.003 6.965 ( -1.069 -1.961 -5.878) 6.288 7.003 ( -3.240 -3.598 -5.566) 7.377 7.124 ( 2.670 -8.547 2.810) 9.384 7.185 ( -1.389 -4.242 2.308) 5.025 7.218 ( 2.599 -7.336 -2.586) 8.201 7.314 ( 1.072 -5.447 5.521) 7.829 7.353 ( 1.475 -8.313 0.778) 8.479 7.440 ( -0.349 -4.295 -0.167) 4.313 7.459 ( 0.654 0.358 -0.417) 0.854 7.520 ( -1.876 -2.649 -1.599) 3.618 7.582 ( 3.762 -5.263 -0.895) 6.531 7.640 ( -1.344 -5.585 -2.008) 6.085 7.722 ( -2.554 -4.517 -2.758) 5.877 7.788 ( 1.483 -5.396 0.184) 5.599 7.854 ( -3.497 -5.593 -2.288) 6.981 7.922 ( 2.843 -1.698 -2.467) 4.130 7.959 ( -2.205 -3.283 -1.766) 4.332 8.022 ( -0.838 -4.746 -6.251) 7.894 8.160 ( 2.515 -8.559 -1.446) 9.037 8.199 ( 2.031 -6.307 1.045) 6.708 8.257 ( -0.402 -6.200 -2.780) 6.806 8.296 ( -0.465 -5.474 -1.214) 5.626 8.361 ( 3.491 -4.007 2.110) 5.718 8.450 ( -0.352 -4.708 -3.023) 5.606 8.482 ( 0.189 -0.921 1.932) 2.149 8.557 ( -6.168 1.011 0.206) 6.254 8.643 ( 0.903 -2.696 5.139) 5.873 8.688 ( 0.718 -1.442 -1.254) 2.041 8.727 ( 1.702 -1.109 1.424) 2.481 8.828 ( -3.815 0.381 8.132) 8.991 8.847 ( 5.125 1.030 2.558) 5.820 8.993 ( -5.852 3.679 -2.168) 7.245 9.081 ( -0.591 -2.644 4.442) 5.203 9.171 ( 3.511 0.723 -4.276) 5.580 9.266 ( -2.896 1.534 0.075) 3.278 9.329 ( -1.725 -1.453 6.547) 6.925 9.381 ( 1.720 -0.149 3.301) 3.725 9.454 ( 0.983 0.698 -1.200) 1.701 9.575 ( -0.536 -0.814 -0.789) 1.254 9.693 ( 1.418 0.376 7.215) 7.362 9.726 ( 1.899 3.005 2.201) 4.181 9.840 ( -6.488 2.605 2.313) 7.364 10.046 ( 3.884 1.019 -2.033) 4.501 10.130 ( -2.351 1.167 -4.451) 5.167 10.389 ( 2.253 0.398 7.612) 7.948 10.502 ( -1.726 -0.458 7.411) 7.623 10.528 ( 0.356 -2.289 3.392) 4.107 10.643 ( -4.001 -3.987 4.025) 6.935 10.894 ( 1.499 1.117 -3.980) 4.397 10.951 ( -0.538 0.947 -4.152) 4.293 10.969 ( 0.485 -3.402 2.891) 4.490 11.140 ( -6.059 -4.558 3.113) 8.197 11.325 ( 4.232 -2.807 -8.973) 10.310 11.441 ( -4.746 -3.432 -8.275) 10.138 11.620 ( 6.530 -3.708 -1.581) 7.674 11.734 ( -0.965 -2.506 -3.006) 4.031 11.780 ( 1.948 -1.296 -0.937) 2.520 11.832 ( -0.904 3.864 0.459) 3.995 11.926 ( 4.656 -3.119 1.939) 5.930 12.060 ( -6.522 -2.862 -2.049) 7.411 12.329 ( 1.682 -7.189 -10.573) 12.896 12.366 ( -0.253 -0.092 -0.433) 0.510 12.535 ( 8.915 -2.718 -3.345) 9.903 12.615 ( -0.706 -5.048 -2.958) 5.893 12.834 ( 1.528 -3.889 1.711) 4.515 12.873 ( 1.992 -5.341 2.840) 6.368 13.053 ( -4.930 -6.675 5.133) 9.757 13.129 ( 1.186 -5.684 3.775) 6.925 13.191 ( 0.706 -5.078 3.051) 5.966 13.298 ( -5.361 -3.511 8.223) 10.425 13.464 ( 2.024 -1.197 2.044) 3.116 13.530 ( -2.903 1.381 0.382) 3.238 13.659 ( 7.543 -5.377 2.198) 9.521 13.806 ( -3.910 -4.557 1.814) 6.272 13.879 ( 3.292 -4.828 -2.181) 6.237 13.954 ( -1.676 -4.678 0.302) 4.978 14.064 ( -0.927 -3.184 0.642) 3.378 14.153 ( -4.776 -2.809 1.899) 5.857 14.243 ( 2.687 -6.170 -3.726) 7.692 14.334 ( 0.739 -4.286 -1.686) 4.665 15.202 ( 2.340 -1.358 1.047) 2.901 15.281 ( -4.655 -1.208 0.803) 4.876 15.421 ( 2.037 -1.087 -4.054) 4.666 15.463 ( 1.170 -1.506 -3.015) 3.568 16.178 ( 0.278 -0.334 -0.548) 0.699 16.205 ( 1.262 -0.216 0.723) 1.470 16.318 ( -1.058 -1.485 -4.814) 5.147 16.376 ( 0.020 -2.397 -4.022) 4.682 16.853 ( 2.960 -4.947 7.722) 9.636 16.943 ( -5.190 -5.466 4.109) 8.585 17.108 ( 2.552 -3.461 -0.629) 4.346 17.189 ( -5.178 -3.223 -1.859) 6.376 17.559 ( 4.333 2.486 4.649) 6.824 17.605 ( 2.781 3.279 1.182) 4.459 17.809 ( 2.279 6.978 0.416) 7.353 17.977 ( -8.567 3.973 -0.480) 9.456 18.246 ( 2.473 2.215 1.631) 3.699 18.291 ( -0.240 1.197 1.695) 2.089 18.629 ( 0.816 -1.662 -11.403) 11.552 18.714 ( -0.588 -1.718 -8.717) 8.904 19.301 ( -0.131 12.516 0.840) 12.544 19.380 ( 2.089 12.471 -1.076) 12.690 19.438 ( -2.465 13.656 2.889) 14.174 19.537 ( -0.832 10.889 2.466) 11.196 20.375 ( -0.101 7.069 3.903) 8.076 20.422 ( -0.297 6.927 5.333) 8.747 20.583 ( 3.336 1.904 -1.237) 4.035 20.673 ( -4.093 2.998 -1.550) 5.305 21.583 ( 1.157 1.182 2.882) 3.322 21.605 ( -0.506 1.523 3.070) 3.464 21.758 ( -0.505 -0.150 -1.584) 1.669 21.798 ( -3.052 -1.365 -1.314) 3.593 22.290 ( 1.364 -0.890 8.730) 8.881 22.324 ( -1.022 -1.104 8.661) 8.791 22.374 ( 7.276 0.403 4.263) 8.443 22.535 ( 1.579 -2.087 1.715) 3.129 22.592 ( -3.548 -1.799 0.570) 4.019 22.710 ( -4.000 -2.692 -0.222) 4.827 23.024 ( 2.182 -0.713 -6.829) 7.205 23.070 ( -2.644 -1.026 -6.337) 6.943 23.263 ( 2.956 6.285 1.736) 7.159 23.322 ( -0.774 6.768 0.739) 6.852 23.361 ( 1.718 4.873 -0.004) 5.167 23.404 ( -0.954 7.455 -0.430) 7.529 23.614 ( 2.099 7.707 2.147) 8.271 23.657 ( -0.938 9.747 1.677) 9.935 23.747 ( -1.635 8.307 -0.474) 8.480 23.780 ( -2.703 8.270 -0.628) 8.724 23.848 ( 1.324 7.531 0.519) 7.664 23.891 ( -0.912 8.872 0.901) 8.965 24.022 ( 1.557 7.334 -4.034) 8.514 24.060 ( -1.606 8.931 -3.861) 9.862 24.237 ( 1.653 1.374 5.928) 6.306 24.297 ( -0.622 -0.063 5.339) 5.376 24.457 ( 1.854 -2.996 -0.967) 3.653 24.520 ( -0.939 -2.413 -0.969) 2.764 24.702 ( 1.153 -1.747 1.493) 2.571 24.742 ( -0.475 -2.610 2.521) 3.660 24.995 ( 0.163 -2.984 -3.129) 4.327 25.015 ( -1.642 -3.086 -3.339) 4.834 25.272 ( 2.212 0.792 2.793) 3.650 25.334 ( -2.412 -0.863 2.724) 3.740 25.594 ( 5.739 1.934 -5.167) 7.961 25.793 ( -13.654 2.824 -9.418) 16.825 26.318 ( 6.631 -6.840 2.814) 9.933 26.446 ( -4.926 -8.695 3.028) 10.442 26.689 ( 12.390 -13.729 -7.758) 20.055 26.873 ( -5.730 -16.513 -8.093) 19.261 ======================= Grid point 42 (19/36) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 0.000 7.391 2.796) 7.902 2.198 ( 0.000 24.634 7.557) 25.767 2.264 ( 0.000 7.245 -2.806) 7.769 2.397 ( 0.000 14.502 8.061) 16.592 2.530 ( 0.000 7.601 -0.485) 7.617 2.570 ( 0.000 2.318 6.724) 7.112 2.710 ( 0.000 3.709 -6.313) 7.322 2.778 ( 0.000 8.647 -1.220) 8.732 2.886 ( 0.000 -11.091 5.020) 12.174 3.004 ( 0.000 -7.257 3.898) 8.238 3.094 ( 0.000 2.467 -3.724) 4.467 3.159 ( 0.000 4.034 4.342) 5.927 3.298 ( 0.000 7.347 7.107) 10.222 3.342 ( 0.000 9.339 -4.430) 10.337 3.374 ( 0.000 3.771 0.678) 3.831 3.461 ( 0.000 1.115 0.524) 1.232 3.629 ( 0.000 -0.597 1.705) 1.807 3.645 ( 0.000 0.660 -2.912) 2.986 3.752 ( 0.000 4.084 -1.384) 4.312 3.796 ( 0.000 0.185 -1.508) 1.520 3.842 ( 0.000 4.468 3.041) 5.405 3.848 ( 0.000 -2.494 4.482) 5.129 4.026 ( 0.000 6.731 4.449) 8.068 4.140 ( 0.000 4.820 -3.704) 6.078 4.184 ( 0.000 -1.127 -2.485) 2.728 4.205 ( 0.000 -3.246 -3.049) 4.454 4.242 ( 0.000 1.991 4.996) 5.378 4.281 ( 0.000 0.959 2.375) 2.561 4.376 ( 0.000 0.149 2.161) 2.167 4.396 ( 0.000 2.849 -2.816) 4.006 4.476 ( 0.000 -6.212 -4.191) 7.494 4.476 ( 0.000 1.106 0.672) 1.295 4.528 ( 0.000 6.097 -4.153) 7.377 4.653 ( 0.000 0.752 1.918) 2.060 4.738 ( 0.000 4.545 -6.759) 8.146 4.826 ( 0.000 2.505 4.745) 5.366 4.841 ( 0.000 -5.129 9.467) 10.767 4.881 ( 0.000 6.776 5.558) 8.764 4.947 ( 0.000 2.194 -6.218) 6.594 4.985 ( 0.000 -2.561 -3.784) 4.569 5.106 ( 0.000 -5.264 -4.711) 7.064 5.222 ( 0.000 -1.895 3.108) 3.640 5.268 ( 0.000 -3.933 -1.583) 4.240 5.327 ( 0.000 -8.661 6.058) 10.569 5.354 ( 0.000 2.964 -2.891) 4.141 5.413 ( 0.000 2.942 5.958) 6.644 5.438 ( 0.000 -5.013 -2.566) 5.632 5.475 ( 0.000 -1.632 0.471) 1.699 5.564 ( 0.000 -1.964 1.630) 2.552 5.629 ( 0.000 1.426 5.345) 5.532 5.693 ( 0.000 -4.141 2.249) 4.712 5.756 ( 0.000 -1.448 1.772) 2.288 5.900 ( 0.000 -5.835 5.546) 8.050 5.948 ( 0.000 -0.884 -1.347) 1.611 6.056 ( 0.000 1.369 -3.748) 3.990 6.061 ( 0.000 -3.505 -2.981) 4.601 6.103 ( 0.000 -4.572 -2.041) 5.007 6.207 ( 0.000 4.833 -2.246) 5.329 6.254 ( 0.000 -1.577 4.215) 4.501 6.297 ( 0.000 -0.980 -2.468) 2.655 6.348 ( 0.000 -2.694 -1.992) 3.351 6.438 ( 0.000 -8.487 -0.666) 8.513 6.477 ( 0.000 -0.788 -1.601) 1.784 6.526 ( 0.000 -0.066 0.165) 0.178 6.585 ( 0.000 -3.704 -7.545) 8.405 6.690 ( 0.000 4.688 -8.367) 9.591 6.721 ( 0.000 -3.752 -1.744) 4.138 6.840 ( 0.000 -12.841 -1.130) 12.891 6.845 ( 0.000 -2.701 1.114) 2.922 6.895 ( 0.000 -10.706 4.611) 11.657 6.976 ( 0.000 -7.147 -2.408) 7.541 7.023 ( 0.000 -2.273 0.095) 2.275 7.143 ( 0.000 -4.672 3.449) 5.808 7.187 ( 0.000 -8.135 -2.584) 8.535 7.262 ( 0.000 1.491 3.191) 3.522 7.312 ( 0.000 1.586 -2.624) 3.066 7.461 ( 0.000 -6.457 -1.405) 6.608 7.469 ( 0.000 -2.427 0.499) 2.477 7.545 ( 0.000 -1.252 -0.544) 1.365 7.554 ( 0.000 -1.415 -0.684) 1.571 7.622 ( 0.000 -2.433 0.037) 2.433 7.744 ( 0.000 -6.337 -2.039) 6.657 7.779 ( 0.000 -0.818 2.026) 2.185 7.804 ( 0.000 -6.322 -4.730) 7.896 7.877 ( 0.000 -4.815 -3.195) 5.778 7.901 ( 0.000 -4.310 -5.142) 6.709 8.037 ( 0.000 -2.155 1.300) 2.517 8.064 ( 0.000 -2.704 4.183) 4.981 8.164 ( 0.000 -1.241 -2.239) 2.560 8.185 ( 0.000 -2.726 -0.347) 2.749 8.337 ( 0.000 -3.769 6.899) 7.861 8.370 ( 0.000 -0.995 -2.808) 2.979 8.495 ( 0.000 1.967 1.937) 2.761 8.593 ( 0.000 0.875 0.940) 1.284 8.633 ( 0.000 -0.724 -2.774) 2.867 8.704 ( 0.000 1.112 -1.673) 2.009 8.724 ( 0.000 7.009 3.696) 7.924 8.881 ( 0.000 4.241 -0.068) 4.242 8.913 ( 0.000 2.772 6.027) 6.634 8.981 ( 0.000 -2.327 3.806) 4.461 9.085 ( 0.000 -1.782 0.487) 1.847 9.095 ( 0.000 -2.708 -3.424) 4.366 9.307 ( 0.000 0.996 4.687) 4.791 9.310 ( 0.000 -1.883 -5.866) 6.161 9.400 ( 0.000 1.542 2.933) 3.313 9.491 ( 0.000 -0.734 -2.488) 2.594 9.608 ( 0.000 4.042 7.072) 8.146 9.696 ( 0.000 0.013 2.518) 2.518 9.817 ( 0.000 3.835 4.051) 5.578 9.852 ( 0.000 -2.095 -1.343) 2.488 10.038 ( 0.000 -8.308 -8.654) 11.997 10.114 ( 0.000 3.490 -3.825) 5.177 10.357 ( 0.000 -4.912 3.800) 6.210 10.404 ( 0.000 -6.163 6.310) 8.820 10.477 ( 0.000 -9.867 2.801) 10.257 10.511 ( 0.000 -6.374 9.315) 11.287 10.860 ( 0.000 0.857 10.788) 10.822 10.919 ( 0.000 -0.930 -0.618) 1.116 11.054 ( 0.000 5.243 -3.850) 6.504 11.081 ( 0.000 -11.056 -4.215) 11.832 11.284 ( 0.000 -7.064 -4.139) 8.187 11.361 ( 0.000 -3.418 0.601) 3.470 11.514 ( 0.000 0.781 -2.020) 2.166 11.532 ( 0.000 -5.529 -7.776) 9.541 11.702 ( 0.000 -6.461 -0.877) 6.521 11.844 ( 0.000 -2.496 -0.092) 2.498 11.917 ( 0.000 0.349 -2.184) 2.212 12.061 ( 0.000 -2.860 -7.107) 7.661 12.229 ( 0.000 -4.391 -10.880) 11.733 12.293 ( 0.000 -2.336 -13.363) 13.565 12.449 ( 0.000 2.754 -2.503) 3.721 12.564 ( 0.000 -10.095 -5.968) 11.727 12.705 ( 0.000 2.213 9.180) 9.443 12.815 ( 0.000 -1.673 1.952) 2.571 12.921 ( 0.000 -7.484 3.754) 8.373 12.951 ( 0.000 -10.516 3.156) 10.980 13.165 ( 0.000 -3.900 5.198) 6.498 13.254 ( 0.000 -1.114 7.290) 7.374 13.395 ( 0.000 -7.672 6.087) 9.793 13.487 ( 0.000 1.615 2.141) 2.682 13.633 ( 0.000 2.721 -0.492) 2.765 13.749 ( 0.000 -3.513 -4.704) 5.871 13.811 ( 0.000 0.677 2.771) 2.852 13.896 ( 0.000 -3.137 1.700) 3.568 14.017 ( 0.000 -6.262 -0.028) 6.262 14.109 ( 0.000 1.074 -0.995) 1.464 14.178 ( 0.000 -5.984 2.635) 6.539 14.252 ( 0.000 0.450 -2.088) 2.136 15.140 ( 0.000 -2.249 3.035) 3.777 15.327 ( 0.000 -1.062 -2.193) 2.436 15.372 ( 0.000 -0.691 -1.143) 1.335 15.460 ( 0.000 2.404 -1.423) 2.794 16.158 ( 0.000 -0.760 0.214) 0.790 16.192 ( 0.000 0.757 -0.853) 1.140 16.335 ( 0.000 -0.993 -6.299) 6.377 16.341 ( 0.000 0.653 -3.433) 3.495 16.777 ( 0.000 -1.152 9.584) 9.653 16.946 ( 0.000 -5.389 0.085) 5.390 16.985 ( 0.000 -0.902 0.094) 0.907 17.195 ( 0.000 -2.902 -3.522) 4.564 17.524 ( 0.000 0.803 7.984) 8.024 17.575 ( 0.000 0.587 5.048) 5.082 17.965 ( 0.000 6.977 -1.716) 7.185 18.188 ( 0.000 2.855 4.886) 5.659 18.279 ( 0.000 6.990 -7.352) 10.145 18.320 ( 0.000 2.090 1.932) 2.846 18.600 ( 0.000 0.117 -12.283) 12.284 18.685 ( 0.000 -1.727 -7.667) 7.859 19.522 ( 0.000 6.676 3.433) 7.508 19.536 ( 0.000 10.863 0.920) 10.902 19.731 ( 0.000 7.459 1.906) 7.699 19.735 ( 0.000 12.152 1.263) 12.217 20.491 ( 0.000 0.514 1.768) 1.841 20.501 ( 0.000 3.991 0.540) 4.027 20.582 ( 0.000 3.278 3.266) 4.627 20.743 ( 0.000 -0.629 -0.909) 1.106 21.590 ( 0.000 1.108 2.169) 2.435 21.641 ( 0.000 1.828 1.239) 2.208 21.763 ( 0.000 -1.035 -0.711) 1.256 21.779 ( 0.000 -2.758 -0.643) 2.832 22.262 ( 0.000 0.418 6.119) 6.133 22.308 ( 0.000 -1.726 9.478) 9.634 22.336 ( 0.000 1.033 4.669) 4.782 22.465 ( 0.000 1.670 -1.793) 2.451 22.610 ( 0.000 -3.596 2.743) 4.523 22.718 ( 0.000 -1.059 -1.796) 2.085 22.988 ( 0.000 -0.634 -9.551) 9.572 23.061 ( 0.000 -2.755 -8.443) 8.881 23.342 ( 0.000 1.914 2.491) 3.141 23.354 ( 0.000 4.396 1.055) 4.521 23.474 ( 0.000 2.893 2.103) 3.577 23.557 ( 0.000 5.162 -0.336) 5.172 23.689 ( 0.000 3.947 3.174) 5.065 23.810 ( 0.000 4.821 0.701) 4.872 23.878 ( 0.000 4.389 -0.312) 4.401 23.939 ( 0.000 7.125 -0.600) 7.150 24.005 ( 0.000 6.506 1.040) 6.589 24.069 ( 0.000 5.936 -1.116) 6.040 24.172 ( 0.000 7.747 0.753) 7.784 24.200 ( 0.000 1.571 -1.159) 1.952 24.285 ( 0.000 -0.944 2.844) 2.997 24.305 ( 0.000 5.806 2.908) 6.494 24.382 ( 0.000 1.329 1.634) 2.106 24.571 ( 0.000 7.380 -2.237) 7.711 24.717 ( 0.000 0.146 0.641) 0.658 24.764 ( 0.000 7.567 -1.335) 7.684 24.912 ( 0.000 -4.522 -2.175) 5.018 24.961 ( 0.000 -3.113 -1.747) 3.570 25.307 ( 0.000 3.557 2.056) 4.108 25.351 ( 0.000 1.702 3.177) 3.604 25.554 ( 0.000 -0.247 -2.264) 2.278 25.946 ( 0.000 -4.819 -9.993) 11.094 26.121 ( 0.000 -6.265 1.541) 6.452 26.279 ( 0.000 -8.716 -0.349) 8.723 26.344 ( 0.000 -9.814 -0.266) 9.817 26.607 ( 0.000 -15.304 -5.461) 16.249 ======================= Grid point 43 (20/36) ======================= q-point: ( 0.33 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.111 5.886 -0.999) 5.971 2.198 ( -2.630 6.154 0.274) 6.698 2.334 ( 3.161 10.023 1.703) 10.647 2.407 ( 7.048 15.690 7.206) 18.649 2.538 ( -2.011 9.996 6.814) 12.264 2.624 ( 1.869 2.359 5.423) 6.203 2.706 ( -4.147 -0.237 -2.447) 4.821 2.767 ( 5.983 4.232 0.142) 7.330 2.865 ( 1.343 5.640 2.876) 6.472 3.020 ( 0.068 2.145 -0.294) 2.166 3.085 ( -8.481 5.103 4.760) 10.983 3.115 ( -3.068 2.329 4.048) 5.588 3.297 ( 2.734 3.210 1.027) 4.340 3.350 ( 6.593 4.488 -3.112) 8.561 3.433 ( -2.645 6.321 -4.949) 8.452 3.467 ( 1.088 0.801 1.951) 2.373 3.561 ( 0.121 3.431 -0.796) 3.524 3.587 ( -4.137 1.789 0.684) 4.559 3.702 ( -0.292 -0.497 1.362) 1.480 3.710 ( -3.144 0.031 1.963) 3.707 3.886 ( -1.421 3.371 -1.489) 3.950 3.956 ( 2.665 1.145 -1.169) 3.127 4.054 ( -5.028 0.429 2.509) 5.635 4.081 ( -1.942 -0.246 -1.107) 2.248 4.116 ( 1.016 -3.391 2.021) 4.076 4.194 ( -0.781 1.211 1.560) 2.124 4.281 ( -0.435 -0.421 0.259) 0.658 4.321 ( 5.150 0.503 0.981) 5.267 4.380 ( 4.765 4.399 -2.638) 7.001 4.427 ( 1.490 -0.570 -0.045) 1.596 4.502 ( -0.147 2.675 -1.540) 3.090 4.542 ( 5.440 4.936 -1.019) 7.416 4.625 ( 5.465 -0.591 0.277) 5.504 4.670 ( 2.775 3.893 -1.362) 4.971 4.745 ( -3.267 -0.890 2.099) 3.983 4.812 ( -1.686 0.155 1.623) 2.345 4.848 ( 0.064 2.279 2.873) 3.667 4.882 ( -0.912 4.380 -3.124) 5.456 4.931 ( 1.891 -5.462 2.138) 6.163 5.018 ( -0.948 -3.304 -3.268) 4.743 5.060 ( 0.270 3.456 -2.789) 4.449 5.178 ( -6.383 1.643 4.101) 7.762 5.235 ( -3.280 1.543 2.147) 4.213 5.271 ( -0.960 -3.755 0.526) 3.911 5.308 ( -1.471 -0.285 3.223) 3.554 5.338 ( -4.284 -0.784 -1.667) 4.663 5.382 ( -2.560 -3.699 3.072) 5.447 5.459 ( -0.418 0.180 0.310) 0.551 5.558 ( 0.086 -6.418 2.338) 6.831 5.628 ( -0.761 -2.411 2.662) 3.671 5.795 ( 2.751 -2.808 0.048) 3.932 5.827 ( 5.689 -1.932 0.437) 6.024 5.869 ( -1.119 -2.945 1.896) 3.677 5.932 ( -1.607 1.057 -2.767) 3.369 5.938 ( -0.935 -3.775 -1.736) 4.259 6.074 ( -2.599 -3.878 4.101) 6.214 6.147 ( -0.540 2.462 -6.867) 7.315 6.213 ( 0.733 -5.591 2.103) 6.019 6.270 ( -2.552 -3.568 -2.213) 4.914 6.309 ( 5.392 1.610 -1.790) 5.905 6.367 ( -1.443 -1.719 2.062) 3.048 6.414 ( 0.931 -4.824 -0.421) 4.931 6.460 ( -0.358 0.201 -0.939) 1.025 6.541 ( 0.976 -4.907 -1.574) 5.244 6.616 ( -0.939 -6.603 -3.548) 7.554 6.675 ( 1.345 -1.229 -7.080) 7.311 6.759 ( 2.013 -2.452 -3.791) 4.944 6.805 ( -1.848 -6.000 -2.388) 6.717 6.848 ( -0.254 -2.824 3.689) 4.653 6.914 ( 0.526 -8.574 2.231) 8.875 6.990 ( 2.399 -5.241 -0.782) 5.817 7.049 ( -1.477 -7.103 -2.464) 7.662 7.113 ( 0.837 -4.847 1.005) 5.021 7.169 ( -2.347 -4.752 -0.129) 5.302 7.255 ( 1.292 -1.171 4.202) 4.549 7.345 ( -0.271 -3.739 3.372) 5.042 7.461 ( 1.012 -1.816 -3.920) 4.438 7.475 ( 1.106 -5.012 -0.506) 5.157 7.514 ( -0.038 -2.354 -2.369) 3.340 7.598 ( -1.779 -2.432 -1.080) 3.201 7.626 ( 1.419 -0.755 -1.266) 2.046 7.729 ( -1.699 -4.566 -0.822) 4.941 7.742 ( 1.162 0.014 2.831) 3.060 7.807 ( -0.348 -9.021 -2.589) 9.392 7.925 ( 0.720 -1.335 -5.634) 5.835 7.947 ( 1.701 -2.001 -4.996) 5.644 8.021 ( 2.704 -3.612 -1.781) 4.851 8.092 ( -1.424 -4.780 -2.740) 5.691 8.177 ( 3.101 -0.181 2.510) 3.994 8.218 ( 0.507 -0.792 -1.684) 1.928 8.329 ( 0.981 -1.013 1.807) 2.292 8.349 ( -1.318 -3.283 0.087) 3.539 8.493 ( -0.004 0.860 -0.224) 0.889 8.566 ( -1.257 -0.283 4.449) 4.632 8.603 ( 0.058 -0.746 0.173) 0.768 8.681 ( -5.137 2.160 -1.056) 5.672 8.762 ( 0.479 2.482 3.411) 4.246 8.855 ( 1.812 3.586 3.033) 5.034 8.929 ( 2.749 4.895 5.257) 7.692 9.020 ( -0.323 -0.307 1.161) 1.244 9.075 ( -0.913 0.511 4.130) 4.260 9.152 ( 3.644 -2.939 -6.330) 7.873 9.223 ( -1.481 -2.568 4.218) 5.156 9.307 ( -5.335 -0.471 3.399) 6.343 9.410 ( 1.415 1.984 -0.246) 2.449 9.488 ( 1.374 1.135 -0.439) 1.835 9.581 ( 0.028 1.321 -1.454) 1.965 9.689 ( -2.722 0.124 4.672) 5.409 9.790 ( 0.865 2.527 2.536) 3.684 9.877 ( -5.788 0.223 0.347) 5.802 10.005 ( 5.565 -4.751 -3.699) 8.199 10.133 ( -1.892 -0.912 -1.994) 2.896 10.352 ( 1.233 -4.150 2.654) 5.078 10.418 ( -2.827 -5.591 1.966) 6.566 10.451 ( 2.103 -7.413 6.269) 9.934 10.502 ( -1.828 -8.678 6.698) 11.114 10.863 ( 1.163 -4.273 2.652) 5.162 10.922 ( -0.234 -1.615 -1.004) 1.915 11.043 ( 0.553 5.679 -1.671) 5.946 11.097 ( -6.052 -1.440 -1.011) 6.303 11.237 ( 7.771 -4.453 -3.479) 9.608 11.388 ( -4.468 -2.424 -5.890) 7.780 11.527 ( 2.786 -4.534 -2.514) 5.885 11.623 ( 0.050 -6.477 -2.136) 6.820 11.722 ( 6.547 -5.261 -2.128) 8.665 11.821 ( 3.783 -4.579 -0.004) 5.940 11.906 ( -4.241 0.619 -1.577) 4.567 11.984 ( -9.065 -4.275 1.296) 10.106 12.188 ( 0.969 -6.091 -15.521) 16.701 12.371 ( 2.831 -1.247 -8.033) 8.608 12.464 ( 0.057 -4.225 -9.610) 10.498 12.524 ( -1.069 -3.906 -8.313) 9.247 12.770 ( 2.744 -4.070 5.061) 7.050 12.794 ( 1.515 -0.306 7.138) 7.304 12.939 ( -0.293 -4.758 5.209) 7.062 13.022 ( -1.382 -5.263 1.426) 5.625 13.071 ( 2.350 -5.267 7.890) 9.773 13.235 ( -4.962 -3.730 9.364) 11.234 13.414 ( 4.816 -3.586 1.809) 6.271 13.540 ( -6.745 -0.272 -1.132) 6.845 13.607 ( 8.109 -0.446 2.403) 8.469 13.753 ( -4.287 -0.998 1.506) 4.652 13.818 ( 2.571 -1.075 -1.496) 3.164 13.878 ( -1.377 -3.181 1.034) 3.617 13.994 ( -1.099 -3.109 1.293) 3.542 14.099 ( -2.727 -2.596 3.761) 5.322 14.174 ( 2.586 -1.357 -3.340) 4.437 14.273 ( 0.199 -1.907 -1.726) 2.580 15.173 ( 3.181 -1.675 2.323) 4.280 15.259 ( -4.619 -1.178 0.510) 4.794 15.414 ( 2.271 0.136 -2.872) 3.665 15.455 ( -0.743 0.738 -2.158) 2.398 16.173 ( 1.022 -0.235 -0.409) 1.126 16.202 ( 0.610 -0.094 -0.019) 0.617 16.310 ( -0.942 0.397 -5.892) 5.980 16.351 ( 0.034 -0.325 -4.875) 4.886 16.784 ( 1.082 -2.162 8.894) 9.217 16.850 ( -4.636 -3.751 5.283) 7.966 17.062 ( 3.694 -1.500 -1.531) 4.270 17.139 ( -3.934 -1.945 -2.085) 4.859 17.585 ( 4.892 0.396 5.583) 7.434 17.631 ( 2.256 -0.307 3.220) 3.944 17.952 ( 0.452 6.763 -0.580) 6.803 18.059 ( -7.741 4.291 -0.213) 8.854 18.317 ( 1.641 4.193 0.169) 4.506 18.353 ( 1.020 4.606 -0.136) 4.720 18.606 ( 0.563 -0.443 -11.401) 11.423 18.677 ( -0.530 -1.769 -8.645) 8.840 19.531 ( 1.520 10.125 2.025) 10.437 19.591 ( 3.619 9.344 0.461) 10.031 19.681 ( -3.881 10.864 2.537) 11.812 19.709 ( -1.988 6.910 2.910) 7.757 20.489 ( 0.874 4.060 1.828) 4.538 20.538 ( -0.400 4.395 3.105) 5.396 20.595 ( 3.998 0.036 0.024) 3.998 20.695 ( -4.459 -0.540 -0.806) 4.563 21.607 ( 1.484 1.219 2.178) 2.904 21.636 ( -0.805 1.586 1.896) 2.600 21.746 ( -0.846 -0.952 -1.312) 1.829 21.768 ( -0.850 -1.547 -0.645) 1.879 22.277 ( 0.641 -0.439 8.108) 8.146 22.301 ( -0.421 -1.093 8.782) 8.860 22.382 ( 5.052 0.455 2.828) 5.808 22.512 ( -2.147 -0.763 1.951) 3.000 22.562 ( 1.561 -0.922 -0.927) 2.036 22.675 ( -3.990 -1.048 -1.258) 4.313 23.001 ( 0.872 -1.395 -9.184) 9.330 23.039 ( -1.409 -2.083 -8.571) 8.933 23.359 ( 2.716 3.051 2.368) 4.721 23.421 ( 3.319 3.190 0.729) 4.661 23.439 ( -2.028 2.862 1.978) 4.027 23.518 ( -3.315 3.856 0.219) 5.090 23.727 ( 3.292 4.596 2.674) 6.253 23.795 ( -2.395 5.033 2.083) 5.950 23.874 ( 0.907 4.966 -1.269) 5.205 23.923 ( -2.673 6.090 -1.120) 6.744 23.999 ( 1.416 6.468 0.624) 6.650 24.082 ( -0.026 6.941 1.191) 7.043 24.142 ( -1.763 3.893 -0.916) 4.371 24.186 ( -0.577 2.821 -0.167) 2.884 24.302 ( 1.932 3.545 2.588) 4.796 24.348 ( -0.369 6.172 2.125) 6.538 24.419 ( 5.848 0.156 0.889) 5.917 24.538 ( -4.197 4.758 -1.447) 6.508 24.719 ( 0.919 2.965 0.553) 3.153 24.755 ( -1.002 5.585 -0.236) 5.679 24.909 ( -0.020 -4.434 -2.906) 5.302 24.938 ( -1.568 -3.425 -1.984) 4.257 25.318 ( 1.086 3.110 2.580) 4.184 25.354 ( -0.600 2.306 3.540) 4.267 25.611 ( 6.499 0.011 -4.245) 7.763 25.797 ( -10.808 -1.677 -7.161) 13.073 26.174 ( 4.739 -7.511 2.047) 9.114 26.268 ( -3.547 -9.036 2.030) 9.917 26.436 ( 7.738 -11.963 -4.768) 15.024 26.563 ( -4.360 -14.533 -5.445) 16.121 ======================= Grid point 45 (21/36) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.000 4.482 1.691) 4.791 2.303 ( 0.000 -0.177 0.484) 0.515 2.381 ( 0.000 -11.486 2.952) 11.859 2.439 ( 0.000 -1.792 -7.015) 7.240 2.603 ( 0.000 -2.001 4.993) 5.379 2.672 ( 0.000 8.517 4.963) 9.857 2.832 ( 0.000 10.254 0.412) 10.262 2.902 ( 0.000 6.876 -3.487) 7.709 2.950 ( 0.000 1.305 1.001) 1.645 2.976 ( 0.000 3.389 1.261) 3.616 3.010 ( 0.000 1.893 1.434) 2.374 3.247 ( 0.000 6.299 1.137) 6.401 3.342 ( 0.000 -5.242 4.988) 7.236 3.411 ( 0.000 4.128 4.076) 5.801 3.492 ( 0.000 7.852 4.285) 8.945 3.528 ( 0.000 0.006 -2.511) 2.511 3.633 ( 0.000 -0.390 -5.946) 5.959 3.646 ( 0.000 6.391 4.626) 7.889 3.764 ( 0.000 -3.253 4.689) 5.707 3.799 ( 0.000 0.729 7.870) 7.904 3.852 ( 0.000 3.198 2.986) 4.376 3.908 ( 0.000 2.379 2.749) 3.635 4.043 ( 0.000 -9.130 -1.681) 9.283 4.082 ( 0.000 -3.159 -2.724) 4.171 4.178 ( 0.000 0.353 0.171) 0.392 4.206 ( 0.000 -2.623 -1.738) 3.146 4.230 ( 0.000 -4.129 2.710) 4.939 4.298 ( 0.000 2.561 1.679) 3.063 4.345 ( 0.000 -1.077 4.616) 4.740 4.405 ( 0.000 0.204 0.805) 0.831 4.475 ( 0.000 3.926 -4.752) 6.164 4.514 ( 0.000 -4.883 -0.217) 4.888 4.556 ( 0.000 0.840 8.843) 8.883 4.658 ( 0.000 1.106 1.001) 1.491 4.689 ( 0.000 -4.662 2.002) 5.073 4.787 ( 0.000 2.848 -6.393) 6.999 4.899 ( 0.000 -3.196 -6.018) 6.814 4.924 ( 0.000 3.277 0.299) 3.291 4.988 ( 0.000 2.391 -3.874) 4.552 5.060 ( 0.000 3.969 -3.386) 5.217 5.108 ( 0.000 2.331 -4.736) 5.278 5.189 ( 0.000 -4.366 4.860) 6.533 5.215 ( 0.000 -2.002 -2.183) 2.962 5.253 ( 0.000 4.567 1.491) 4.804 5.327 ( 0.000 -7.428 1.601) 7.598 5.371 ( 0.000 -2.249 -2.984) 3.737 5.460 ( 0.000 4.182 -2.043) 4.654 5.500 ( 0.000 3.525 2.706) 4.444 5.546 ( 0.000 0.474 -0.934) 1.047 5.650 ( 0.000 -1.149 -0.107) 1.154 5.670 ( 0.000 2.819 5.826) 6.473 5.734 ( 0.000 0.092 1.559) 1.562 5.784 ( 0.000 -6.560 5.456) 8.532 5.882 ( 0.000 -6.005 -0.176) 6.008 5.987 ( 0.000 -0.726 3.701) 3.772 6.031 ( 0.000 -6.316 -4.288) 7.634 6.115 ( 0.000 1.714 -5.371) 5.638 6.172 ( 0.000 -5.446 -5.968) 8.079 6.224 ( 0.000 3.917 0.251) 3.925 6.267 ( 0.000 -3.675 -3.547) 5.108 6.335 ( 0.000 0.338 -3.870) 3.884 6.353 ( 0.000 -2.943 -2.907) 4.137 6.442 ( 0.000 0.695 3.904) 3.966 6.478 ( 0.000 -4.138 2.697) 4.939 6.500 ( 0.000 -1.834 2.161) 2.834 6.624 ( 0.000 -10.932 -4.839) 11.955 6.660 ( 0.000 -5.187 0.323) 5.197 6.674 ( 0.000 -1.043 1.558) 1.875 6.733 ( 0.000 -3.821 -5.235) 6.481 6.864 ( 0.000 0.657 6.261) 6.295 6.901 ( 0.000 -0.035 1.172) 1.173 7.015 ( 0.000 0.278 -1.017) 1.054 7.075 ( 0.000 -2.850 -2.316) 3.672 7.129 ( 0.000 -0.455 0.577) 0.735 7.306 ( 0.000 -3.602 3.560) 5.065 7.316 ( 0.000 -1.940 1.904) 2.718 7.344 ( 0.000 2.951 -1.113) 3.154 7.413 ( 0.000 -1.595 -1.117) 1.948 7.484 ( 0.000 -5.683 -4.896) 7.501 7.525 ( 0.000 1.191 -2.354) 2.638 7.649 ( 0.000 1.206 -2.387) 2.674 7.701 ( 0.000 -0.025 1.438) 1.439 7.723 ( 0.000 0.617 2.600) 2.672 7.774 ( 0.000 -1.080 -1.211) 1.623 7.848 ( 0.000 -0.304 -8.385) 8.390 7.857 ( 0.000 3.004 -0.399) 3.031 8.010 ( 0.000 -1.623 1.017) 1.915 8.036 ( 0.000 0.289 2.657) 2.673 8.201 ( 0.000 4.843 2.226) 5.330 8.217 ( 0.000 3.447 0.368) 3.466 8.275 ( 0.000 -1.415 6.265) 6.422 8.354 ( 0.000 -0.601 -2.109) 2.193 8.517 ( 0.000 0.855 2.399) 2.547 8.625 ( 0.000 0.445 -4.494) 4.516 8.684 ( 0.000 6.620 -1.127) 6.716 8.709 ( 0.000 -1.107 -2.097) 2.371 8.894 ( 0.000 7.283 4.259) 8.437 8.934 ( 0.000 -1.990 -3.257) 3.816 8.942 ( 0.000 -0.220 -0.399) 0.456 8.949 ( 0.000 -0.701 8.831) 8.859 9.061 ( 0.000 2.868 1.639) 3.303 9.102 ( 0.000 6.139 1.724) 6.377 9.297 ( 0.000 0.842 1.116) 1.398 9.323 ( 0.000 -0.330 0.634) 0.715 9.425 ( 0.000 1.607 -1.902) 2.490 9.458 ( 0.000 -2.870 -6.753) 7.338 9.651 ( 0.000 -1.148 9.735) 9.803 9.682 ( 0.000 -1.250 0.215) 1.268 9.778 ( 0.000 -5.252 0.395) 5.267 9.827 ( 0.000 -9.240 -3.890) 10.025 9.865 ( 0.000 -1.428 8.543) 8.661 10.151 ( 0.000 -6.164 1.062) 6.255 10.208 ( 0.000 -6.816 2.470) 7.250 10.225 ( 0.000 -1.656 -1.542) 2.263 10.369 ( 0.000 -3.612 -6.391) 7.341 10.437 ( 0.000 -3.377 8.665) 9.300 10.728 ( 0.000 -13.073 -3.329) 13.490 10.874 ( 0.000 1.043 11.289) 11.338 10.992 ( 0.000 0.335 4.135) 4.149 11.050 ( 0.000 -10.044 -5.894) 11.646 11.229 ( 0.000 6.880 -4.838) 8.411 11.286 ( 0.000 -3.851 0.445) 3.876 11.458 ( 0.000 -3.011 -4.830) 5.692 11.527 ( 0.000 -1.277 -3.577) 3.798 11.637 ( 0.000 0.775 -3.230) 3.322 11.835 ( 0.000 2.341 -0.925) 2.517 11.868 ( 0.000 -4.291 -5.533) 7.001 12.013 ( 0.000 -2.062 -8.390) 8.640 12.117 ( 0.000 -7.383 -10.993) 13.242 12.238 ( 0.000 -2.780 -11.083) 11.427 12.431 ( 0.000 -3.215 -11.533) 11.973 12.503 ( 0.000 2.213 -5.117) 5.576 12.723 ( 0.000 -1.509 6.309) 6.487 12.779 ( 0.000 -1.766 5.420) 5.701 12.813 ( 0.000 -2.171 7.375) 7.688 12.816 ( 0.000 -3.141 4.016) 5.098 13.112 ( 0.000 -1.506 3.878) 4.160 13.242 ( 0.000 -0.342 6.047) 6.057 13.272 ( 0.000 -4.528 5.670) 7.257 13.498 ( 0.000 -0.644 -0.154) 0.662 13.676 ( 0.000 1.629 -0.472) 1.696 13.722 ( 0.000 1.137 -0.973) 1.497 13.834 ( 0.000 -3.217 1.314) 3.475 13.840 ( 0.000 1.549 3.590) 3.910 13.954 ( 0.000 -0.725 3.010) 3.096 14.070 ( 0.000 -4.807 4.512) 6.592 14.130 ( 0.000 0.863 -1.385) 1.632 14.265 ( 0.000 0.797 -3.910) 3.990 15.103 ( 0.000 -1.417 6.214) 6.373 15.310 ( 0.000 -0.568 -1.778) 1.866 15.361 ( 0.000 -0.486 -1.609) 1.681 15.505 ( 0.000 1.839 -1.527) 2.390 16.147 ( 0.000 -0.368 0.669) 0.764 16.207 ( 0.000 0.670 -0.648) 0.932 16.326 ( 0.000 -0.060 -7.456) 7.456 16.355 ( 0.000 0.634 -4.795) 4.836 16.770 ( 0.000 0.061 10.041) 10.041 16.870 ( 0.000 -2.403 1.623) 2.900 16.972 ( 0.000 -0.427 -0.719) 0.836 17.152 ( 0.000 -1.508 -2.714) 3.105 17.533 ( 0.000 0.290 7.399) 7.405 17.571 ( 0.000 -0.663 6.560) 6.594 18.066 ( 0.000 3.365 -2.625) 4.267 18.249 ( 0.000 2.790 4.272) 5.103 18.361 ( 0.000 1.715 1.944) 2.593 18.376 ( 0.000 2.698 -11.622) 11.931 18.623 ( 0.000 1.587 -8.811) 8.952 18.663 ( 0.000 -0.143 -8.005) 8.006 19.623 ( 0.000 3.674 6.108) 7.128 19.712 ( 0.000 6.770 0.995) 6.843 19.837 ( 0.000 3.420 1.307) 3.661 19.929 ( 0.000 7.340 -0.508) 7.358 20.464 ( 0.000 -1.949 3.043) 3.613 20.546 ( 0.000 1.008 -0.093) 1.012 20.652 ( 0.000 2.841 1.341) 3.141 20.707 ( 0.000 -2.425 -0.018) 2.425 21.611 ( 0.000 0.889 1.916) 2.112 21.676 ( 0.000 1.725 0.612) 1.830 21.738 ( 0.000 -1.428 0.049) 1.428 21.740 ( 0.000 -1.337 -0.202) 1.352 22.265 ( 0.000 0.109 6.935) 6.936 22.284 ( 0.000 -0.868 8.295) 8.340 22.354 ( 0.000 0.744 3.093) 3.181 22.494 ( 0.000 1.165 -1.913) 2.240 22.557 ( 0.000 -1.816 2.713) 3.265 22.708 ( 0.000 -0.045 -2.390) 2.391 22.973 ( 0.000 -0.630 -9.965) 9.985 23.012 ( 0.000 -1.986 -9.466) 9.672 23.362 ( 0.000 0.475 3.032) 3.069 23.411 ( 0.000 1.632 0.407) 1.682 23.495 ( 0.000 -0.089 3.413) 3.414 23.611 ( 0.000 1.072 -0.533) 1.197 23.765 ( 0.000 3.370 2.731) 4.338 23.892 ( 0.000 3.633 0.419) 3.657 23.951 ( 0.000 2.631 0.133) 2.634 24.005 ( 0.000 0.310 0.253) 0.401 24.068 ( 0.000 0.555 0.707) 0.899 24.132 ( 0.000 1.443 -2.887) 3.227 24.152 ( 0.000 -4.331 0.870) 4.418 24.213 ( 0.000 -1.964 -1.205) 2.304 24.328 ( 0.000 4.147 1.643) 4.461 24.426 ( 0.000 7.746 4.344) 8.881 24.521 ( 0.000 7.287 3.415) 8.047 24.719 ( 0.000 5.135 -1.962) 5.497 24.754 ( 0.000 2.906 -0.511) 2.951 24.851 ( 0.000 -1.754 -1.490) 2.302 24.863 ( 0.000 2.391 -1.724) 2.948 25.003 ( 0.000 6.398 -3.020) 7.075 25.369 ( 0.000 2.516 1.945) 3.180 25.400 ( 0.000 2.851 3.255) 4.328 25.542 ( 0.000 -0.946 -1.480) 1.756 25.854 ( 0.000 -4.026 -6.434) 7.590 26.011 ( 0.000 -4.465 0.782) 4.533 26.132 ( 0.000 -5.669 -0.194) 5.673 26.168 ( 0.000 -7.489 -0.570) 7.510 26.356 ( 0.000 -9.632 -4.024) 10.439 ======================= Grid point 46 (22/36) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -1.679 1.403 -2.311) 3.183 2.236 ( -6.812 -1.176 -3.084) 7.569 2.367 ( 0.810 -5.110 -0.980) 5.265 2.431 ( -1.531 -6.882 0.222) 7.053 2.597 ( -1.322 3.407 5.926) 6.962 2.657 ( 0.378 -0.871 6.785) 6.851 2.849 ( 2.076 10.498 1.219) 10.770 2.953 ( 3.099 2.026 0.857) 3.801 2.981 ( 8.283 10.941 5.033) 14.617 3.061 ( 4.087 2.052 -0.705) 4.627 3.118 ( 0.782 -0.778 2.914) 3.116 3.231 ( -1.372 5.647 0.742) 5.858 3.320 ( -2.665 2.987 0.269) 4.012 3.409 ( -3.757 2.942 2.196) 5.253 3.482 ( -1.110 2.489 1.309) 3.024 3.516 ( 2.561 0.920 -0.444) 2.757 3.583 ( -0.662 3.482 1.818) 3.983 3.661 ( 1.524 2.880 1.934) 3.789 3.752 ( 0.749 4.738 4.222) 6.390 3.779 ( 1.637 5.826 1.495) 6.234 3.882 ( 2.267 -4.203 3.966) 6.208 3.943 ( -2.953 -3.924 -0.432) 4.930 3.961 ( -6.456 -2.021 -1.827) 7.007 4.049 ( -4.720 -1.224 -0.519) 4.904 4.077 ( -2.779 -2.958 -0.447) 4.083 4.185 ( 0.164 -3.813 2.089) 4.350 4.265 ( -0.834 -0.615 4.557) 4.673 4.295 ( -0.290 -3.570 5.100) 6.232 4.333 ( 1.309 -3.704 0.185) 3.933 4.482 ( 1.216 -1.323 1.249) 2.188 4.498 ( 9.010 -1.194 3.018) 9.577 4.579 ( 3.230 1.864 -2.388) 4.428 4.651 ( 2.897 1.202 -3.619) 4.789 4.685 ( 5.988 -0.682 -3.789) 7.118 4.724 ( -2.462 0.795 -1.632) 3.059 4.825 ( 5.005 1.184 3.111) 6.011 4.854 ( -3.599 -0.067 -3.937) 5.335 4.914 ( -2.117 2.073 -0.268) 2.975 4.996 ( -3.975 7.341 -2.903) 8.839 5.026 ( 0.933 -0.274 -4.305) 4.413 5.100 ( -1.638 -2.029 2.438) 3.570 5.155 ( -5.297 -0.284 0.632) 5.342 5.206 ( 4.128 -1.173 0.824) 4.370 5.258 ( 2.698 -1.151 -2.160) 3.643 5.315 ( -0.359 -1.864 0.645) 2.005 5.352 ( -3.955 -0.864 -3.120) 5.111 5.400 ( 0.844 1.022 -0.270) 1.353 5.467 ( -2.974 4.476 3.310) 6.312 5.531 ( -5.195 -0.166 -0.148) 5.199 5.590 ( -4.636 2.407 0.817) 5.287 5.724 ( 1.828 -2.047 -1.072) 2.946 5.744 ( 2.980 -5.293 -0.673) 6.111 5.812 ( 4.083 -3.205 1.573) 5.424 5.875 ( 2.495 -2.844 -0.682) 3.844 5.987 ( -2.045 0.970 0.236) 2.275 6.046 ( -3.316 0.513 1.155) 3.549 6.121 ( -0.633 -5.863 0.144) 5.899 6.168 ( 1.371 -2.221 -4.435) 5.146 6.208 ( -0.035 -4.597 -4.689) 6.567 6.260 ( -1.299 -3.031 -0.154) 3.301 6.296 ( 0.157 -1.272 0.792) 1.507 6.359 ( 0.889 -0.398 -0.134) 0.984 6.429 ( -1.596 -2.507 0.441) 3.004 6.457 ( -1.793 0.432 2.178) 2.854 6.540 ( 3.952 0.635 4.364) 5.922 6.622 ( 0.341 -9.193 -2.461) 9.522 6.644 ( -2.601 -1.219 1.504) 3.242 6.722 ( 1.859 -3.633 -1.006) 4.204 6.761 ( 1.694 -4.784 -2.037) 5.468 6.822 ( -1.102 -4.670 1.507) 5.029 6.939 ( 0.607 -0.292 -1.738) 1.864 7.021 ( -0.830 -3.905 -4.168) 5.771 7.048 ( 1.534 4.579 2.850) 5.607 7.163 ( 0.140 0.579 -0.057) 0.599 7.254 ( -1.196 -0.104 1.184) 1.686 7.325 ( 1.178 0.264 2.996) 3.230 7.375 ( 0.849 0.040 1.968) 2.144 7.405 ( -0.927 -3.696 -0.670) 3.869 7.480 ( 0.056 0.482 -3.519) 3.552 7.540 ( -0.250 -5.538 -1.625) 5.777 7.614 ( -0.459 0.279 0.055) 0.540 7.671 ( -2.518 0.264 0.598) 2.602 7.702 ( -0.993 0.034 -0.470) 1.099 7.781 ( -1.211 -2.503 0.938) 2.935 7.873 ( 4.696 0.509 -2.163) 5.196 7.970 ( 4.839 2.383 -4.597) 7.087 7.980 ( -1.100 -1.934 -4.223) 4.773 8.058 ( 1.676 0.949 -3.926) 4.373 8.205 ( 0.507 0.764 1.240) 1.542 8.220 ( -0.707 -0.096 1.859) 1.991 8.320 ( -0.480 2.569 1.999) 3.291 8.353 ( 1.491 1.874 -0.024) 2.394 8.521 ( 0.630 1.888 -1.598) 2.553 8.580 ( -0.741 2.003 4.352) 4.847 8.614 ( -0.629 0.731 -3.259) 3.399 8.732 ( -5.055 1.950 1.551) 5.635 8.810 ( -2.613 2.474 -1.452) 3.880 8.910 ( -1.124 0.505 -1.835) 2.210 9.000 ( 4.494 1.648 1.936) 5.163 9.025 ( 2.777 1.672 6.030) 6.846 9.083 ( 2.966 2.520 3.280) 5.089 9.145 ( 1.247 4.085 0.651) 4.321 9.211 ( -4.797 0.246 2.325) 5.336 9.284 ( -4.267 -0.959 1.827) 4.740 9.440 ( 2.979 -0.530 -2.296) 3.798 9.483 ( 0.674 -0.713 0.615) 1.158 9.606 ( -0.009 -0.353 2.951) 2.972 9.680 ( -3.831 -1.529 3.080) 5.148 9.769 ( -2.481 -5.024 -2.297) 6.056 9.853 ( 1.852 -1.743 4.300) 4.996 9.904 ( 7.110 -4.938 2.463) 9.000 10.060 ( -7.195 -7.260 1.280) 10.301 10.229 ( 0.998 -9.114 4.160) 10.068 10.258 ( -0.032 -4.066 4.653) 6.180 10.357 ( -0.775 -1.664 -7.037) 7.273 10.392 ( -1.244 -3.022 1.345) 3.534 10.736 ( 3.681 -8.031 -2.711) 9.241 10.867 ( -5.713 -4.103 -2.564) 7.486 11.050 ( 7.206 -0.450 3.248) 7.917 11.124 ( 0.891 0.614 0.258) 1.112 11.200 ( 1.632 0.076 -0.001) 1.633 11.332 ( 1.943 -3.528 -1.787) 4.406 11.468 ( 4.164 0.127 -6.198) 7.468 11.563 ( -3.259 -0.732 -4.075) 5.269 11.634 ( -0.978 -1.601 -1.309) 2.288 11.736 ( 0.108 -3.991 -3.568) 5.355 11.846 ( -3.989 -4.339 1.575) 6.101 11.935 ( -7.686 -2.002 0.417) 7.954 12.106 ( 2.462 -2.699 -13.411) 13.900 12.261 ( 0.571 -7.023 -11.916) 13.843 12.438 ( -1.027 -0.254 -13.477) 13.518 12.468 ( -1.804 -1.625 -10.691) 10.964 12.732 ( 2.941 0.140 6.799) 7.409 12.808 ( 1.381 0.725 6.815) 6.991 12.868 ( 4.048 -2.229 5.172) 6.936 12.922 ( 5.175 -4.096 2.802) 7.170 13.026 ( -3.532 -0.305 8.010) 8.759 13.160 ( -7.222 -3.345 7.905) 11.217 13.359 ( 7.400 -1.842 0.685) 7.656 13.513 ( -5.786 -2.024 -4.062) 7.353 13.622 ( 4.031 1.456 4.472) 6.194 13.738 ( -3.860 -0.840 2.488) 4.668 13.821 ( 1.471 0.295 0.117) 1.505 13.845 ( -0.492 0.118 1.717) 1.790 13.963 ( 0.633 -0.235 3.649) 3.711 14.041 ( -1.849 -3.059 5.206) 6.315 14.173 ( 3.146 0.694 -3.183) 4.529 14.252 ( -1.453 -0.521 -3.232) 3.582 15.143 ( 3.817 -1.148 4.332) 5.886 15.237 ( -4.898 -0.855 0.690) 5.019 15.418 ( 3.433 0.196 -2.225) 4.096 15.479 ( -2.396 1.255 -1.864) 3.285 16.169 ( 1.731 -0.190 0.093) 1.744 16.202 ( -0.707 0.052 -0.350) 0.790 16.323 ( 0.023 0.727 -7.105) 7.142 16.351 ( -0.416 0.102 -6.049) 6.064 16.761 ( -0.309 -0.391 9.473) 9.486 16.798 ( -3.453 -1.697 6.407) 7.473 17.042 ( 3.864 -0.604 -1.998) 4.392 17.111 ( -3.105 -1.006 -2.108) 3.885 17.586 ( 3.834 -0.071 5.952) 7.080 17.612 ( 2.008 -1.257 5.048) 5.576 18.055 ( 0.208 3.590 -1.550) 3.915 18.132 ( -7.011 2.813 -0.720) 7.589 18.390 ( 2.851 2.904 -0.168) 4.072 18.431 ( 0.979 2.655 -3.206) 4.276 18.615 ( -0.403 1.201 -9.584) 9.668 18.651 ( -0.727 -0.797 -8.391) 8.460 19.676 ( 4.617 4.781 4.189) 7.856 19.751 ( 3.199 6.518 0.801) 7.305 19.804 ( -3.223 3.172 2.105) 4.988 19.856 ( -5.455 6.386 1.334) 8.504 20.520 ( 4.539 -0.408 1.918) 4.945 20.580 ( 2.406 0.812 0.316) 2.559 20.617 ( -2.475 1.369 1.023) 3.008 20.668 ( -3.608 -1.562 0.021) 3.931 21.629 ( 1.688 0.982 1.759) 2.628 21.665 ( -1.298 1.417 1.291) 2.315 21.726 ( -0.405 -0.953 -0.612) 1.203 21.740 ( -0.211 -1.262 -0.087) 1.282 22.272 ( 0.301 -0.107 7.763) 7.769 22.283 ( -0.019 -0.713 8.238) 8.269 22.392 ( 3.808 0.492 2.370) 4.512 22.496 ( -4.493 -0.776 2.645) 5.271 22.559 ( 4.769 0.309 -1.979) 5.173 22.665 ( -4.116 -0.120 -2.014) 4.584 22.977 ( 0.303 -0.875 -9.851) 9.894 22.999 ( -0.848 -1.729 -9.589) 9.780 23.390 ( 2.726 0.663 3.027) 4.127 23.460 ( -1.597 0.414 2.744) 3.202 23.468 ( 3.123 0.983 0.609) 3.330 23.563 ( -4.064 1.081 -0.220) 4.211 23.802 ( 3.333 3.022 2.653) 5.223 23.875 ( -2.873 3.253 2.312) 4.917 23.949 ( 1.243 2.479 -1.323) 3.072 24.003 ( -2.606 2.207 -0.968) 3.549 24.045 ( 1.279 -0.330 0.834) 1.562 24.115 ( -1.891 -2.401 1.243) 3.299 24.157 ( 0.630 -0.181 -2.133) 2.231 24.200 ( -0.679 -1.425 -0.912) 1.823 24.404 ( 4.912 5.391 1.987) 7.559 24.472 ( 1.319 6.644 3.467) 7.609 24.507 ( 1.842 5.751 2.674) 6.605 24.634 ( -6.767 3.818 0.077) 7.770 24.797 ( 2.772 2.614 -2.146) 4.373 24.835 ( -1.057 -0.295 -2.332) 2.577 24.888 ( 1.990 3.343 -1.402) 4.135 24.955 ( -3.890 5.761 -1.945) 7.219 25.374 ( 0.642 2.376 2.362) 3.411 25.401 ( -0.523 2.022 3.202) 3.823 25.603 ( 6.119 -0.602 -3.013) 6.847 25.754 ( -7.936 -2.140 -5.135) 9.692 26.043 ( 3.327 -5.388 1.527) 6.513 26.114 ( -2.944 -6.140 1.414) 6.955 26.237 ( 5.503 -7.850 -3.460) 10.192 26.327 ( -3.048 -9.100 -3.994) 10.395 ======================= Grid point 48 (23/36) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 0.000 5.892) 5.892 2.252 ( 0.000 0.000 -0.161) 0.161 2.302 ( 0.000 0.000 5.080) 5.080 2.409 ( 0.000 0.000 -10.703) 10.703 2.575 ( 0.000 0.000 3.497) 3.497 2.737 ( 0.000 0.000 3.920) 3.920 2.880 ( 0.000 0.000 -4.109) 4.109 2.911 ( 0.000 0.000 -4.233) 4.233 2.984 ( 0.000 0.000 -5.898) 5.898 3.061 ( 0.000 0.000 3.170) 3.170 3.132 ( 0.000 0.000 7.724) 7.724 3.283 ( 0.000 0.000 5.945) 5.945 3.376 ( 0.000 -0.000 6.169) 6.169 3.391 ( 0.000 0.000 -2.860) 2.860 3.509 ( 0.000 0.000 -1.004) 1.004 3.591 ( 0.000 0.000 -5.043) 5.043 3.692 ( 0.000 0.000 -6.585) 6.585 3.736 ( 0.000 0.000 9.029) 9.029 3.741 ( 0.000 0.000 6.836) 6.836 3.802 ( 0.000 0.000 3.334) 3.334 3.808 ( 0.000 0.000 10.476) 10.476 3.912 ( 0.000 0.000 2.708) 2.708 3.980 ( 0.000 0.000 4.968) 4.968 4.054 ( 0.000 0.000 -6.972) 6.972 4.088 ( 0.000 -0.000 7.709) 7.709 4.155 ( 0.000 0.000 1.764) 1.764 4.252 ( 0.000 -0.000 -2.647) 2.647 4.273 ( 0.000 0.000 2.796) 2.796 4.392 ( 0.000 0.000 -2.184) 2.184 4.393 ( 0.000 0.000 8.033) 8.033 4.436 ( 0.000 0.000 -1.724) 1.724 4.539 ( 0.000 0.000 -9.806) 9.806 4.569 ( 0.000 0.000 5.961) 5.961 4.611 ( 0.000 0.000 6.452) 6.452 4.672 ( 0.000 0.000 -4.106) 4.106 4.827 ( 0.000 0.000 -2.175) 2.175 4.878 ( 0.000 0.000 -0.457) 0.457 4.994 ( 0.000 0.000 2.159) 2.159 4.995 ( 0.000 0.000 3.956) 3.956 5.068 ( 0.000 0.000 -6.864) 6.864 5.101 ( 0.000 0.000 1.432) 1.432 5.175 ( 0.000 0.000 -8.385) 8.385 5.233 ( 0.000 -0.000 1.972) 1.972 5.250 ( 0.000 0.000 -7.087) 7.087 5.307 ( 0.000 0.000 -0.338) 0.338 5.312 ( 0.000 -0.000 -2.093) 2.093 5.501 ( 0.000 0.000 1.268) 1.268 5.574 ( 0.000 0.000 -0.722) 0.722 5.586 ( 0.000 -0.000 3.404) 3.404 5.645 ( 0.000 0.000 7.215) 7.215 5.652 ( 0.000 0.000 -2.309) 2.309 5.687 ( 0.000 0.000 2.576) 2.576 5.792 ( 0.000 -0.000 1.002) 1.002 5.830 ( 0.000 0.000 1.725) 1.725 5.850 ( 0.000 0.000 -3.034) 3.034 5.916 ( 0.000 0.000 5.141) 5.141 6.113 ( 0.000 0.000 -7.117) 7.117 6.174 ( 0.000 0.000 -7.366) 7.366 6.263 ( 0.000 -0.000 -6.884) 6.884 6.311 ( 0.000 0.000 2.597) 2.597 6.315 ( 0.000 0.000 -2.308) 2.308 6.350 ( 0.000 0.000 -4.677) 4.677 6.419 ( 0.000 0.000 -6.285) 6.285 6.446 ( 0.000 0.000 -3.784) 3.784 6.499 ( 0.000 0.000 4.067) 4.067 6.525 ( 0.000 0.000 1.822) 1.822 6.576 ( 0.000 0.000 -1.410) 1.410 6.668 ( 0.000 0.000 -1.743) 1.743 6.695 ( 0.000 0.000 7.447) 7.447 6.892 ( 0.000 0.000 10.899) 10.899 6.913 ( 0.000 0.000 2.806) 2.806 6.975 ( 0.000 0.000 -5.350) 5.350 7.063 ( 0.000 0.000 0.075) 0.075 7.093 ( 0.000 0.000 2.569) 2.569 7.245 ( 0.000 0.000 1.027) 1.027 7.313 ( 0.000 0.000 3.857) 3.857 7.376 ( 0.000 0.000 -3.299) 3.299 7.411 ( 0.000 0.000 0.536) 0.536 7.475 ( 0.000 0.000 -1.946) 1.946 7.484 ( 0.000 -0.000 -3.368) 3.368 7.650 ( 0.000 0.000 -1.222) 1.222 7.728 ( 0.000 -0.000 -1.925) 1.925 7.730 ( 0.000 0.000 4.458) 4.458 7.775 ( 0.000 0.000 -8.600) 8.600 7.858 ( 0.000 0.000 -9.625) 9.625 7.911 ( 0.000 0.000 3.439) 3.439 7.976 ( 0.000 0.000 2.667) 2.667 8.043 ( 0.000 0.000 1.279) 1.279 8.253 ( 0.000 0.000 3.849) 3.849 8.273 ( 0.000 0.000 3.447) 3.447 8.302 ( 0.000 0.000 -1.002) 1.002 8.335 ( 0.000 -0.000 3.867) 3.867 8.526 ( 0.000 0.000 0.766) 0.766 8.651 ( 0.000 0.000 -5.463) 5.463 8.669 ( 0.000 0.000 -4.727) 4.727 8.800 ( 0.000 0.000 3.894) 3.894 8.838 ( 0.000 0.000 -3.602) 3.602 8.929 ( 0.000 0.000 4.608) 4.608 8.947 ( 0.000 0.000 6.964) 6.964 8.963 ( 0.000 0.000 -6.049) 6.049 9.189 ( 0.000 0.000 7.384) 7.384 9.192 ( 0.000 0.000 -0.263) 0.263 9.301 ( 0.000 0.000 2.850) 2.850 9.375 ( 0.000 0.000 0.202) 0.202 9.399 ( 0.000 0.000 -5.908) 5.908 9.452 ( 0.000 0.000 -0.090) 0.090 9.499 ( 0.000 0.000 1.371) 1.371 9.678 ( 0.000 0.000 -2.641) 2.641 9.691 ( 0.000 0.000 1.947) 1.947 9.801 ( 0.000 0.000 14.140) 14.140 9.806 ( 0.000 -0.000 5.230) 5.230 10.031 ( 0.000 0.000 6.078) 6.078 10.147 ( 0.000 0.000 -1.569) 1.569 10.281 ( 0.000 0.000 -15.788) 15.788 10.317 ( 0.000 0.000 -10.412) 10.412 10.370 ( 0.000 0.000 15.062) 15.062 10.598 ( 0.000 0.000 -2.240) 2.240 10.900 ( 0.000 0.000 -5.340) 5.340 10.917 ( 0.000 0.000 11.316) 11.316 10.996 ( 0.000 0.000 5.401) 5.401 11.245 ( 0.000 0.000 2.171) 2.171 11.357 ( 0.000 -0.000 -2.811) 2.811 11.384 ( 0.000 0.000 -6.651) 6.651 11.505 ( 0.000 0.000 -6.225) 6.225 11.655 ( 0.000 0.000 -4.386) 4.386 11.815 ( 0.000 0.000 -7.498) 7.498 11.926 ( 0.000 0.000 -1.288) 1.288 11.975 ( 0.000 0.000 -9.123) 9.123 11.990 ( 0.000 0.000 -9.522) 9.522 12.209 ( 0.000 0.000 -8.254) 8.254 12.406 ( 0.000 0.000 -14.363) 14.363 12.524 ( 0.000 0.000 -6.823) 6.823 12.698 ( 0.000 0.000 7.454) 7.454 12.761 ( 0.000 0.000 8.217) 8.217 12.787 ( 0.000 0.000 2.999) 2.999 12.808 ( 0.000 0.000 7.260) 7.260 13.099 ( 0.000 0.000 2.203) 2.203 13.226 ( 0.000 0.000 6.021) 6.021 13.239 ( 0.000 0.000 5.123) 5.123 13.487 ( 0.000 0.000 -1.715) 1.715 13.693 ( 0.000 0.000 -0.384) 0.384 13.765 ( 0.000 -0.000 -0.361) 0.361 13.777 ( 0.000 0.000 3.564) 3.564 13.857 ( 0.000 0.000 3.989) 3.989 13.958 ( 0.000 0.000 3.924) 3.924 14.012 ( 0.000 0.000 4.829) 4.829 14.139 ( 0.000 0.000 -1.456) 1.456 14.275 ( 0.000 0.000 -5.013) 5.013 15.089 ( 0.000 0.000 7.716) 7.716 15.305 ( 0.000 0.000 -1.613) 1.613 15.355 ( 0.000 0.000 -1.827) 1.827 15.524 ( 0.000 0.000 -1.614) 1.614 16.143 ( 0.000 0.000 0.952) 0.952 16.214 ( 0.000 0.000 -0.577) 0.577 16.326 ( 0.000 0.000 -7.965) 7.965 16.362 ( 0.000 0.000 -5.330) 5.330 16.771 ( 0.000 0.000 10.155) 10.155 16.848 ( 0.000 0.000 2.245) 2.245 16.968 ( 0.000 0.000 -0.996) 0.996 17.137 ( 0.000 0.000 -2.451) 2.451 17.536 ( 0.000 0.000 6.600) 6.600 17.561 ( 0.000 0.000 7.627) 7.627 18.099 ( 0.000 0.000 -3.136) 3.136 18.279 ( 0.000 0.000 4.125) 4.125 18.378 ( 0.000 0.000 1.957) 1.957 18.398 ( 0.000 0.000 -13.453) 13.453 18.635 ( 0.000 0.000 -6.495) 6.495 18.673 ( 0.000 0.000 -8.701) 8.701 19.661 ( 0.000 0.000 6.886) 6.886 19.782 ( 0.000 0.000 0.975) 0.975 19.870 ( 0.000 0.000 1.089) 1.089 20.004 ( 0.000 0.000 -1.568) 1.568 20.441 ( 0.000 0.000 3.573) 3.573 20.555 ( 0.000 0.000 -0.166) 0.166 20.677 ( 0.000 0.000 0.542) 0.542 20.680 ( 0.000 0.000 0.653) 0.653 21.621 ( 0.000 0.000 1.773) 1.773 21.703 ( 0.000 0.000 -0.196) 0.196 21.716 ( 0.000 -0.000 0.630) 0.630 21.724 ( 0.000 0.000 0.363) 0.363 22.268 ( 0.000 0.000 7.038) 7.038 22.274 ( 0.000 0.000 7.952) 7.952 22.362 ( 0.000 0.000 2.870) 2.870 22.506 ( 0.000 0.000 -1.977) 1.977 22.539 ( 0.000 0.000 2.682) 2.682 22.709 ( 0.000 0.000 -2.630) 2.630 22.967 ( 0.000 0.000 -9.841) 9.841 22.991 ( 0.000 0.000 -9.873) 9.873 23.366 ( 0.000 0.000 3.116) 3.116 23.426 ( 0.000 0.000 0.148) 0.148 23.491 ( 0.000 0.000 3.798) 3.798 23.619 ( 0.000 0.000 -0.638) 0.638 23.802 ( 0.000 0.000 2.504) 2.504 23.943 ( 0.000 -0.000 -1.423) 1.423 23.965 ( 0.000 0.000 1.822) 1.822 23.999 ( 0.000 0.000 0.454) 0.454 24.083 ( 0.000 0.000 0.081) 0.081 24.086 ( 0.000 -0.000 1.495) 1.495 24.143 ( 0.000 0.000 -2.932) 2.932 24.188 ( 0.000 0.000 -1.351) 1.351 24.377 ( 0.000 0.000 1.766) 1.766 24.512 ( 0.000 0.000 4.320) 4.320 24.598 ( 0.000 0.000 3.950) 3.950 24.755 ( 0.000 0.000 -0.927) 0.927 24.797 ( 0.000 0.000 -0.631) 0.631 24.828 ( 0.000 0.000 -1.795) 1.795 24.904 ( 0.000 0.000 -2.191) 2.191 25.077 ( 0.000 0.000 -4.009) 4.009 25.396 ( 0.000 0.000 2.022) 2.022 25.437 ( 0.000 0.000 3.209) 3.209 25.528 ( 0.000 0.000 -1.332) 1.332 25.810 ( 0.000 0.000 -5.198) 5.198 25.965 ( 0.000 0.000 0.417) 0.417 26.081 ( 0.000 -0.000 -1.749) 1.749 26.081 ( 0.000 0.000 1.022) 1.022 26.257 ( 0.000 0.000 -3.475) 3.475 ======================= Grid point 50 (24/36) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -2.338 0.000 -1.579) 2.821 2.194 ( -4.127 0.000 -0.817) 4.207 2.312 ( -2.148 0.000 -3.062) 3.740 2.365 ( -2.567 0.000 -0.519) 2.619 2.628 ( 2.967 0.000 4.838) 5.675 2.646 ( -1.266 0.000 7.512) 7.618 2.919 ( 1.871 0.000 0.198) 1.882 2.957 ( -1.323 0.000 4.391) 4.586 3.073 ( 3.965 0.000 3.195) 5.092 3.082 ( 6.204 0.000 -2.377) 6.644 3.156 ( 6.689 0.000 -0.695) 6.725 3.329 ( -8.589 0.000 0.723) 8.620 3.355 ( 1.950 0.000 -0.218) 1.962 3.404 ( -4.353 0.000 -3.244) 5.429 3.536 ( 4.266 0.000 -2.711) 5.054 3.537 ( -3.419 -0.000 -0.144) 3.422 3.667 ( 4.402 0.000 1.494) 4.648 3.704 ( -1.046 0.000 8.300) 8.365 3.784 ( 5.501 0.000 11.424) 12.680 3.811 ( -5.316 0.000 1.744) 5.595 3.825 ( 1.946 0.000 0.311) 1.971 3.928 ( 0.114 0.000 -0.547) 0.558 3.935 ( 0.248 -0.000 0.811) 0.848 4.028 ( 3.376 0.000 3.329) 4.742 4.054 ( -6.870 0.000 5.416) 8.749 4.124 ( -5.452 -0.000 5.476) 7.727 4.202 ( -5.894 -0.052 2.357) 6.348 4.203 ( -4.450 0.052 -3.742) 5.814 4.384 ( 2.149 0.000 1.271) 2.497 4.447 ( 0.673 0.000 3.313) 3.380 4.471 ( 10.606 0.000 3.670) 11.223 4.628 ( 8.206 0.000 -4.175) 9.207 4.659 ( 0.491 0.000 -5.365) 5.388 4.681 ( 6.556 0.000 -5.732) 8.709 4.753 ( -6.331 0.000 -5.402) 8.323 4.814 ( 10.765 0.000 10.131) 14.782 4.844 ( -5.556 0.000 -2.627) 6.146 4.984 ( -2.185 -0.000 1.974) 2.945 4.996 ( 0.410 0.000 -0.160) 0.440 5.041 ( -6.648 0.000 8.453) 10.754 5.122 ( -2.179 0.000 -5.390) 5.814 5.133 ( 0.574 0.000 -6.274) 6.300 5.227 ( 2.615 0.000 -0.561) 2.674 5.234 ( 1.077 0.000 -4.406) 4.535 5.262 ( 1.589 0.000 -4.750) 5.009 5.310 ( 1.013 0.000 -0.416) 1.095 5.432 ( -7.837 0.000 0.229) 7.840 5.514 ( -9.057 0.000 5.064) 10.376 5.583 ( -1.094 0.000 -0.724) 1.311 5.609 ( -3.747 0.000 -1.557) 4.058 5.697 ( 2.591 -0.000 0.890) 2.739 5.703 ( 4.673 0.000 -0.672) 4.721 5.772 ( 5.357 0.000 0.337) 5.367 5.847 ( 0.545 0.000 0.403) 0.678 5.901 ( 2.593 0.000 -0.145) 2.597 5.979 ( 4.044 0.000 6.536) 7.687 6.084 ( -3.517 -0.000 -5.161) 6.246 6.097 ( -12.912 0.000 -7.707) 15.037 6.234 ( 4.731 0.000 -7.630) 8.978 6.282 ( 2.001 0.000 -3.566) 4.089 6.338 ( 0.194 0.000 0.982) 1.001 6.343 ( -0.404 0.000 0.684) 0.794 6.408 ( -1.669 0.000 2.206) 2.766 6.425 ( -3.985 0.000 4.387) 5.927 6.536 ( 4.871 0.000 0.647) 4.914 6.550 ( 0.609 0.000 1.167) 1.316 6.622 ( 1.033 0.000 -1.806) 2.080 6.679 ( 4.566 0.000 -4.429) 6.361 6.747 ( 1.051 0.000 5.210) 5.315 6.782 ( -5.913 0.000 6.309) 8.647 6.940 ( -1.752 0.000 -1.003) 2.019 6.952 ( -1.841 0.000 -5.167) 5.485 7.114 ( 6.047 0.000 2.892) 6.702 7.140 ( 3.453 0.000 1.060) 3.612 7.257 ( 1.148 0.000 2.431) 2.688 7.299 ( -1.924 0.000 2.641) 3.268 7.374 ( -0.606 -0.000 -1.073) 1.233 7.382 ( -2.080 0.000 1.571) 2.607 7.517 ( 3.140 0.000 -2.578) 4.063 7.526 ( 2.795 0.000 -3.009) 4.107 7.631 ( -1.261 0.000 -0.041) 1.261 7.651 ( -4.060 0.000 2.093) 4.568 7.708 ( -1.486 0.000 0.285) 1.513 7.726 ( -3.583 -0.000 -0.154) 3.586 7.909 ( 2.013 0.000 -4.187) 4.645 7.951 ( -1.780 0.000 -1.748) 2.494 8.012 ( 7.352 0.000 -6.829) 10.034 8.059 ( 0.147 0.000 -0.060) 0.159 8.203 ( -0.800 0.000 0.362) 0.878 8.224 ( -0.516 0.000 2.046) 2.110 8.365 ( 1.204 0.000 -0.841) 1.468 8.380 ( 0.108 0.000 4.928) 4.929 8.541 ( 2.766 0.000 2.348) 3.628 8.600 ( -3.322 0.000 -4.554) 5.637 8.636 ( -0.585 0.000 -2.272) 2.346 8.730 ( -7.802 0.000 3.143) 8.411 8.840 ( 4.204 0.000 -2.107) 4.702 8.918 ( -3.029 0.000 -8.881) 9.383 9.018 ( 4.454 0.000 0.470) 4.479 9.040 ( 4.768 0.000 5.191) 7.049 9.146 ( -1.927 0.000 -0.506) 1.992 9.211 ( -6.603 0.000 4.714) 8.113 9.244 ( 4.612 0.000 7.139) 8.500 9.337 ( -2.649 0.000 -1.173) 2.897 9.395 ( 0.105 0.000 1.710) 1.713 9.422 ( -1.980 0.000 -0.721) 2.108 9.555 ( 2.103 0.000 5.198) 5.607 9.647 ( -5.853 0.000 5.521) 8.046 9.740 ( 7.308 0.000 -0.611) 7.334 9.798 ( 2.258 -0.000 5.613) 6.051 9.851 ( 2.553 0.000 4.747) 5.390 9.957 ( -7.361 0.000 2.279) 7.706 10.142 ( 1.577 0.000 2.068) 2.601 10.236 ( -6.931 0.000 5.440) 8.811 10.341 ( 3.168 0.000 -10.517) 10.984 10.365 ( 0.078 0.000 -4.255) 4.256 10.642 ( 6.042 0.000 -4.399) 7.473 10.805 ( -7.714 0.000 -5.505) 9.477 11.064 ( 9.909 0.000 10.402) 14.366 11.124 ( 3.386 0.000 0.580) 3.436 11.198 ( 4.647 0.000 2.151) 5.121 11.284 ( -4.917 0.000 -7.450) 8.926 11.499 ( 7.201 0.000 -2.983) 7.794 11.544 ( -0.009 0.000 -5.910) 5.910 11.636 ( -5.377 0.000 -3.934) 6.662 11.700 ( -9.230 0.000 -5.245) 10.616 11.802 ( -0.274 0.000 4.759) 4.767 11.899 ( -6.061 0.000 1.360) 6.212 12.077 ( 5.965 0.000 -11.565) 13.013 12.184 ( -3.475 0.000 -12.959) 13.417 12.431 ( 0.305 0.000 -16.413) 16.416 12.456 ( -3.592 0.000 -9.812) 10.449 12.744 ( 4.283 0.000 7.257) 8.426 12.807 ( -0.895 0.000 5.296) 5.371 12.856 ( 6.202 0.000 4.512) 7.670 12.878 ( 6.879 0.000 5.242) 8.648 13.028 ( -3.684 0.000 6.612) 7.569 13.124 ( -8.669 0.000 7.081) 11.194 13.341 ( 7.926 0.000 0.200) 7.929 13.490 ( -4.364 0.000 -4.528) 6.289 13.640 ( 1.544 0.000 4.594) 4.847 13.727 ( -4.540 0.000 3.974) 6.034 13.823 ( 2.524 0.000 0.165) 2.530 13.852 ( -0.684 0.000 2.328) 2.427 13.971 ( 1.345 0.000 4.865) 5.047 14.000 ( -1.192 0.000 5.218) 5.352 14.183 ( 3.489 0.000 -2.819) 4.486 14.247 ( -2.578 0.000 -4.340) 5.048 15.132 ( 4.043 0.000 5.292) 6.660 15.229 ( -5.086 0.000 0.797) 5.148 15.420 ( 4.016 0.000 -2.065) 4.515 15.492 ( -2.933 0.000 -1.773) 3.428 16.167 ( 1.992 0.000 0.317) 2.017 16.203 ( -1.257 0.000 -0.470) 1.342 16.332 ( 0.716 0.000 -7.618) 7.651 16.352 ( -0.964 0.000 -6.448) 6.519 16.760 ( -0.570 0.000 9.825) 9.842 16.781 ( -3.193 0.000 6.575) 7.309 17.037 ( 3.905 0.000 -2.128) 4.447 17.101 ( -2.809 0.000 -2.091) 3.502 17.588 ( 3.098 0.000 5.527) 6.336 17.595 ( 2.173 -0.000 6.153) 6.525 18.090 ( 0.273 0.000 -2.054) 2.072 18.160 ( -6.813 0.000 -1.109) 6.903 18.420 ( 3.380 0.000 -0.050) 3.381 18.455 ( 1.282 0.000 -4.969) 5.132 18.632 ( -0.177 0.000 -7.526) 7.528 18.645 ( -1.815 0.000 -8.772) 8.958 19.722 ( 5.625 0.000 5.066) 7.570 19.821 ( 3.570 0.000 0.923) 3.687 19.832 ( -3.924 0.000 1.697) 4.275 19.921 ( -6.326 0.000 0.444) 6.341 20.511 ( 5.586 0.000 2.152) 5.986 20.590 ( 3.191 0.000 -0.113) 3.193 20.619 ( -4.679 0.000 1.096) 4.806 20.657 ( -2.815 0.000 0.131) 2.818 21.640 ( 1.855 0.000 1.584) 2.439 21.685 ( -2.284 0.000 1.076) 2.524 21.712 ( 0.756 0.000 -0.162) 0.773 21.726 ( -0.379 0.000 0.059) 0.384 22.273 ( 0.251 0.000 7.700) 7.704 22.274 ( 0.026 -0.000 7.948) 7.948 22.397 ( 3.625 0.000 2.420) 4.358 22.488 ( -4.521 0.000 2.528) 5.180 22.564 ( 4.988 0.000 -2.037) 5.388 22.664 ( -4.247 0.000 -2.321) 4.840 22.969 ( 0.264 0.000 -9.877) 9.880 22.980 ( -0.786 0.000 -9.922) 9.953 23.396 ( 2.819 0.000 3.255) 4.306 23.459 ( -2.929 0.000 3.587) 4.631 23.479 ( 4.502 0.000 -0.148) 4.504 23.572 ( -4.180 0.000 -0.519) 4.212 23.835 ( 3.176 0.000 2.533) 4.062 23.914 ( -4.118 0.000 2.361) 4.746 23.967 ( 2.267 0.000 -1.332) 2.630 24.017 ( -1.174 0.000 -0.943) 1.506 24.048 ( -0.139 0.000 0.943) 0.953 24.074 ( -1.190 0.000 1.364) 1.810 24.153 ( 1.014 0.000 -2.067) 2.302 24.177 ( -1.069 0.000 -1.480) 1.826 24.461 ( 6.368 0.000 1.560) 6.557 24.554 ( 4.237 -0.000 3.784) 5.681 24.563 ( -3.405 0.000 3.374) 4.793 24.672 ( -6.522 0.000 0.905) 6.585 24.818 ( 1.018 0.000 -2.144) 2.373 24.828 ( -0.114 0.000 -2.143) 2.146 24.942 ( 3.454 0.000 -2.018) 4.000 25.026 ( -4.310 0.000 -3.082) 5.298 25.401 ( 0.686 0.000 2.388) 2.484 25.422 ( -1.235 0.000 2.948) 3.196 25.596 ( 5.988 0.000 -2.457) 6.472 25.731 ( -6.684 0.000 -4.345) 7.972 25.986 ( 2.790 0.000 1.358) 3.102 26.050 ( -2.881 0.000 1.198) 3.121 26.155 ( 4.978 0.000 -3.032) 5.829 26.233 ( -2.555 0.000 -3.490) 4.325 ======================= Grid point 66 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.000 0.000 34.507) 34.507 1.513 ( 0.000 0.000 39.093) 39.093 1.937 ( 0.000 0.000 3.769) 3.769 2.000 ( 0.000 0.000 -22.205) 22.205 2.026 ( 0.000 0.000 -10.896) 10.896 2.191 ( 0.000 0.000 18.935) 18.935 2.232 ( 0.000 0.000 14.476) 14.476 2.277 ( 0.000 0.000 -30.658) 30.658 2.654 ( 0.000 0.000 28.318) 28.318 2.679 ( 0.000 0.000 10.393) 10.393 2.680 ( 0.000 0.000 5.541) 5.541 2.786 ( 0.000 0.000 -3.497) 3.497 2.896 ( 0.000 0.000 -0.960) 0.960 2.938 ( 0.000 0.000 -4.323) 4.323 3.013 ( 0.000 0.000 -8.901) 8.901 3.033 ( 0.000 0.000 -2.962) 2.962 3.132 ( 0.000 0.000 -1.550) 1.550 3.380 ( 0.000 0.000 -7.225) 7.225 3.423 ( 0.000 0.000 -13.235) 13.235 3.544 ( 0.000 0.000 -23.450) 23.450 3.934 ( 0.000 0.000 8.356) 8.356 3.939 ( 0.000 0.000 5.183) 5.183 4.034 ( 0.000 0.000 -3.662) 3.662 4.075 ( 0.000 0.000 -4.641) 4.641 4.105 ( 0.000 0.000 5.144) 5.144 4.221 ( 0.000 0.000 -6.050) 6.050 4.347 ( 0.000 0.000 12.111) 12.111 4.394 ( 0.000 0.000 -3.504) 3.504 4.404 ( 0.000 0.000 -3.698) 3.698 4.474 ( 0.000 0.000 4.724) 4.724 4.563 ( 0.000 0.000 -6.886) 6.886 4.578 ( 0.000 0.000 -4.798) 4.798 4.593 ( 0.000 0.000 -2.492) 2.492 4.605 ( 0.000 0.000 -0.711) 0.711 4.734 ( 0.000 0.000 6.817) 6.817 4.831 ( 0.000 0.000 6.489) 6.489 4.869 ( 0.000 0.000 -7.402) 7.402 5.008 ( 0.000 0.000 -6.738) 6.738 5.025 ( 0.000 0.000 6.275) 6.275 5.163 ( 0.000 0.000 7.169) 7.169 5.164 ( 0.000 0.000 -9.483) 9.483 5.182 ( 0.000 0.000 3.119) 3.119 5.311 ( 0.000 0.000 4.762) 4.762 5.408 ( 0.000 0.000 -4.127) 4.127 5.488 ( 0.000 0.000 5.250) 5.250 5.545 ( 0.000 0.000 -0.125) 0.125 5.633 ( 0.000 0.000 -4.354) 4.354 5.652 ( 0.000 0.000 -2.208) 2.208 5.827 ( 0.000 0.000 2.205) 2.205 5.877 ( 0.000 0.000 1.146) 1.146 5.948 ( 0.000 0.000 11.413) 11.413 5.964 ( 0.000 0.000 3.390) 3.390 6.032 ( 0.000 0.000 2.227) 2.227 6.047 ( 0.000 0.000 0.151) 0.151 6.063 ( 0.000 0.000 8.860) 8.860 6.121 ( 0.000 0.000 -2.997) 2.997 6.189 ( 0.000 0.000 5.183) 5.183 6.213 ( 0.000 0.000 -0.875) 0.875 6.299 ( 0.000 0.000 8.291) 8.291 6.377 ( 0.000 0.000 -11.967) 11.967 6.429 ( 0.000 0.000 7.679) 7.679 6.493 ( 0.000 0.000 -7.916) 7.916 6.635 ( 0.000 0.000 -1.035) 1.035 6.647 ( 0.000 0.000 0.099) 0.099 6.727 ( 0.000 0.000 3.257) 3.257 6.775 ( 0.000 0.000 4.013) 4.013 6.858 ( 0.000 0.000 -0.555) 0.555 6.895 ( 0.000 0.000 -10.137) 10.137 7.060 ( 0.000 0.000 -5.500) 5.500 7.065 ( 0.000 0.000 0.699) 0.699 7.088 ( 0.000 0.000 -0.832) 0.832 7.105 ( 0.000 0.000 -5.635) 5.635 7.341 ( 0.000 0.000 -4.137) 4.137 7.403 ( 0.000 0.000 -6.447) 6.447 7.437 ( 0.000 0.000 4.299) 4.299 7.497 ( 0.000 0.000 -1.667) 1.667 7.660 ( 0.000 0.000 3.579) 3.579 7.671 ( 0.000 0.000 1.620) 1.620 7.694 ( 0.000 0.000 -2.345) 2.345 7.699 ( 0.000 0.000 -1.142) 1.142 7.832 ( 0.000 0.000 -4.708) 4.708 7.834 ( 0.000 0.000 -5.192) 5.192 7.952 ( 0.000 0.000 0.580) 0.580 7.958 ( 0.000 0.000 -0.377) 0.377 8.033 ( 0.000 0.000 -1.205) 1.205 8.061 ( 0.000 0.000 -4.484) 4.484 8.166 ( 0.000 0.000 3.260) 3.260 8.243 ( 0.000 0.000 -5.385) 5.385 8.404 ( 0.000 0.000 3.278) 3.278 8.405 ( 0.000 0.000 2.911) 2.911 8.555 ( 0.000 0.000 0.594) 0.594 8.556 ( 0.000 0.000 0.306) 0.306 8.600 ( 0.000 0.000 0.349) 0.349 8.608 ( 0.000 0.000 -0.436) 0.436 8.659 ( 0.000 0.000 -0.440) 0.440 8.701 ( 0.000 0.000 -4.320) 4.320 8.897 ( 0.000 0.000 7.331) 7.331 8.956 ( 0.000 0.000 9.164) 9.164 9.017 ( 0.000 0.000 -2.741) 2.741 9.081 ( 0.000 0.000 -2.440) 2.440 9.205 ( 0.000 0.000 1.574) 1.574 9.212 ( 0.000 0.000 4.154) 4.154 9.228 ( 0.000 0.000 -3.212) 3.212 9.281 ( 0.000 0.000 -5.229) 5.229 9.495 ( 0.000 0.000 3.939) 3.939 9.535 ( 0.000 0.000 -0.540) 0.540 9.583 ( 0.000 0.000 3.739) 3.739 9.610 ( 0.000 0.000 0.241) 0.241 9.812 ( 0.000 0.000 6.042) 6.042 9.894 ( 0.000 0.000 1.894) 1.894 9.918 ( 0.000 0.000 -0.460) 0.460 9.928 ( 0.000 0.000 -5.429) 5.429 10.427 ( 0.000 0.000 9.019) 9.019 10.433 ( 0.000 0.000 5.193) 5.193 10.623 ( 0.000 0.000 4.032) 4.032 10.716 ( 0.000 0.000 -3.892) 3.892 10.898 ( 0.000 0.000 -1.026) 1.026 11.060 ( 0.000 0.000 -14.899) 14.899 11.085 ( 0.000 0.000 0.835) 0.835 11.190 ( 0.000 0.000 -8.136) 8.136 11.431 ( 0.000 0.000 4.683) 4.683 11.464 ( 0.000 0.000 10.347) 10.347 11.500 ( 0.000 0.000 -2.089) 2.089 11.656 ( 0.000 0.000 -8.913) 8.913 11.825 ( 0.000 0.000 1.335) 1.335 11.826 ( 0.000 0.000 0.901) 0.901 11.904 ( 0.000 0.000 4.350) 4.350 12.007 ( 0.000 0.000 -7.132) 7.132 12.440 ( 0.000 0.000 6.089) 6.089 12.482 ( 0.000 0.000 1.285) 1.285 12.496 ( 0.000 0.000 -0.012) 0.012 12.590 ( 0.000 0.000 -10.533) 10.533 12.969 ( 0.000 0.000 8.312) 8.312 13.112 ( 0.000 0.000 -6.812) 6.812 13.333 ( 0.000 0.000 5.809) 5.809 13.361 ( 0.000 0.000 4.758) 4.758 13.421 ( 0.000 0.000 -3.100) 3.100 13.422 ( 0.000 0.000 -1.111) 1.111 13.465 ( 0.000 0.000 5.007) 5.007 13.548 ( 0.000 0.000 -3.565) 3.565 13.829 ( 0.000 0.000 2.441) 2.441 13.888 ( 0.000 0.000 -3.731) 3.731 13.922 ( 0.000 0.000 5.208) 5.208 14.024 ( 0.000 0.000 -5.433) 5.433 14.267 ( 0.000 0.000 3.291) 3.291 14.320 ( 0.000 0.000 5.724) 5.724 14.337 ( 0.000 0.000 -3.504) 3.504 14.422 ( 0.000 0.000 -4.752) 4.752 15.366 ( 0.000 0.000 0.663) 0.663 15.385 ( 0.000 0.000 -1.313) 1.313 15.389 ( 0.000 0.000 -0.445) 0.445 15.396 ( 0.000 0.000 -1.291) 1.291 16.215 ( 0.000 0.000 4.819) 4.819 16.279 ( 0.000 0.000 2.568) 2.568 16.330 ( 0.000 0.000 -7.391) 7.391 16.331 ( 0.000 0.000 -2.865) 2.865 17.163 ( 0.000 0.000 8.092) 8.092 17.173 ( 0.000 0.000 5.283) 5.283 17.270 ( 0.000 0.000 -4.698) 4.698 17.301 ( 0.000 0.000 -6.393) 6.393 17.531 ( 0.000 0.000 6.059) 6.059 17.604 ( 0.000 0.000 12.121) 12.121 17.622 ( 0.000 0.000 -3.338) 3.338 17.824 ( 0.000 0.000 -10.511) 10.511 18.319 ( 0.000 0.000 6.816) 6.816 18.419 ( 0.000 0.000 5.558) 5.558 18.460 ( 0.000 0.000 -8.316) 8.316 18.556 ( 0.000 0.000 -8.764) 8.764 19.019 ( 0.000 0.000 1.070) 1.070 19.023 ( 0.000 0.000 0.119) 0.119 19.058 ( 0.000 0.000 1.587) 1.587 19.085 ( 0.000 0.000 -1.095) 1.095 20.234 ( 0.000 0.000 3.452) 3.452 20.297 ( 0.000 0.000 -3.161) 3.161 20.517 ( 0.000 0.000 1.660) 1.660 20.544 ( 0.000 0.000 -1.185) 1.185 21.626 ( 0.000 0.000 3.263) 3.263 21.673 ( 0.000 0.000 -1.684) 1.684 21.747 ( 0.000 0.000 5.201) 5.201 21.843 ( 0.000 0.000 -4.725) 4.725 22.256 ( 0.000 0.000 4.420) 4.420 22.334 ( 0.000 0.000 -3.631) 3.631 22.581 ( 0.000 0.000 13.683) 13.683 22.782 ( 0.000 0.000 -6.348) 6.348 22.857 ( 0.000 0.000 2.189) 2.189 22.903 ( 0.000 0.000 -3.662) 3.662 22.978 ( 0.000 0.000 0.188) 0.188 22.987 ( 0.000 0.000 -0.711) 0.711 23.072 ( 0.000 0.000 3.943) 3.943 23.145 ( 0.000 0.000 -2.913) 2.913 23.255 ( 0.000 0.000 0.677) 0.677 23.262 ( 0.000 0.000 1.553) 1.553 23.287 ( 0.000 0.000 -1.038) 1.038 23.288 ( 0.000 0.000 -3.076) 3.076 23.463 ( 0.000 0.000 1.450) 1.450 23.493 ( 0.000 0.000 -1.753) 1.753 23.709 ( 0.000 0.000 2.055) 2.055 23.768 ( 0.000 0.000 -4.459) 4.459 23.775 ( 0.000 0.000 1.672) 1.672 23.803 ( 0.000 0.000 -1.215) 1.215 24.410 ( 0.000 0.000 6.323) 6.323 24.505 ( 0.000 0.000 -3.627) 3.627 24.510 ( 0.000 0.000 -0.309) 0.309 24.517 ( 0.000 0.000 -0.978) 0.978 24.886 ( 0.000 0.000 4.242) 4.242 24.891 ( 0.000 0.000 3.525) 3.525 24.953 ( 0.000 0.000 -2.659) 2.659 24.958 ( 0.000 0.000 -3.156) 3.156 25.364 ( 0.000 0.000 2.483) 2.483 25.431 ( 0.000 0.000 -4.443) 4.443 25.452 ( 0.000 0.000 0.669) 0.669 25.474 ( 0.000 0.000 -1.491) 1.491 26.447 ( 0.000 0.000 5.398) 5.398 26.554 ( 0.000 0.000 -5.635) 5.635 26.858 ( 0.000 0.000 10.302) 10.302 27.090 ( 0.000 0.000 -13.792) 13.792 ======================= Grid point 67 (26/36) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 11.816 0.000 32.214) 34.313 1.672 ( 16.040 0.000 26.277) 30.786 1.964 ( 3.030 0.000 15.432) 15.727 1.995 ( -3.502 0.000 9.516) 10.140 2.077 ( 0.117 0.000 -6.720) 6.721 2.160 ( -7.209 0.000 4.571) 8.536 2.316 ( 7.821 0.000 -0.028) 7.821 2.366 ( 8.121 0.000 -22.896) 24.293 2.490 ( -2.167 0.000 7.228) 7.546 2.510 ( -6.923 0.000 -2.236) 7.276 2.591 ( -7.743 0.000 -6.661) 10.214 2.676 ( -10.778 0.000 -17.165) 20.268 2.979 ( 5.064 0.000 7.308) 8.891 2.997 ( 8.070 0.000 6.034) 10.077 3.089 ( 3.384 0.000 -1.990) 3.925 3.191 ( 8.885 0.000 -2.696) 9.286 3.195 ( 5.926 0.000 1.299) 6.066 3.280 ( -12.329 0.000 -1.555) 12.427 3.370 ( -4.342 0.000 -10.639) 11.491 3.446 ( -8.912 0.000 -14.406) 16.939 3.863 ( -2.875 0.000 10.094) 10.495 3.886 ( -3.966 0.000 11.274) 11.951 4.045 ( -2.768 0.000 -3.492) 4.456 4.050 ( -2.828 0.000 -1.513) 3.207 4.163 ( 6.273 0.000 -4.467) 7.701 4.244 ( -5.101 0.000 7.410) 8.996 4.283 ( 5.943 0.000 -8.715) 10.548 4.420 ( -4.023 0.000 -2.613) 4.798 4.441 ( 6.554 0.000 6.190) 9.015 4.472 ( -4.129 0.000 4.753) 6.296 4.520 ( 2.293 0.000 3.324) 4.038 4.574 ( 5.138 0.000 -2.977) 5.938 4.610 ( -1.856 0.000 -1.533) 2.408 4.628 ( 6.463 0.000 -5.379) 8.408 4.733 ( -7.264 0.000 0.343) 7.272 4.861 ( -12.991 0.000 -10.568) 16.746 4.887 ( 11.595 0.000 2.210) 11.803 4.944 ( 5.659 0.000 -5.137) 7.643 5.075 ( -8.095 0.000 5.014) 9.522 5.106 ( -8.244 0.000 1.734) 8.425 5.141 ( 8.644 0.000 5.175) 10.075 5.279 ( 9.563 0.000 -10.863) 14.473 5.291 ( -4.719 0.000 8.710) 9.906 5.411 ( -1.476 0.000 -4.029) 4.291 5.474 ( -0.517 0.000 6.642) 6.662 5.504 ( -2.456 0.000 -1.802) 3.046 5.580 ( 1.635 0.000 -3.353) 3.730 5.593 ( -4.998 0.000 -9.670) 10.885 5.781 ( -0.672 0.000 0.744) 1.002 5.832 ( -7.214 0.000 6.707) 9.850 5.837 ( 0.272 0.000 -3.450) 3.461 5.922 ( -5.809 0.000 -2.248) 6.229 6.051 ( -0.362 0.000 12.823) 12.828 6.068 ( -3.007 0.000 9.113) 9.596 6.134 ( 5.536 0.000 3.707) 6.662 6.185 ( 4.333 0.000 0.291) 4.343 6.225 ( 3.601 0.000 1.570) 3.928 6.232 ( -0.974 0.000 3.777) 3.901 6.347 ( 2.863 0.000 -2.191) 3.605 6.393 ( -0.667 0.000 -6.349) 6.384 6.527 ( 7.104 0.000 -0.142) 7.106 6.557 ( 1.582 0.000 -0.602) 1.693 6.582 ( 4.410 0.000 1.809) 4.766 6.638 ( -2.673 0.000 -5.233) 5.876 6.751 ( -1.619 0.000 1.396) 2.138 6.751 ( -1.101 0.000 0.871) 1.404 6.796 ( -3.785 0.000 -1.414) 4.041 6.817 ( -4.134 0.000 -4.254) 5.932 7.046 ( 0.097 0.000 2.756) 2.757 7.050 ( -0.184 0.000 -0.183) 0.260 7.161 ( 2.955 0.000 -7.001) 7.599 7.168 ( 2.816 0.000 -7.251) 7.778 7.410 ( 8.805 0.000 2.820) 9.246 7.490 ( 3.437 0.000 3.474) 4.887 7.498 ( 5.803 0.000 -3.548) 6.802 7.558 ( 2.991 0.000 -2.725) 4.046 7.649 ( -0.517 0.000 0.851) 0.996 7.681 ( -3.737 0.000 4.792) 6.077 7.704 ( 2.581 0.000 -4.880) 5.521 7.733 ( 2.582 0.000 -0.561) 2.642 7.811 ( 0.005 0.000 -1.682) 1.682 7.843 ( -5.174 0.000 1.628) 5.424 7.850 ( -0.985 0.000 -4.347) 4.457 7.913 ( -6.439 0.000 -5.585) 8.524 8.075 ( 6.365 0.000 1.362) 6.509 8.147 ( 4.433 0.000 -5.622) 7.160 8.158 ( -0.291 0.000 3.194) 3.207 8.211 ( -3.292 0.000 -3.320) 4.675 8.371 ( -2.621 0.000 5.384) 5.988 8.419 ( -8.473 0.000 3.026) 8.997 8.434 ( 1.965 0.000 -0.747) 2.102 8.495 ( -4.791 0.000 -3.794) 6.111 8.592 ( 1.068 0.000 1.639) 1.956 8.624 ( -1.848 0.000 0.893) 2.053 8.642 ( 2.079 0.000 -3.730) 4.270 8.677 ( -1.496 0.000 -4.409) 4.656 8.894 ( 1.340 0.000 9.776) 9.868 8.950 ( -2.414 0.000 9.408) 9.712 9.066 ( 2.918 0.000 -5.382) 6.122 9.093 ( 0.272 0.000 -2.707) 2.720 9.215 ( 0.499 0.000 4.003) 4.034 9.216 ( 0.842 0.000 1.562) 1.775 9.262 ( 2.540 0.000 -3.994) 4.733 9.289 ( 0.196 0.000 -4.373) 4.377 9.480 ( -0.805 0.000 5.632) 5.690 9.523 ( -4.366 0.000 5.109) 6.720 9.546 ( 1.599 0.000 -1.241) 2.024 9.589 ( -2.442 0.000 -1.906) 3.097 9.835 ( 3.121 0.000 6.843) 7.521 9.895 ( -1.231 0.000 3.482) 3.693 9.937 ( 0.983 0.000 -1.531) 1.819 9.941 ( 0.597 0.000 -4.140) 4.183 10.482 ( 5.206 0.000 5.933) 7.894 10.534 ( 9.364 0.000 5.564) 10.893 10.576 ( -3.877 0.000 5.774) 6.955 10.728 ( -1.257 0.000 -9.304) 9.388 10.847 ( -4.102 0.000 0.319) 4.114 10.851 ( -12.765 0.000 11.332) 17.069 11.038 ( -0.910 0.000 -13.696) 13.726 11.089 ( -6.407 0.000 -12.305) 13.873 11.490 ( 1.976 0.000 7.910) 8.153 11.500 ( 2.397 0.000 5.644) 6.132 11.603 ( 5.425 0.000 -4.414) 6.994 11.652 ( -0.376 0.000 -7.717) 7.726 11.794 ( -1.187 0.000 4.809) 4.953 11.806 ( -3.935 0.000 6.301) 7.429 11.887 ( 3.198 0.000 -4.153) 5.242 11.951 ( -3.837 0.000 -8.460) 9.289 12.490 ( 4.885 0.000 6.610) 8.219 12.566 ( 1.967 0.000 4.559) 4.966 12.621 ( 2.736 0.000 -7.808) 8.274 12.638 ( 4.043 0.000 -2.225) 4.615 12.971 ( 6.735 0.000 6.031) 9.041 13.062 ( 3.281 0.000 -3.074) 4.496 13.227 ( -13.764 0.000 2.425) 13.976 13.244 ( -10.742 0.000 0.555) 10.756 13.443 ( 4.741 0.000 1.719) 5.043 13.462 ( 3.807 0.000 -0.513) 3.842 13.497 ( -0.885 0.000 2.366) 2.526 13.526 ( -2.033 0.000 -0.641) 2.132 13.902 ( 5.109 0.000 -0.661) 5.151 13.918 ( 2.861 0.000 -2.123) 3.563 13.939 ( 0.372 0.000 2.315) 2.344 13.995 ( -2.865 0.000 -3.506) 4.527 14.268 ( 0.413 0.000 4.535) 4.553 14.295 ( -1.990 0.000 6.054) 6.372 14.363 ( 2.303 0.000 -4.821) 5.342 14.407 ( -1.624 0.000 -5.406) 5.644 15.354 ( -0.810 0.000 2.449) 2.579 15.363 ( -1.221 0.000 0.788) 1.453 15.389 ( 1.523 0.000 -1.926) 2.455 15.414 ( -0.412 0.000 -4.365) 4.384 16.242 ( 2.161 0.000 3.996) 4.543 16.275 ( -0.776 0.000 2.936) 3.037 16.338 ( 0.558 0.000 -6.263) 6.288 16.340 ( 0.483 0.000 -3.942) 3.971 17.169 ( 0.573 0.000 6.802) 6.826 17.177 ( 0.087 0.000 5.051) 5.052 17.258 ( -0.282 0.000 -3.025) 3.038 17.279 ( -1.823 0.000 -4.402) 4.764 17.553 ( 1.795 0.000 6.131) 6.389 17.588 ( -1.503 0.000 9.440) 9.559 17.661 ( 3.899 0.000 -4.450) 5.917 17.761 ( -5.276 0.000 -7.898) 9.498 18.356 ( 2.758 0.000 5.753) 6.380 18.402 ( -1.653 0.000 5.529) 5.771 18.489 ( 2.583 0.000 -8.261) 8.655 18.538 ( -1.862 0.000 -8.654) 8.852 19.021 ( 0.523 0.000 1.288) 1.390 19.035 ( 1.030 0.000 -0.045) 1.031 19.042 ( -1.329 0.000 1.509) 2.010 19.063 ( -1.710 0.000 -0.487) 1.778 20.282 ( 4.981 0.000 4.799) 6.917 20.360 ( 5.690 0.000 -3.477) 6.668 20.419 ( -7.720 0.000 4.642) 9.008 20.485 ( -5.692 0.000 -2.685) 6.293 21.638 ( 1.431 0.000 3.958) 4.209 21.691 ( -3.773 0.000 5.185) 6.412 21.698 ( 2.555 0.000 -2.253) 3.407 21.775 ( -4.869 0.000 -3.576) 6.042 22.379 ( 10.057 0.000 2.501) 10.363 22.412 ( 6.379 0.000 -0.371) 6.390 22.527 ( -4.952 0.000 7.658) 9.120 22.606 ( -11.396 0.000 -1.264) 11.466 22.916 ( 4.993 0.000 5.207) 7.214 22.975 ( -0.415 0.000 1.547) 1.601 23.002 ( 0.998 0.000 -1.268) 1.614 23.004 ( 1.841 0.000 -2.424) 3.044 23.102 ( 2.932 0.000 0.371) 2.955 23.143 ( 3.596 0.000 -3.232) 4.835 23.208 ( -9.379 0.000 5.271) 10.759 23.250 ( -2.184 0.000 0.165) 2.190 23.260 ( 0.996 0.000 2.369) 2.570 23.310 ( -4.788 0.000 2.625) 5.460 23.314 ( 1.921 0.000 -3.368) 3.878 23.396 ( -7.484 0.000 -4.976) 8.988 23.743 ( 2.859 0.000 1.726) 3.340 23.792 ( -1.339 0.000 0.590) 1.464 23.794 ( 2.026 0.000 -3.923) 4.416 23.816 ( 0.569 0.000 -2.222) 2.293 24.430 ( 1.896 0.000 5.963) 6.257 24.476 ( -2.324 0.000 3.785) 4.442 24.517 ( 1.117 0.000 -3.330) 3.512 24.534 ( -0.027 0.000 -2.602) 2.602 24.881 ( 0.200 0.000 4.654) 4.658 24.889 ( -0.283 0.000 3.759) 3.769 24.959 ( 0.168 0.000 -3.255) 3.259 24.959 ( 0.073 0.000 -3.245) 3.246 25.367 ( 0.651 0.000 1.828) 1.940 25.404 ( -2.812 0.000 0.514) 2.859 25.422 ( -0.565 0.000 -4.072) 4.111 25.432 ( -2.276 0.000 -2.576) 3.438 26.583 ( 10.960 0.000 8.169) 13.670 26.781 ( 15.754 0.000 -13.279) 20.604 26.781 ( -7.509 0.000 10.158) 12.632 27.019 ( -7.509 0.000 -14.822) 16.616 ======================= Grid point 69 (27/36) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 13.402 28.693) 31.668 1.762 ( 0.000 21.158 27.030) 34.326 1.992 ( 0.000 6.255 3.338) 7.090 2.029 ( 0.000 1.837 -2.195) 2.863 2.083 ( 0.000 7.589 -21.384) 22.691 2.284 ( 0.000 8.878 -8.285) 12.143 2.432 ( 0.000 20.334 17.611) 26.900 2.514 ( 0.000 15.595 -8.915) 17.963 2.656 ( 0.000 -1.053 3.198) 3.367 2.672 ( 0.000 0.628 5.702) 5.736 2.773 ( 0.000 8.964 6.100) 10.842 2.898 ( 0.000 8.249 3.374) 8.913 2.961 ( 0.000 6.705 -0.612) 6.733 2.983 ( 0.000 10.462 -10.555) 14.861 3.148 ( 0.000 11.125 7.953) 13.675 3.155 ( 0.000 13.425 -1.762) 13.540 3.240 ( 0.000 9.541 2.780) 9.938 3.453 ( 0.000 5.435 -1.824) 5.733 3.565 ( 0.000 12.068 -11.471) 16.650 3.605 ( 0.000 5.615 -16.192) 17.138 3.799 ( 0.000 -5.160 4.205) 6.656 3.888 ( 0.000 -8.660 -2.346) 8.972 3.976 ( 0.000 -2.314 2.554) 3.446 4.051 ( 0.000 -0.988 -5.828) 5.911 4.212 ( 0.000 1.742 2.566) 3.102 4.227 ( 0.000 -2.037 4.501) 4.941 4.271 ( 0.000 -7.064 -0.007) 7.064 4.309 ( 0.000 -2.410 -5.091) 5.633 4.406 ( 0.000 -0.945 2.876) 3.028 4.488 ( 0.000 -1.191 -5.041) 5.180 4.524 ( 0.000 -1.489 -2.904) 3.263 4.533 ( 0.000 -3.391 4.625) 5.736 4.565 ( 0.000 -2.577 -3.491) 4.339 4.605 ( 0.000 0.267 -3.036) 3.048 4.725 ( 0.000 -0.647 7.626) 7.653 4.836 ( 0.000 -0.195 7.089) 7.092 4.864 ( 0.000 -1.483 -8.549) 8.677 5.010 ( 0.000 0.666 -3.533) 3.595 5.053 ( 0.000 2.665 3.774) 4.620 5.137 ( 0.000 -1.581 -7.424) 7.590 5.182 ( 0.000 -1.408 6.997) 7.138 5.210 ( 0.000 3.139 4.500) 5.487 5.323 ( 0.000 1.851 0.654) 1.963 5.372 ( 0.000 -3.569 -4.617) 5.836 5.442 ( 0.000 -3.942 5.537) 6.797 5.508 ( 0.000 -2.907 -2.915) 4.117 5.638 ( 0.000 -2.440 0.628) 2.519 5.643 ( 0.000 0.198 -1.664) 1.676 5.746 ( 0.000 -6.585 4.556) 8.008 5.812 ( 0.000 -5.586 0.998) 5.674 5.889 ( 0.000 0.273 2.907) 2.920 5.966 ( 0.000 -5.654 5.937) 8.199 6.012 ( 0.000 -2.346 -0.305) 2.365 6.016 ( 0.000 -0.352 9.264) 9.270 6.067 ( 0.000 -1.252 3.879) 4.076 6.130 ( 0.000 -2.712 2.779) 3.883 6.193 ( 0.000 2.076 -4.627) 5.071 6.195 ( 0.000 -2.341 4.800) 5.340 6.251 ( 0.000 -2.765 1.139) 2.991 6.341 ( 0.000 -3.526 -8.418) 9.127 6.441 ( 0.000 2.393 0.086) 2.394 6.466 ( 0.000 -2.435 -4.803) 5.385 6.575 ( 0.000 -7.540 0.797) 7.582 6.599 ( 0.000 -5.058 -3.058) 5.910 6.701 ( 0.000 -4.954 3.180) 5.887 6.707 ( 0.000 -1.443 0.739) 1.621 6.817 ( 0.000 -3.119 -2.434) 3.957 6.872 ( 0.000 -2.187 -9.596) 9.842 7.018 ( 0.000 -2.967 2.692) 4.006 7.058 ( 0.000 -1.318 -0.844) 1.566 7.145 ( 0.000 0.433 -3.667) 3.693 7.145 ( 0.000 2.287 -4.408) 4.966 7.268 ( 0.000 -1.921 -0.229) 1.935 7.309 ( 0.000 -3.408 -2.123) 4.016 7.518 ( 0.000 1.856 2.462) 3.083 7.532 ( 0.000 -3.036 1.988) 3.629 7.560 ( 0.000 -5.631 2.443) 6.138 7.586 ( 0.000 -4.121 0.418) 4.142 7.684 ( 0.000 -2.115 -3.067) 3.725 7.702 ( 0.000 -2.838 -1.476) 3.199 7.789 ( 0.000 -3.617 -1.746) 4.016 7.822 ( 0.000 -1.749 -3.117) 3.575 7.871 ( 0.000 -6.368 -0.252) 6.373 7.893 ( 0.000 -6.490 -3.170) 7.223 8.026 ( 0.000 1.022 -1.167) 1.551 8.040 ( 0.000 -0.169 -2.605) 2.610 8.193 ( 0.000 -1.716 1.116) 2.047 8.252 ( 0.000 -1.756 -3.935) 4.309 8.333 ( 0.000 -5.535 1.640) 5.772 8.342 ( 0.000 -4.933 1.475) 5.149 8.499 ( 0.000 -5.153 1.456) 5.355 8.508 ( 0.000 -4.328 -0.465) 4.353 8.593 ( 0.000 -1.870 -1.507) 2.401 8.599 ( 0.000 -3.518 -1.128) 3.694 8.654 ( 0.000 -1.270 2.107) 2.460 8.717 ( 0.000 2.713 -3.431) 4.374 8.853 ( 0.000 -2.017 4.459) 4.894 8.857 ( 0.000 -5.681 4.853) 7.471 8.975 ( 0.000 -7.786 -3.410) 8.499 8.978 ( 0.000 -3.728 -1.838) 4.156 9.166 ( 0.000 1.064 2.637) 2.843 9.199 ( 0.000 1.452 -0.951) 1.736 9.277 ( 0.000 -4.000 0.125) 4.002 9.306 ( 0.000 0.611 0.090) 0.617 9.474 ( 0.000 0.478 6.027) 6.046 9.544 ( 0.000 3.207 1.461) 3.524 9.642 ( 0.000 0.761 3.570) 3.650 9.660 ( 0.000 3.029 -0.655) 3.099 9.799 ( 0.000 0.366 5.907) 5.918 9.862 ( 0.000 -1.080 -0.490) 1.186 9.978 ( 0.000 3.616 -0.781) 3.699 10.000 ( 0.000 5.328 -3.505) 6.378 10.452 ( 0.000 1.208 5.299) 5.435 10.476 ( 0.000 3.672 5.773) 6.842 10.651 ( 0.000 2.337 1.804) 2.953 10.727 ( 0.000 0.811 -4.922) 4.988 10.869 ( 0.000 -1.697 4.361) 4.679 11.043 ( 0.000 -0.544 -12.090) 12.103 11.071 ( 0.000 -1.305 0.916) 1.595 11.151 ( 0.000 -4.660 -4.781) 6.676 11.372 ( 0.000 -3.321 5.122) 6.104 11.437 ( 0.000 0.703 1.636) 1.781 11.570 ( 0.000 -7.626 -2.489) 8.022 11.610 ( 0.000 3.198 -3.059) 4.425 11.806 ( 0.000 -0.911 1.480) 1.738 11.820 ( 0.000 0.804 -0.497) 0.945 11.924 ( 0.000 0.270 1.850) 1.870 11.995 ( 0.000 -1.197 -6.685) 6.791 12.401 ( 0.000 -4.450 -0.339) 4.463 12.404 ( 0.000 -7.081 -0.951) 7.145 12.472 ( 0.000 -1.169 6.726) 6.827 12.624 ( 0.000 0.887 -9.554) 9.595 12.960 ( 0.000 -1.117 7.024) 7.112 13.021 ( 0.000 -7.489 2.397) 7.864 13.280 ( 0.000 -5.265 3.405) 6.270 13.310 ( 0.000 -5.751 -0.656) 5.788 13.374 ( 0.000 -0.648 3.299) 3.362 13.404 ( 0.000 -1.576 -0.016) 1.577 13.515 ( 0.000 1.813 0.132) 1.817 13.526 ( 0.000 -1.678 -0.704) 1.819 13.783 ( 0.000 -7.061 1.916) 7.317 13.803 ( 0.000 -2.647 -0.550) 2.704 13.967 ( 0.000 0.903 0.814) 1.216 14.011 ( 0.000 -1.364 -3.522) 3.777 14.210 ( 0.000 -6.403 5.343) 8.340 14.273 ( 0.000 -2.610 3.161) 4.099 14.297 ( 0.000 -4.832 -3.658) 6.060 14.354 ( 0.000 -5.541 -4.567) 7.180 15.281 ( 0.000 -4.631 3.383) 5.735 15.350 ( 0.000 -2.883 -3.347) 4.418 15.381 ( 0.000 -0.883 -0.535) 1.032 15.398 ( 0.000 -0.855 -1.746) 1.945 16.193 ( 0.000 -1.669 2.655) 3.136 16.235 ( 0.000 -3.269 -0.337) 3.287 16.324 ( 0.000 -0.854 -1.940) 2.120 16.326 ( 0.000 -0.979 -3.618) 3.748 17.063 ( 0.000 -5.986 6.301) 8.691 17.153 ( 0.000 -3.984 5.897) 7.117 17.165 ( 0.000 -6.619 -4.777) 8.163 17.263 ( 0.000 -5.048 -5.483) 7.453 17.549 ( 0.000 2.683 6.319) 6.865 17.646 ( 0.000 3.219 -3.523) 4.772 17.663 ( 0.000 4.044 12.300) 12.947 17.886 ( 0.000 4.739 -10.416) 11.444 18.289 ( 0.000 -2.168 5.812) 6.203 18.398 ( 0.000 -1.527 6.945) 7.111 18.425 ( 0.000 -2.582 -9.704) 10.042 18.562 ( 0.000 0.055 -9.747) 9.747 19.096 ( 0.000 8.932 0.514) 8.946 19.105 ( 0.000 10.054 0.022) 10.054 19.239 ( 0.000 13.925 2.648) 14.174 19.283 ( 0.000 14.639 -1.883) 14.760 20.300 ( 0.000 5.956 3.225) 6.773 20.351 ( 0.000 4.814 -1.623) 5.080 20.553 ( 0.000 3.084 2.203) 3.790 20.595 ( 0.000 4.380 -1.960) 4.798 21.622 ( 0.000 -0.214 2.963) 2.971 21.651 ( 0.000 -1.120 0.614) 1.277 21.767 ( 0.000 0.901 2.412) 2.574 21.836 ( 0.000 -0.995 -3.958) 4.082 22.274 ( 0.000 1.737 4.275) 4.614 22.349 ( 0.000 1.450 -3.494) 3.783 22.559 ( 0.000 -1.719 13.429) 13.539 22.758 ( 0.000 -2.260 -5.824) 6.247 22.758 ( 0.000 -7.798 5.605) 9.603 22.852 ( 0.000 -2.778 -6.335) 6.918 22.908 ( 0.000 -8.290 8.770) 12.067 23.039 ( 0.000 -1.571 -4.579) 4.841 23.114 ( 0.000 8.297 1.557) 8.442 23.158 ( 0.000 4.396 -3.202) 5.438 23.250 ( 0.000 4.626 0.177) 4.629 23.253 ( 0.000 4.014 -0.370) 4.031 23.412 ( 0.000 11.793 1.136) 11.848 23.430 ( 0.000 9.493 -0.696) 9.518 23.651 ( 0.000 12.881 0.710) 12.901 23.671 ( 0.000 11.736 -0.977) 11.776 23.760 ( 0.000 6.044 -1.261) 6.175 23.762 ( 0.000 0.524 0.363) 0.637 23.813 ( 0.000 1.840 -1.112) 2.150 23.815 ( 0.000 3.566 -2.588) 4.406 24.370 ( 0.000 -3.069 5.952) 6.696 24.431 ( 0.000 -4.059 0.068) 4.059 24.502 ( 0.000 -1.406 0.482) 1.486 24.535 ( 0.000 -1.042 -2.832) 3.018 24.804 ( 0.000 -5.402 4.509) 7.036 24.846 ( 0.000 -3.387 1.200) 3.593 24.977 ( 0.000 0.593 -1.439) 1.557 24.994 ( 0.000 1.181 -2.492) 2.757 25.314 ( 0.000 -1.967 3.363) 3.896 25.387 ( 0.000 -2.424 -3.934) 4.620 25.504 ( 0.000 1.690 0.843) 1.888 25.590 ( 0.000 8.482 -9.234) 12.538 26.408 ( 0.000 -3.818 5.139) 6.402 26.510 ( 0.000 -4.363 -5.316) 6.877 26.785 ( 0.000 -7.069 9.126) 11.544 26.994 ( 0.000 -9.358 -12.448) 15.573 ======================= Grid point 70 (28/36) ======================= q-point: ( 0.33 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 14.765 11.642 22.408) 29.251 1.878 ( 9.238 16.777 20.256) 27.877 1.994 ( 1.407 5.869 15.025) 16.192 2.092 ( 1.372 6.398 4.279) 7.819 2.177 ( 5.477 10.851 -7.791) 14.437 2.292 ( -3.440 9.888 6.201) 12.168 2.411 ( -0.423 8.285 -3.607) 9.046 2.489 ( -2.758 10.490 -0.944) 10.887 2.534 ( -4.662 7.542 -11.711) 14.689 2.638 ( -2.454 6.126 -4.535) 8.007 2.671 ( -3.553 12.103 -3.665) 13.135 2.771 ( -6.366 8.735 -12.940) 16.860 2.994 ( 4.004 4.419 3.380) 6.854 3.087 ( 4.739 6.602 -0.070) 8.127 3.189 ( 3.254 9.065 8.009) 12.527 3.228 ( -0.035 4.697 -1.538) 4.942 3.269 ( 3.263 6.864 -0.402) 7.611 3.353 ( -10.200 6.123 -1.385) 11.977 3.449 ( -1.367 8.222 -3.584) 9.072 3.549 ( -7.640 9.455 -10.016) 15.751 3.789 ( 1.421 -1.832 7.753) 8.092 3.936 ( -1.521 0.078 9.473) 9.595 3.966 ( 0.264 -1.158 -5.266) 5.398 4.135 ( 6.801 -2.549 0.274) 7.268 4.188 ( -3.129 4.409 4.263) 6.885 4.241 ( -1.127 0.357 1.553) 1.952 4.295 ( 0.146 -2.196 0.165) 2.207 4.328 ( 1.867 -5.288 0.122) 5.609 4.386 ( 2.900 -7.361 -3.342) 8.588 4.417 ( -1.590 1.725 -7.040) 7.421 4.502 ( -2.526 -2.459 4.368) 5.613 4.570 ( 3.274 2.460 0.888) 4.190 4.622 ( 5.694 0.568 -3.674) 6.800 4.639 ( 3.543 -1.519 0.864) 3.950 4.734 ( -6.684 -0.824 -1.427) 6.884 4.829 ( -1.301 -2.860 -5.915) 6.698 4.888 ( 3.144 -0.102 2.684) 4.135 4.978 ( 0.419 1.976 -1.087) 2.294 5.071 ( -0.838 -1.826 2.350) 3.092 5.081 ( -5.666 -1.956 2.441) 6.472 5.169 ( -0.764 2.716 1.456) 3.175 5.256 ( 6.325 -0.976 -5.307) 8.314 5.300 ( -5.189 -0.733 3.169) 6.124 5.367 ( -0.157 -4.009 -2.083) 4.520 5.406 ( -2.227 -4.633 5.384) 7.444 5.463 ( 1.152 -3.231 -2.194) 4.072 5.554 ( -1.896 -2.673 -3.025) 4.460 5.581 ( -6.685 -2.386 -3.756) 8.030 5.741 ( 2.810 -3.023 2.635) 4.896 5.811 ( 0.801 -2.461 -1.864) 3.190 5.835 ( -6.781 -0.204 4.254) 8.008 5.921 ( -6.722 -1.935 -3.159) 7.675 5.980 ( 2.698 -4.381 4.558) 6.874 6.019 ( -1.024 -4.604 7.045) 8.478 6.053 ( -1.186 -2.481 3.050) 4.107 6.118 ( -4.206 -7.784 0.942) 8.898 6.183 ( 6.696 -2.178 4.874) 8.564 6.287 ( 0.810 1.520 2.532) 3.063 6.357 ( 4.026 0.117 -2.498) 4.740 6.393 ( 2.137 -1.816 -8.392) 8.848 6.507 ( 4.422 -3.285 0.555) 5.537 6.522 ( 3.559 -2.126 2.071) 4.634 6.570 ( 4.007 -0.307 -0.060) 4.019 6.625 ( 0.728 -2.609 -4.831) 5.539 6.672 ( -1.189 -4.948 3.011) 5.913 6.732 ( -2.477 -0.755 -1.632) 3.061 6.761 ( -0.726 -3.987 -4.694) 6.201 6.823 ( -3.861 -0.027 -6.093) 7.213 6.997 ( -1.868 -2.916 4.769) 5.894 7.044 ( 0.225 -2.893 1.946) 3.494 7.139 ( 1.538 -1.732 -7.703) 8.044 7.175 ( -0.625 -2.402 -10.106) 10.406 7.366 ( 9.489 -1.922 5.781) 11.276 7.422 ( 7.415 -1.669 1.194) 7.693 7.527 ( 0.341 -3.246 1.389) 3.547 7.543 ( -0.098 -1.048 0.563) 1.194 7.573 ( 0.100 -6.751 2.279) 7.125 7.597 ( -2.373 -5.143 2.240) 6.091 7.658 ( -1.371 -4.225 -3.617) 5.728 7.677 ( -1.048 -6.252 -4.192) 7.600 7.777 ( -0.247 -2.645 2.116) 3.396 7.824 ( 1.337 -1.919 -1.225) 2.640 7.869 ( -0.605 -0.540 -1.240) 1.482 7.909 ( -0.938 -0.567 -4.251) 4.390 8.058 ( 5.324 -2.206 3.138) 6.562 8.102 ( 2.664 -2.597 0.037) 3.721 8.194 ( -0.532 -0.998 -2.632) 2.865 8.216 ( -3.208 -0.870 -3.340) 4.712 8.337 ( 0.174 -1.881 2.231) 2.924 8.378 ( 3.265 -4.114 -1.164) 5.380 8.425 ( -4.896 -2.288 1.714) 5.669 8.462 ( -2.997 -2.999 -0.415) 4.260 8.550 ( -1.182 -4.966 -1.371) 5.286 8.592 ( -0.857 -2.852 -4.298) 5.229 8.627 ( -2.534 -1.104 1.203) 3.015 8.697 ( -1.003 1.873 -5.109) 5.534 8.857 ( 0.749 -1.738 6.941) 7.194 8.896 ( 0.919 -3.908 7.047) 8.110 8.990 ( 1.647 -8.586 -0.085) 8.743 8.993 ( 0.926 -3.628 -3.508) 5.131 9.134 ( -0.925 -2.031 0.740) 2.351 9.202 ( -0.241 1.355 -5.270) 5.447 9.264 ( -1.846 -5.706 1.827) 6.269 9.280 ( -1.412 -0.636 1.017) 1.852 9.455 ( -0.411 2.124 8.740) 9.004 9.580 ( 1.107 2.736 1.857) 3.487 9.620 ( -1.569 2.939 -1.303) 3.577 9.660 ( 0.913 2.953 -1.132) 3.291 9.831 ( 2.357 -0.539 8.458) 8.797 9.890 ( 0.867 0.567 3.405) 3.559 9.978 ( 0.221 3.154 -2.199) 3.851 9.988 ( -1.003 4.054 -4.332) 6.017 10.508 ( 4.831 1.496 5.860) 7.740 10.564 ( 7.220 2.390 4.525) 8.850 10.605 ( -3.067 2.443 5.174) 6.492 10.729 ( -1.295 -0.189 -9.231) 9.323 10.796 ( -5.523 -1.195 5.273) 7.729 10.873 ( -8.481 -0.282 6.474) 10.673 11.011 ( -4.058 -0.720 -13.745) 14.349 11.087 ( -4.626 -1.837 -10.230) 11.377 11.396 ( 3.635 -4.832 9.176) 10.989 11.532 ( 0.619 -2.848 3.852) 4.830 11.578 ( 2.708 -2.903 -5.978) 7.176 11.615 ( -0.385 -0.009 -3.823) 3.842 11.795 ( 1.278 0.840 2.774) 3.167 11.849 ( -1.312 1.284 2.147) 2.825 11.889 ( 1.022 0.720 -3.428) 3.649 11.966 ( -2.193 0.809 -7.372) 7.733 12.449 ( 4.579 -5.289 4.049) 8.083 12.501 ( 3.721 -5.551 2.863) 7.270 12.561 ( 5.494 -3.903 -0.875) 6.796 12.644 ( -2.543 -2.130 -4.917) 5.931 12.945 ( 5.867 -2.416 5.507) 8.401 13.022 ( 3.460 -3.655 -1.347) 5.210 13.193 ( -11.510 -4.015 2.086) 12.367 13.226 ( -9.047 -1.576 -0.312) 9.189 13.389 ( 5.556 -3.888 4.175) 7.964 13.441 ( 2.860 -1.620 -0.268) 3.298 13.491 ( -2.571 -0.938 1.863) 3.311 13.525 ( -1.015 -0.227 -0.479) 1.145 13.825 ( 2.843 -5.788 2.253) 6.831 13.874 ( 4.857 -2.901 -2.251) 6.088 13.956 ( -2.069 -1.533 0.263) 2.588 13.990 ( -1.017 -0.479 -2.405) 2.655 14.207 ( -0.028 -6.699 5.044) 8.385 14.254 ( -1.145 -2.594 4.896) 5.658 14.307 ( 0.481 -6.314 -4.882) 7.995 14.355 ( 0.028 -3.925 -5.031) 6.381 15.289 ( 0.863 -3.844 3.133) 5.034 15.343 ( -1.414 -1.629 1.482) 2.617 15.363 ( -0.121 -2.305 -3.388) 4.100 15.411 ( 0.441 -1.000 -4.409) 4.543 16.210 ( 1.116 -2.249 2.235) 3.361 16.252 ( 1.470 -2.554 0.572) 3.002 16.291 ( -1.852 -2.041 -1.769) 3.275 16.342 ( 0.332 -1.450 -4.477) 4.718 17.088 ( 2.068 -5.384 5.785) 8.169 17.136 ( -1.275 -5.204 4.828) 7.212 17.176 ( 0.959 -5.215 -2.657) 5.930 17.224 ( -2.977 -5.358 -3.558) 7.088 17.585 ( 2.765 3.326 5.848) 7.274 17.635 ( -1.864 3.871 8.966) 9.942 17.688 ( 3.555 3.029 -3.497) 5.835 17.811 ( -5.855 4.035 -7.992) 10.697 18.329 ( 2.937 -1.909 5.586) 6.593 18.378 ( -1.775 -1.678 6.496) 6.940 18.464 ( 2.875 -2.191 -9.106) 9.798 18.541 ( -1.927 -0.146 -9.909) 10.096 19.096 ( -0.000 9.251 0.815) 9.287 19.109 ( 0.303 10.176 -0.433) 10.190 19.226 ( -0.809 13.711 2.856) 14.029 19.271 ( -0.766 14.815 -1.641) 14.925 20.343 ( 4.353 5.447 4.874) 8.507 20.405 ( 3.728 4.358 0.162) 5.737 20.479 ( -4.921 4.839 1.512) 7.066 20.539 ( -5.119 4.653 -3.227) 7.634 21.639 ( 1.740 0.109 3.716) 4.104 21.669 ( 0.744 -0.764 2.725) 2.927 21.722 ( -1.929 0.923 -0.278) 2.156 21.772 ( -4.542 -0.352 -3.277) 5.612 22.388 ( 9.030 0.667 2.738) 9.459 22.423 ( 6.109 0.993 -0.270) 6.195 22.522 ( -3.598 -0.372 8.442) 9.184 22.606 ( -9.814 -0.329 -1.043) 9.875 22.793 ( -1.445 -6.598 6.704) 9.517 22.845 ( 2.872 -9.211 4.867) 10.807 22.941 ( 0.067 -4.475 -4.307) 6.212 23.003 ( -2.079 -5.609 -5.797) 8.330 23.150 ( 1.918 8.528 1.497) 8.868 23.187 ( 2.883 7.266 -2.166) 8.111 23.243 ( -0.938 3.689 1.340) 4.035 23.268 ( 0.737 3.733 -1.084) 3.956 23.425 ( 1.616 11.905 1.145) 12.069 23.447 ( 2.015 11.122 -0.969) 11.344 23.539 ( -7.078 15.278 0.876) 16.861 23.560 ( -6.935 12.692 -1.135) 14.508 23.762 ( 2.218 2.546 1.581) 3.728 23.807 ( 1.243 2.361 -2.440) 3.616 23.815 ( -0.508 2.988 -0.131) 3.034 23.852 ( 0.857 3.177 -3.328) 4.680 24.396 ( 2.416 -2.718 5.975) 6.994 24.441 ( -0.684 -3.110 3.723) 4.899 24.482 ( -0.551 -2.277 -1.483) 2.773 24.532 ( -0.514 -1.545 -3.460) 3.824 24.838 ( 2.352 -3.902 4.723) 6.562 24.859 ( 1.048 -2.498 3.286) 4.258 24.958 ( -1.250 -0.601 -3.312) 3.591 24.968 ( -2.083 -0.254 -3.742) 4.290 25.341 ( 2.635 -0.993 3.119) 4.202 25.395 ( -0.243 -0.582 -0.227) 0.670 25.449 ( -2.337 2.009 -2.729) 4.116 25.503 ( -5.579 5.478 -6.515) 10.177 26.531 ( 9.913 -5.095 7.370) 13.362 26.697 ( 7.065 -7.454 -3.610) 10.886 26.722 ( -0.178 -6.365 1.405) 6.521 26.924 ( -7.205 -9.117 -13.020) 17.451 ======================= Grid point 72 (29/36) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 17.436 15.158) 23.104 2.079 ( 0.000 8.355 -2.347) 8.678 2.126 ( 0.000 8.206 5.361) 9.803 2.232 ( 0.000 15.006 4.254) 15.597 2.298 ( 0.000 15.909 0.840) 15.931 2.482 ( 0.000 8.176 -2.578) 8.573 2.629 ( 0.000 2.781 -0.371) 2.805 2.636 ( 0.000 1.408 1.075) 1.771 2.837 ( 0.000 17.148 -8.449) 19.117 2.857 ( 0.000 13.125 -2.576) 13.375 3.043 ( 0.000 15.991 5.908) 17.047 3.044 ( 0.000 5.105 2.743) 5.795 3.137 ( 0.000 11.839 2.472) 12.094 3.258 ( 0.000 12.975 -5.762) 14.197 3.361 ( 0.000 6.268 2.078) 6.604 3.373 ( 0.000 2.012 -1.338) 2.416 3.525 ( 0.000 4.094 7.849) 8.853 3.534 ( 0.000 18.690 5.814) 19.573 3.713 ( 0.000 -1.642 -0.536) 1.728 3.729 ( 0.000 6.279 -1.940) 6.572 3.791 ( 0.000 3.470 -0.235) 3.478 3.807 ( 0.000 -0.090 -2.379) 2.381 3.973 ( 0.000 5.998 -2.715) 6.584 4.006 ( 0.000 1.176 -5.845) 5.962 4.130 ( 0.000 -3.256 -2.331) 4.004 4.133 ( 0.000 -8.477 -2.142) 8.743 4.220 ( 0.000 0.295 1.563) 1.591 4.264 ( 0.000 2.296 -0.628) 2.380 4.427 ( 0.000 -0.216 3.434) 3.441 4.431 ( 0.000 -2.514 5.488) 6.037 4.487 ( 0.000 -3.236 -1.152) 3.435 4.495 ( 0.000 -2.146 -1.594) 2.674 4.530 ( 0.000 -0.533 -2.169) 2.233 4.622 ( 0.000 -0.241 -6.275) 6.280 4.702 ( 0.000 -0.602 5.668) 5.700 4.819 ( 0.000 -0.935 -7.280) 7.340 4.834 ( 0.000 1.063 10.954) 11.005 5.038 ( 0.000 -0.331 -1.144) 1.191 5.042 ( 0.000 -4.062 4.579) 6.120 5.107 ( 0.000 -0.490 -5.762) 5.782 5.158 ( 0.000 -1.932 6.645) 6.920 5.200 ( 0.000 -5.339 -2.978) 6.113 5.323 ( 0.000 -1.993 0.035) 1.994 5.325 ( 0.000 -0.176 -1.622) 1.632 5.392 ( 0.000 -1.353 1.156) 1.780 5.475 ( 0.000 0.175 -3.291) 3.296 5.554 ( 0.000 -5.404 4.278) 6.892 5.609 ( 0.000 -3.443 -3.821) 5.143 5.666 ( 0.000 -0.728 5.043) 5.095 5.717 ( 0.000 -2.366 1.957) 3.071 5.854 ( 0.000 -4.458 5.690) 7.229 5.869 ( 0.000 -8.534 6.056) 10.464 5.966 ( 0.000 -3.792 1.617) 4.123 5.975 ( 0.000 -2.512 0.445) 2.551 6.012 ( 0.000 2.649 2.859) 3.898 6.063 ( 0.000 -2.964 0.839) 3.080 6.142 ( 0.000 -2.373 5.154) 5.674 6.201 ( 0.000 -1.246 -6.598) 6.715 6.262 ( 0.000 -5.421 -4.503) 7.047 6.263 ( 0.000 1.872 -4.036) 4.449 6.368 ( 0.000 -7.103 -2.640) 7.578 6.453 ( 0.000 -3.168 3.136) 4.458 6.463 ( 0.000 -5.128 -4.971) 7.142 6.508 ( 0.000 0.452 -8.808) 8.820 6.607 ( 0.000 -3.535 3.007) 4.641 6.628 ( 0.000 -5.892 -2.319) 6.332 6.776 ( 0.000 -1.174 0.832) 1.439 6.833 ( 0.000 -1.225 -7.818) 7.914 6.953 ( 0.000 -1.992 5.100) 5.475 7.009 ( 0.000 -3.706 -0.908) 3.815 7.065 ( 0.000 -6.155 0.014) 6.155 7.128 ( 0.000 -5.016 -5.563) 7.491 7.262 ( 0.000 -2.490 0.054) 2.491 7.284 ( 0.000 -2.202 -1.670) 2.764 7.422 ( 0.000 -4.897 6.256) 7.945 7.446 ( 0.000 -8.090 4.304) 9.163 7.492 ( 0.000 -1.910 3.877) 4.322 7.524 ( 0.000 -5.160 2.478) 5.724 7.589 ( 0.000 -7.417 -4.164) 8.506 7.592 ( 0.000 -3.196 -4.719) 5.700 7.727 ( 0.000 -4.873 -2.060) 5.291 7.738 ( 0.000 -2.111 -4.057) 4.573 7.799 ( 0.000 -2.325 -0.787) 2.455 7.816 ( 0.000 -0.990 -0.405) 1.069 7.993 ( 0.000 -6.318 0.457) 6.334 8.018 ( 0.000 -3.961 2.375) 4.619 8.072 ( 0.000 -7.195 -3.900) 8.184 8.123 ( 0.000 -7.011 -3.108) 7.669 8.268 ( 0.000 -3.495 1.206) 3.697 8.270 ( 0.000 -3.485 0.108) 3.487 8.369 ( 0.000 -7.232 -1.798) 7.452 8.378 ( 0.000 -5.409 -2.487) 5.954 8.529 ( 0.000 -1.771 2.603) 3.148 8.577 ( 0.000 1.752 -2.806) 3.308 8.654 ( 0.000 1.441 4.338) 4.571 8.741 ( 0.000 -1.546 1.102) 1.899 8.800 ( 0.000 -1.556 6.209) 6.401 8.802 ( 0.000 -2.206 -0.038) 2.206 8.926 ( 0.000 1.850 -5.720) 6.012 8.943 ( 0.000 -0.368 -6.788) 6.797 9.120 ( 0.000 -4.702 4.275) 6.354 9.153 ( 0.000 -3.220 0.383) 3.243 9.260 ( 0.000 2.350 3.367) 4.106 9.347 ( 0.000 2.473 -1.270) 2.780 9.519 ( 0.000 1.824 5.636) 5.924 9.554 ( 0.000 -2.713 2.127) 3.448 9.612 ( 0.000 -2.200 3.203) 3.886 9.680 ( 0.000 -0.213 -3.793) 3.799 9.842 ( 0.000 2.953 4.838) 5.668 9.873 ( 0.000 1.348 0.940) 1.643 10.041 ( 0.000 2.340 0.128) 2.344 10.045 ( 0.000 -0.464 -1.432) 1.505 10.462 ( 0.000 -0.170 5.652) 5.655 10.523 ( 0.000 1.083 1.423) 1.788 10.695 ( 0.000 1.070 -1.283) 1.671 10.742 ( 0.000 -1.339 -4.319) 4.522 10.853 ( 0.000 0.989 7.198) 7.265 10.978 ( 0.000 -9.142 -0.046) 9.143 11.048 ( 0.000 -0.807 1.897) 2.061 11.074 ( 0.000 -0.382 -4.954) 4.969 11.336 ( 0.000 -1.075 3.535) 3.695 11.427 ( 0.000 -4.401 1.052) 4.525 11.467 ( 0.000 0.349 -3.921) 3.937 11.554 ( 0.000 -7.767 -6.270) 9.982 11.804 ( 0.000 -3.215 -0.894) 3.337 11.817 ( 0.000 0.989 -2.756) 2.928 11.911 ( 0.000 -1.809 1.520) 2.363 11.969 ( 0.000 -1.487 -5.393) 5.594 12.246 ( 0.000 -10.229 -2.180) 10.459 12.248 ( 0.000 -8.440 -2.493) 8.800 12.448 ( 0.000 -1.403 5.340) 5.521 12.588 ( 0.000 -4.907 -9.008) 10.257 12.899 ( 0.000 -4.071 7.191) 8.263 12.922 ( 0.000 -2.365 4.105) 4.738 13.134 ( 0.000 -8.992 1.254) 9.079 13.158 ( 0.000 -9.416 -1.450) 9.527 13.351 ( 0.000 -2.412 4.958) 5.514 13.378 ( 0.000 -1.329 2.282) 2.640 13.510 ( 0.000 0.643 2.244) 2.334 13.551 ( 0.000 2.129 -1.867) 2.832 13.652 ( 0.000 -6.022 4.073) 7.270 13.730 ( 0.000 -4.550 -4.602) 6.472 13.920 ( 0.000 -4.944 3.857) 6.271 13.968 ( 0.000 -3.085 -1.127) 3.284 14.102 ( 0.000 -2.670 0.682) 2.756 14.140 ( 0.000 -8.453 -3.073) 8.995 14.236 ( 0.000 -1.460 0.870) 1.700 14.272 ( 0.000 -3.444 -2.151) 4.061 15.225 ( 0.000 -1.224 3.693) 3.891 15.301 ( 0.000 -1.673 -3.645) 4.010 15.375 ( 0.000 -1.088 -0.758) 1.326 15.381 ( 0.000 0.810 -1.670) 1.856 16.169 ( 0.000 -0.493 0.149) 0.515 16.181 ( 0.000 -1.950 -0.611) 2.043 16.295 ( 0.000 -1.894 -1.721) 2.560 16.300 ( 0.000 -1.392 -1.684) 2.184 16.969 ( 0.000 -3.387 5.749) 6.672 17.040 ( 0.000 -5.874 -2.605) 6.426 17.064 ( 0.000 -4.114 4.327) 5.970 17.166 ( 0.000 -4.022 -5.721) 6.993 17.630 ( 0.000 4.972 7.394) 8.910 17.725 ( 0.000 2.073 13.486) 13.645 17.753 ( 0.000 7.054 -4.971) 8.630 17.981 ( 0.000 4.592 -11.929) 12.782 18.266 ( 0.000 0.121 5.233) 5.235 18.374 ( 0.000 -0.633 7.125) 7.153 18.387 ( 0.000 -0.851 -9.345) 9.384 18.545 ( 0.000 -1.494 -10.135) 10.245 19.322 ( 0.000 12.709 1.262) 12.772 19.344 ( 0.000 12.609 -0.799) 12.634 19.521 ( 0.000 13.892 2.750) 14.161 19.559 ( 0.000 12.615 -0.947) 12.651 20.425 ( 0.000 5.909 1.982) 6.233 20.450 ( 0.000 4.632 -0.263) 4.639 20.614 ( 0.000 2.701 3.826) 4.683 20.678 ( 0.000 3.391 -2.802) 4.399 21.624 ( 0.000 0.423 2.577) 2.611 21.645 ( 0.000 0.377 0.814) 0.897 21.768 ( 0.000 -0.633 0.621) 0.887 21.803 ( 0.000 -2.182 -2.460) 3.288 22.315 ( 0.000 2.151 3.912) 4.464 22.383 ( 0.000 1.865 -3.230) 3.730 22.529 ( 0.000 -1.252 13.093) 13.152 22.614 ( 0.000 -6.005 10.945) 12.484 22.709 ( 0.000 -2.563 -4.175) 4.899 22.779 ( 0.000 -5.494 7.048) 8.937 22.802 ( 0.000 -2.226 -11.496) 11.709 22.953 ( 0.000 -5.013 -9.899) 11.096 23.268 ( 0.000 6.951 1.313) 7.074 23.284 ( 0.000 6.379 -0.202) 6.383 23.390 ( 0.000 7.905 0.717) 7.937 23.401 ( 0.000 9.021 -0.361) 9.028 23.635 ( 0.000 9.592 2.011) 9.800 23.663 ( 0.000 11.542 -0.755) 11.567 23.794 ( 0.000 3.378 0.387) 3.400 23.795 ( 0.000 3.712 0.391) 3.733 23.866 ( 0.000 7.283 0.576) 7.306 23.886 ( 0.000 9.572 -0.897) 9.613 23.970 ( 0.000 12.726 0.133) 12.727 24.007 ( 0.000 12.965 -3.177) 13.349 24.325 ( 0.000 -0.753 5.243) 5.297 24.371 ( 0.000 -1.748 1.045) 2.037 24.452 ( 0.000 -3.294 1.134) 3.483 24.487 ( 0.000 -2.970 -2.307) 3.760 24.724 ( 0.000 -2.176 3.419) 4.052 24.772 ( 0.000 -3.628 -0.314) 3.641 24.949 ( 0.000 -3.316 -1.513) 3.645 24.975 ( 0.000 -2.928 -3.395) 4.483 25.311 ( 0.000 1.571 3.820) 4.131 25.370 ( 0.000 0.827 -1.310) 1.549 25.531 ( 0.000 1.087 3.415) 3.584 25.703 ( 0.000 2.937 -14.126) 14.428 26.306 ( 0.000 -6.392 4.405) 7.763 26.393 ( 0.000 -7.315 -4.454) 8.564 26.603 ( 0.000 -10.970 6.526) 12.764 26.758 ( 0.000 -13.858 -9.430) 16.762 ======================= Grid point 73 (30/36) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 4.203 8.816 10.420) 14.282 2.107 ( 9.302 6.548 1.846) 11.524 2.234 ( 4.396 15.353 14.575) 21.621 2.309 ( -4.103 10.390 1.341) 11.251 2.367 ( 11.902 10.849 2.180) 16.252 2.468 ( 0.969 7.369 -0.566) 7.454 2.596 ( -3.751 10.597 0.579) 11.256 2.674 ( -1.819 6.466 -2.609) 7.206 2.740 ( -3.285 12.912 0.551) 13.334 2.865 ( -2.747 14.278 -3.181) 14.884 2.908 ( -1.378 13.264 -10.676) 17.082 2.985 ( -4.362 11.192 -8.541) 14.739 3.139 ( 2.455 8.714 3.922) 9.866 3.224 ( -7.684 4.229 -1.952) 8.986 3.270 ( -6.719 5.009 3.334) 9.020 3.347 ( -1.903 5.184 -5.409) 7.730 3.478 ( -2.997 9.173 5.442) 11.079 3.541 ( 3.860 10.777 0.552) 11.461 3.628 ( -4.061 5.424 4.156) 7.949 3.755 ( -1.346 8.531 -2.630) 9.028 3.812 ( 5.488 5.166 3.755) 8.420 3.925 ( 1.413 -3.046 2.581) 4.236 3.977 ( 1.439 4.833 -1.944) 5.404 4.059 ( 4.081 -3.145 0.457) 5.172 4.136 ( 1.673 -3.651 3.335) 5.221 4.220 ( 0.521 -0.500 1.639) 1.791 4.250 ( 1.742 -1.321 -2.106) 3.036 4.276 ( 1.391 -1.624 -4.494) 4.977 4.361 ( 1.381 2.076 1.961) 3.172 4.435 ( 1.986 -1.171 5.359) 5.834 4.506 ( -1.817 -0.399 -6.095) 6.372 4.573 ( 4.177 -1.076 -3.836) 5.772 4.605 ( 5.260 -1.171 3.458) 6.403 4.652 ( 2.698 2.237 0.725) 3.579 4.717 ( -3.411 -0.141 1.632) 3.784 4.780 ( 2.148 1.005 -0.463) 2.417 4.869 ( 1.964 -1.659 2.921) 3.891 4.977 ( -5.593 -1.686 3.088) 6.608 5.017 ( -4.343 -2.028 -1.548) 5.037 5.069 ( -3.733 -1.765 -0.745) 4.196 5.156 ( 2.004 -5.266 2.648) 6.226 5.208 ( 3.065 -3.711 -1.139) 4.946 5.251 ( -5.659 -1.724 1.723) 6.162 5.308 ( -2.310 -0.115 -3.302) 4.031 5.371 ( -0.988 -2.686 3.215) 4.304 5.408 ( -1.929 -2.012 4.679) 5.446 5.508 ( -3.369 -2.477 -4.156) 5.896 5.534 ( -4.216 0.302 -3.232) 5.321 5.687 ( 2.147 -2.107 2.343) 3.813 5.740 ( 2.140 -4.805 -2.837) 5.976 5.790 ( -2.585 -4.044 3.840) 6.147 5.822 ( -7.426 -2.798 0.985) 7.997 5.923 ( 0.585 -2.684 4.217) 5.033 5.979 ( -1.148 -4.278 2.139) 4.919 5.990 ( -1.542 -1.983 0.292) 2.528 6.029 ( -0.965 -2.212 -3.834) 4.530 6.138 ( 2.563 -0.529 1.491) 3.012 6.257 ( 1.228 -4.832 0.189) 4.990 6.295 ( 0.491 -4.501 -5.413) 7.057 6.340 ( 0.978 -3.578 -2.840) 4.671 6.427 ( 1.295 -2.619 2.113) 3.606 6.456 ( 8.246 -4.342 -0.929) 9.365 6.537 ( 0.722 -4.466 1.665) 4.821 6.573 ( 1.811 -4.484 -1.959) 5.217 6.610 ( 2.838 -2.853 0.943) 4.133 6.642 ( 0.931 -2.136 -2.416) 3.357 6.748 ( -0.108 0.824 -4.886) 4.956 6.816 ( -2.514 -1.202 -7.933) 8.408 6.937 ( -0.731 -3.615 4.069) 5.491 6.981 ( -3.686 -1.746 3.625) 5.457 7.049 ( 1.490 -6.126 -6.891) 9.340 7.100 ( -2.232 -4.791 -7.381) 9.078 7.317 ( 5.123 -5.324 6.032) 9.538 7.381 ( 3.332 -6.174 1.355) 7.145 7.411 ( 1.494 -6.489 1.432) 6.811 7.459 ( 0.437 -6.407 1.760) 6.659 7.479 ( -0.283 -4.688 1.037) 4.810 7.503 ( -2.400 -3.040 2.667) 4.702 7.550 ( -1.146 -3.524 -2.040) 4.230 7.601 ( -1.588 -1.793 -3.704) 4.410 7.721 ( 1.295 -2.454 3.655) 4.589 7.781 ( 2.214 -2.917 -1.655) 4.019 7.812 ( -0.733 -3.885 -0.583) 3.996 7.857 ( 1.397 -4.172 -5.177) 6.794 7.950 ( -0.152 -8.085 4.656) 9.331 8.005 ( 0.079 -6.995 0.927) 7.057 8.088 ( 0.113 -8.165 -4.626) 9.386 8.130 ( -2.740 -7.672 -6.280) 10.286 8.280 ( 1.111 -6.361 2.057) 6.777 8.305 ( 2.519 -2.647 3.357) 4.962 8.360 ( 0.096 -3.864 -3.696) 5.348 8.373 ( 2.569 -2.171 -2.287) 4.067 8.507 ( -2.283 0.241 1.200) 2.590 8.559 ( -0.632 0.424 -4.139) 4.209 8.615 ( -3.809 -0.273 4.102) 5.604 8.717 ( -2.143 0.720 -4.321) 4.877 8.810 ( 4.128 -2.368 7.671) 9.028 8.879 ( 0.821 1.671 4.291) 4.678 8.928 ( 3.511 2.074 -1.857) 4.481 8.986 ( 0.211 1.348 -3.817) 4.053 9.089 ( -3.194 -2.909 3.193) 5.371 9.165 ( 1.405 -2.390 2.972) 4.064 9.215 ( -0.048 0.387 -2.956) 2.982 9.311 ( -4.877 2.752 -6.187) 8.345 9.494 ( -0.321 0.988 9.968) 10.022 9.573 ( 0.526 -3.928 5.043) 6.414 9.613 ( 0.170 -3.022 2.159) 3.718 9.664 ( -1.227 0.636 -5.561) 5.730 9.849 ( 1.715 0.879 7.660) 7.899 9.928 ( 1.224 2.710 4.212) 5.156 10.003 ( -0.206 -0.762 -2.217) 2.353 10.058 ( -0.707 2.076 -4.065) 4.619 10.511 ( 3.977 -1.455 5.894) 7.258 10.563 ( 3.192 -1.528 1.949) 4.040 10.645 ( -3.973 -0.891 3.464) 5.346 10.721 ( -2.214 -1.138 -2.980) 3.883 10.821 ( -0.752 3.251 3.723) 5.000 10.870 ( -5.160 0.252 1.766) 5.460 11.000 ( -2.406 -2.193 -6.955) 7.679 11.042 ( -5.740 -0.871 -9.021) 10.727 11.314 ( 2.844 -3.499 8.512) 9.632 11.426 ( -0.276 -5.532 5.664) 7.922 11.545 ( 1.970 -3.289 -7.266) 8.216 11.581 ( 0.091 -3.215 -9.535) 10.063 11.789 ( 2.468 -2.067 1.999) 3.790 11.848 ( 1.417 -0.371 -1.113) 1.840 11.905 ( -1.727 -0.298 -1.589) 2.365 11.963 ( -0.681 -1.237 -5.989) 6.154 12.274 ( 4.574 -11.133 4.346) 12.797 12.370 ( 8.018 -7.974 -3.144) 11.737 12.472 ( -0.775 -5.373 1.169) 5.553 12.544 ( -5.837 -7.594 -4.573) 10.614 12.894 ( 3.779 -2.459 4.024) 6.043 12.943 ( 3.734 -3.706 0.778) 5.318 13.094 ( -7.780 -5.420 2.553) 9.819 13.152 ( -2.273 -5.784 -1.761) 6.459 13.327 ( 3.932 -3.053 8.380) 9.747 13.404 ( 0.650 -1.890 2.179) 2.957 13.483 ( -2.868 -0.420 -0.170) 2.904 13.512 ( -2.616 -1.039 -2.406) 3.703 13.724 ( 5.454 -4.086 4.179) 7.994 13.802 ( 4.434 -3.686 -3.830) 6.922 13.882 ( -3.353 -5.375 4.233) 7.619 13.951 ( -1.357 -3.751 -1.886) 4.412 14.080 ( -1.303 -4.327 2.240) 5.044 14.155 ( 0.793 -6.525 -4.726) 8.096 14.212 ( -1.271 -2.008 3.533) 4.258 14.283 ( 0.446 -3.339 -3.572) 4.910 15.244 ( 1.697 -0.959 3.478) 3.987 15.309 ( -0.837 -1.598 0.969) 2.048 15.336 ( -0.729 -0.168 -3.197) 3.283 15.388 ( -0.404 -0.783 -4.360) 4.448 16.178 ( 0.640 -0.897 0.759) 1.338 16.207 ( 2.095 -1.499 -1.580) 3.022 16.259 ( -2.265 -1.336 0.236) 2.641 16.302 ( -0.373 -2.139 -3.467) 4.091 16.994 ( 1.969 -4.014 6.201) 7.644 17.024 ( -0.911 -5.053 3.983) 6.499 17.084 ( 1.251 -4.108 -1.723) 4.627 17.130 ( -2.847 -3.694 -4.377) 6.396 17.669 ( 2.945 4.617 6.265) 8.321 17.712 ( -1.234 3.366 9.818) 10.452 17.779 ( 2.828 5.984 -4.111) 7.791 17.896 ( -6.218 4.395 -8.049) 11.080 18.310 ( 2.833 0.425 4.075) 4.981 18.356 ( -1.514 -0.306 6.434) 6.617 18.423 ( 2.622 -1.515 -8.787) 9.295 18.523 ( -1.813 -1.434 -10.327) 10.582 19.327 ( 0.362 13.036 1.581) 13.136 19.356 ( 0.783 13.172 -1.388) 13.268 19.503 ( -1.170 13.472 3.325) 13.925 19.548 ( -0.726 12.555 -1.173) 12.630 20.456 ( 3.230 5.289 4.125) 7.445 20.503 ( 3.407 4.864 0.948) 6.014 20.566 ( -2.900 3.568 1.327) 4.786 20.627 ( -4.629 3.577 -3.301) 6.717 21.644 ( 1.870 0.390 3.101) 3.642 21.665 ( 1.345 0.233 2.220) 2.606 21.728 ( -2.449 -0.149 -0.802) 2.582 21.760 ( -3.128 -0.830 -2.660) 4.189 22.399 ( 6.338 0.460 3.404) 7.209 22.443 ( 4.905 0.939 0.109) 4.995 22.515 ( -1.465 -0.393 9.300) 9.423 22.582 ( -4.556 -2.141 1.789) 5.343 22.679 ( -3.280 -4.614 9.837) 11.350 22.714 ( -0.026 -4.653 1.819) 4.996 22.858 ( 2.077 -4.128 -9.682) 10.728 22.907 ( -3.269 -4.114 -10.543) 11.780 23.301 ( 2.982 6.550 2.061) 7.486 23.330 ( 3.113 6.638 -0.658) 7.361 23.366 ( -2.018 7.186 0.981) 7.528 23.389 ( -1.589 7.853 -1.166) 8.096 23.657 ( 2.318 9.663 2.176) 10.172 23.681 ( 1.840 10.609 0.125) 10.768 23.742 ( -3.914 6.630 0.420) 7.711 23.762 ( -3.415 6.798 -1.206) 7.703 23.868 ( 1.268 7.032 1.974) 7.413 23.912 ( 1.952 9.124 -0.551) 9.347 23.954 ( -1.638 10.509 -0.906) 10.674 23.995 ( -1.100 12.454 -3.222) 12.911 24.352 ( 2.358 -1.126 5.224) 5.841 24.385 ( 0.276 -2.091 3.385) 3.989 24.434 ( -0.735 -2.054 -0.920) 2.368 24.481 ( -0.880 -2.905 -3.251) 4.448 24.762 ( 2.802 -3.208 4.653) 6.308 24.800 ( 2.111 -3.017 2.707) 4.571 24.915 ( -2.383 -3.611 -4.223) 6.046 24.935 ( -3.025 -2.880 -4.617) 6.225 25.347 ( 3.243 1.537 4.910) 6.082 25.404 ( 1.073 1.520 3.155) 3.663 25.489 ( -0.738 1.957 -3.421) 4.010 25.594 ( -7.955 3.278 -10.239) 13.374 26.399 ( 7.536 -8.058 5.705) 12.420 26.517 ( 5.498 -10.324 -2.297) 11.920 26.554 ( -1.154 -10.142 1.041) 10.260 26.698 ( -5.935 -13.086 -9.500) 17.225 ======================= Grid point 75 (31/36) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.000 8.199 3.707) 8.998 2.210 ( 0.000 5.347 -2.892) 6.079 2.344 ( 0.000 9.188 3.097) 9.696 2.370 ( 0.000 0.223 -3.990) 3.996 2.543 ( 0.000 4.158 -0.130) 4.160 2.600 ( 0.000 12.704 -0.678) 12.722 2.752 ( 0.000 7.118 6.910) 9.920 2.817 ( 0.000 15.232 3.334) 15.592 3.044 ( 0.000 5.591 1.487) 5.785 3.066 ( 0.000 -2.372 7.364) 7.736 3.128 ( 0.000 -9.934 9.321) 13.622 3.158 ( 0.000 -2.108 -3.350) 3.958 3.204 ( 0.000 13.710 -5.342) 14.714 3.379 ( 0.000 2.796 -2.794) 3.952 3.428 ( 0.000 5.682 1.095) 5.786 3.501 ( 0.000 3.332 -1.174) 3.533 3.605 ( 0.000 6.135 -0.219) 6.139 3.622 ( 0.000 -0.176 1.864) 1.872 3.754 ( 0.000 3.923 0.858) 4.016 3.804 ( 0.000 1.513 4.851) 5.081 3.883 ( 0.000 1.976 -0.573) 2.057 3.884 ( 0.000 6.643 0.516) 6.663 4.024 ( 0.000 1.551 -7.752) 7.905 4.085 ( 0.000 1.044 -4.296) 4.421 4.131 ( 0.000 3.484 -2.917) 4.544 4.159 ( 0.000 6.285 2.668) 6.828 4.279 ( 0.000 4.542 0.731) 4.600 4.335 ( 0.000 1.518 2.476) 2.904 4.381 ( 0.000 -0.208 0.362) 0.417 4.411 ( 0.000 -3.262 4.190) 5.310 4.443 ( 0.000 -0.563 -0.559) 0.793 4.456 ( 0.000 1.092 2.326) 2.570 4.528 ( 0.000 2.773 -0.286) 2.788 4.614 ( 0.000 2.263 -7.905) 8.222 4.691 ( 0.000 -3.510 5.040) 6.142 4.837 ( 0.000 1.718 -6.067) 6.305 4.839 ( 0.000 -3.764 0.249) 3.773 4.891 ( 0.000 -10.077 -4.611) 11.082 5.030 ( 0.000 0.642 4.762) 4.805 5.037 ( 0.000 -7.295 -0.197) 7.298 5.102 ( 0.000 1.471 11.845) 11.936 5.228 ( 0.000 3.757 -2.705) 4.630 5.266 ( 0.000 -3.101 0.599) 3.158 5.305 ( 0.000 1.200 -2.893) 3.132 5.360 ( 0.000 -2.092 3.019) 3.673 5.461 ( 0.000 -1.978 6.066) 6.380 5.481 ( 0.000 -3.612 -3.421) 4.975 5.532 ( 0.000 -1.757 -2.694) 3.217 5.654 ( 0.000 -9.306 10.974) 14.388 5.711 ( 0.000 2.900 5.264) 6.010 5.714 ( 0.000 -3.223 1.021) 3.381 5.803 ( 0.000 -1.901 1.632) 2.505 5.898 ( 0.000 2.679 -4.734) 5.440 5.920 ( 0.000 -2.212 -5.710) 6.123 6.017 ( 0.000 -4.258 2.239) 4.811 6.018 ( 0.000 -3.432 1.397) 3.706 6.123 ( 0.000 -6.234 1.430) 6.396 6.134 ( 0.000 -1.062 -3.106) 3.282 6.196 ( 0.000 0.325 -6.457) 6.465 6.238 ( 0.000 -4.952 -6.679) 8.314 6.295 ( 0.000 -0.117 -0.119) 0.167 6.345 ( 0.000 -6.014 -5.444) 8.112 6.459 ( 0.000 3.049 -1.221) 3.285 6.494 ( 0.000 -0.963 -6.004) 6.081 6.551 ( 0.000 -0.327 2.111) 2.136 6.561 ( 0.000 -1.166 -0.161) 1.177 6.772 ( 0.000 -0.526 4.921) 4.949 6.877 ( 0.000 -11.598 3.837) 12.216 6.883 ( 0.000 -3.875 -2.285) 4.499 6.898 ( 0.000 -1.124 -1.820) 2.140 6.943 ( 0.000 -3.220 0.975) 3.364 6.986 ( 0.000 -4.932 -2.092) 5.357 7.156 ( 0.000 -3.951 -0.062) 3.951 7.172 ( 0.000 -6.283 -1.041) 6.369 7.301 ( 0.000 -2.681 2.723) 3.821 7.332 ( 0.000 -4.300 1.670) 4.613 7.433 ( 0.000 -4.123 -1.558) 4.408 7.447 ( 0.000 -5.117 -1.679) 5.385 7.547 ( 0.000 0.927 1.447) 1.718 7.563 ( 0.000 -1.334 0.486) 1.420 7.649 ( 0.000 -2.787 2.751) 3.916 7.702 ( 0.000 -1.718 -2.092) 2.707 7.729 ( 0.000 -4.050 -2.447) 4.731 7.773 ( 0.000 -4.562 -5.552) 7.186 7.865 ( 0.000 -5.319 1.766) 5.605 7.873 ( 0.000 -4.264 3.983) 5.835 8.028 ( 0.000 -0.396 -1.001) 1.077 8.081 ( 0.000 2.666 -4.427) 5.168 8.170 ( 0.000 -4.040 4.385) 5.963 8.212 ( 0.000 0.480 2.035) 2.091 8.298 ( 0.000 -1.583 -2.518) 2.975 8.348 ( 0.000 0.831 -4.463) 4.540 8.533 ( 0.000 0.951 4.201) 4.307 8.620 ( 0.000 0.896 -4.144) 4.239 8.641 ( 0.000 -2.150 2.323) 3.166 8.656 ( 0.000 -3.950 1.253) 4.144 8.827 ( 0.000 2.452 -3.133) 3.978 8.834 ( 0.000 4.000 4.206) 5.804 8.929 ( 0.000 0.352 -4.685) 4.698 8.983 ( 0.000 4.965 -2.819) 5.710 9.079 ( 0.000 0.302 5.557) 5.566 9.120 ( 0.000 -0.832 0.645) 1.053 9.302 ( 0.000 1.759 4.724) 5.040 9.370 ( 0.000 0.249 0.905) 0.939 9.475 ( 0.000 -4.688 0.333) 4.700 9.481 ( 0.000 -5.013 3.593) 6.167 9.619 ( 0.000 2.204 -5.477) 5.904 9.657 ( 0.000 -1.914 -5.160) 5.504 9.874 ( 0.000 -0.430 4.194) 4.216 9.889 ( 0.000 -0.258 2.888) 2.899 10.031 ( 0.000 -0.280 3.191) 3.204 10.062 ( 0.000 -0.319 -1.660) 1.690 10.448 ( 0.000 -1.453 7.747) 7.882 10.526 ( 0.000 -2.992 4.017) 5.008 10.587 ( 0.000 -12.331 7.235) 14.297 10.628 ( 0.000 -6.473 2.500) 6.939 10.862 ( 0.000 -2.720 -3.563) 4.483 10.912 ( 0.000 3.379 -8.206) 8.874 10.994 ( 0.000 -7.595 -3.513) 8.368 11.019 ( 0.000 -3.856 -2.765) 4.745 11.266 ( 0.000 -7.606 9.437) 12.121 11.375 ( 0.000 -1.151 1.512) 1.900 11.419 ( 0.000 -2.458 -3.333) 4.142 11.468 ( 0.000 -1.076 -5.824) 5.922 11.716 ( 0.000 -5.352 2.416) 5.872 11.816 ( 0.000 -1.668 -7.210) 7.400 11.819 ( 0.000 -6.112 -1.084) 6.207 11.895 ( 0.000 -6.561 -8.883) 11.043 12.091 ( 0.000 -4.689 -1.381) 4.888 12.129 ( 0.000 -2.327 -4.164) 4.770 12.414 ( 0.000 -1.886 -0.692) 2.009 12.445 ( 0.000 -8.688 -4.443) 9.759 12.856 ( 0.000 -1.113 5.349) 5.464 12.880 ( 0.000 -2.029 2.477) 3.202 12.977 ( 0.000 -6.014 1.676) 6.243 12.986 ( 0.000 -6.857 0.556) 6.879 13.281 ( 0.000 -4.263 5.748) 7.156 13.335 ( 0.000 -2.923 0.684) 3.002 13.499 ( 0.000 -7.023 4.167) 8.166 13.528 ( 0.000 -1.108 1.265) 1.682 13.628 ( 0.000 3.039 0.228) 3.048 13.663 ( 0.000 -0.351 -3.876) 3.892 13.866 ( 0.000 0.143 2.531) 2.535 13.900 ( 0.000 -2.967 -1.058) 3.150 14.038 ( 0.000 -2.209 2.322) 3.205 14.085 ( 0.000 0.175 -1.931) 1.939 14.205 ( 0.000 -3.460 0.078) 3.461 14.209 ( 0.000 -1.424 -1.389) 1.989 15.222 ( 0.000 0.724 4.837) 4.891 15.285 ( 0.000 -0.157 -2.173) 2.178 15.357 ( 0.000 -0.956 0.290) 0.999 15.405 ( 0.000 1.472 -4.021) 4.282 16.162 ( 0.000 -0.101 0.289) 0.306 16.173 ( 0.000 0.761 -0.944) 1.212 16.260 ( 0.000 -1.565 -1.334) 2.056 16.277 ( 0.000 -0.941 -2.682) 2.842 16.928 ( 0.000 -1.024 4.384) 4.502 16.949 ( 0.000 -3.368 0.127) 3.371 17.004 ( 0.000 -2.238 3.551) 4.197 17.108 ( 0.000 -2.142 -5.634) 6.028 17.714 ( 0.000 2.987 9.977) 10.414 17.746 ( 0.000 0.370 14.373) 14.378 17.884 ( 0.000 5.555 -7.193) 9.089 18.050 ( 0.000 2.194 -16.184) 16.332 18.295 ( 0.000 2.629 5.753) 6.325 18.381 ( 0.000 1.306 5.146) 5.309 18.405 ( 0.000 2.725 -7.234) 7.730 18.519 ( 0.000 -0.836 -8.937) 8.976 19.556 ( 0.000 10.759 1.022) 10.807 19.563 ( 0.000 9.491 0.674) 9.515 19.759 ( 0.000 10.185 1.026) 10.237 19.762 ( 0.000 8.053 0.902) 8.103 20.512 ( 0.000 2.833 0.440) 2.867 20.513 ( 0.000 1.554 0.458) 1.620 20.655 ( 0.000 1.638 3.885) 4.217 20.714 ( 0.000 0.322 -2.315) 2.337 21.637 ( 0.000 0.843 2.342) 2.489 21.660 ( 0.000 1.024 0.203) 1.044 21.751 ( 0.000 -0.902 -0.218) 0.928 21.762 ( 0.000 -1.750 -1.055) 2.043 22.352 ( 0.000 1.565 3.769) 4.081 22.417 ( 0.000 1.580 -3.162) 3.535 22.506 ( 0.000 -1.266 12.552) 12.615 22.529 ( 0.000 -2.699 11.716) 12.023 22.664 ( 0.000 -1.815 -4.253) 4.624 22.687 ( 0.000 -3.796 6.052) 7.144 22.767 ( 0.000 -1.374 -13.284) 13.355 22.864 ( 0.000 -3.972 -11.541) 12.205 23.373 ( 0.000 3.640 0.729) 3.712 23.374 ( 0.000 2.786 0.796) 2.897 23.515 ( 0.000 4.190 2.005) 4.645 23.544 ( 0.000 4.852 -1.069) 4.968 23.753 ( 0.000 3.907 3.211) 5.057 23.801 ( 0.000 4.137 -1.765) 4.497 23.889 ( 0.000 5.726 1.420) 5.899 23.919 ( 0.000 6.880 -1.478) 7.037 24.030 ( 0.000 6.549 1.407) 6.698 24.051 ( 0.000 5.282 -0.893) 5.357 24.175 ( 0.000 6.103 -0.202) 6.107 24.179 ( 0.000 3.720 -0.806) 3.807 24.346 ( 0.000 -1.257 2.895) 3.156 24.361 ( 0.000 2.677 1.760) 3.204 24.433 ( 0.000 5.494 3.811) 6.687 24.512 ( 0.000 7.235 -3.981) 8.258 24.729 ( 0.000 -0.298 0.418) 0.513 24.739 ( 0.000 3.636 -1.011) 3.774 24.881 ( 0.000 -2.767 -0.156) 2.771 24.914 ( 0.000 -2.196 -2.883) 3.624 25.360 ( 0.000 3.040 3.349) 4.523 25.406 ( 0.000 2.440 0.176) 2.446 25.545 ( 0.000 0.342 4.230) 4.244 25.720 ( 0.000 -0.755 -12.342) 12.365 26.171 ( 0.000 -7.129 3.453) 7.921 26.239 ( 0.000 -8.027 -3.461) 8.741 26.381 ( 0.000 -11.124 4.168) 11.879 26.486 ( 0.000 -13.196 -6.604) 14.756 ======================= Grid point 76 (32/36) ======================= q-point: ( 0.33 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -1.361 2.884 4.938) 5.879 2.212 ( 3.968 3.926 -2.258) 6.022 2.333 ( -5.284 -2.621 1.222) 6.023 2.465 ( -0.733 -1.221 -9.447) 9.553 2.575 ( 7.119 10.645 6.582) 14.399 2.638 ( 6.024 13.178 1.291) 14.547 2.774 ( 0.018 4.243 4.167) 5.947 2.810 ( -3.378 11.239 3.152) 12.152 3.002 ( 2.108 10.353 7.365) 12.879 3.038 ( 1.592 3.446 2.988) 4.831 3.153 ( 1.751 7.608 -1.531) 7.956 3.209 ( 2.670 8.453 -4.098) 9.766 3.268 ( -1.830 5.797 5.592) 8.260 3.326 ( -8.556 4.638 1.770) 9.892 3.355 ( -2.991 6.075 -1.545) 6.946 3.453 ( 0.675 4.501 -7.608) 8.865 3.540 ( -0.569 0.377 3.975) 4.034 3.620 ( -5.247 1.055 2.951) 6.112 3.672 ( -1.187 -0.403 -4.462) 4.634 3.736 ( -3.236 -1.362 -2.624) 4.384 3.887 ( 0.180 1.115 3.244) 3.435 3.977 ( 2.177 2.912 2.638) 4.492 4.006 ( -1.130 -0.222 -4.518) 4.663 4.111 ( 1.604 3.658 -2.059) 4.494 4.154 ( 1.745 0.157 5.904) 6.159 4.200 ( -0.789 -1.062 0.649) 1.473 4.272 ( 3.218 2.818 -1.628) 4.577 4.312 ( -0.575 1.584 -4.137) 4.467 4.379 ( 1.468 3.068 0.330) 3.417 4.429 ( 2.256 2.935 -0.564) 3.744 4.474 ( 0.153 -2.429 2.889) 3.778 4.540 ( 1.350 0.569 2.737) 3.104 4.587 ( 8.554 -0.320 -1.305) 8.659 4.685 ( 5.066 1.810 -3.076) 6.197 4.750 ( 3.893 -0.003 0.485) 3.923 4.830 ( 0.212 -0.705 -3.350) 3.430 4.859 ( -2.090 -1.459 2.650) 3.677 4.910 ( -3.037 -2.034 0.385) 3.675 4.933 ( -4.633 -5.188 2.516) 7.396 4.997 ( -0.795 -5.237 0.152) 5.299 5.109 ( 0.263 1.435 5.230) 5.429 5.179 ( -0.869 2.462 -5.098) 5.728 5.264 ( -0.368 0.459 1.833) 1.925 5.301 ( -2.391 -0.879 1.794) 3.116 5.320 ( -3.823 -0.588 4.436) 5.886 5.387 ( -3.583 -0.868 3.518) 5.096 5.449 ( -0.950 -5.716 -1.640) 6.022 5.465 ( -2.999 -3.037 -0.298) 4.279 5.645 ( 0.165 -2.413 7.112) 7.512 5.684 ( -1.212 -2.020 2.270) 3.272 5.769 ( -3.268 -2.561 -0.931) 4.255 5.794 ( -1.206 -4.682 -2.847) 5.611 5.839 ( 0.222 -1.704 -0.623) 1.828 5.911 ( 2.316 1.524 -4.754) 5.503 5.962 ( -0.940 -2.674 1.804) 3.360 6.013 ( -1.185 1.409 -2.561) 3.153 6.135 ( -0.593 -1.201 -1.164) 1.775 6.163 ( -1.145 -3.097 -0.068) 3.302 6.188 ( 1.311 -5.260 -3.690) 6.558 6.266 ( 0.025 -5.480 -6.442) 8.457 6.376 ( 5.681 -1.589 1.748) 6.152 6.431 ( 5.162 -2.121 -3.340) 6.504 6.470 ( 1.765 1.107 0.049) 2.084 6.484 ( 0.125 -0.825 0.156) 0.849 6.583 ( 2.655 -1.650 0.499) 3.166 6.619 ( 3.940 -1.327 -0.272) 4.166 6.715 ( -5.264 -3.494 2.043) 6.640 6.779 ( -6.655 -5.200 -1.768) 8.629 6.887 ( 1.563 -3.498 1.754) 4.213 6.921 ( 0.485 -2.525 -1.738) 3.103 6.946 ( -0.854 -5.449 -1.192) 5.643 6.990 ( -0.079 -5.079 -4.064) 6.505 7.188 ( 3.543 -4.642 4.865) 7.601 7.236 ( 2.340 -6.103 3.974) 7.650 7.284 ( 0.693 -3.273 0.696) 3.417 7.373 ( 2.805 -3.470 -2.626) 5.178 7.401 ( -0.418 -2.393 0.339) 2.453 7.467 ( -0.092 -3.473 -3.100) 4.656 7.494 ( -3.994 -1.583 3.068) 5.279 7.559 ( -1.066 -2.697 -2.511) 3.836 7.673 ( 1.489 -3.752 4.320) 5.912 7.708 ( 0.429 -4.078 -0.951) 4.210 7.738 ( -0.529 -3.125 -1.900) 3.696 7.771 ( -1.943 -3.824 -2.725) 5.082 7.848 ( 4.762 -1.867 -0.142) 5.117 7.885 ( -0.496 -3.835 -1.942) 4.328 7.977 ( -3.710 -1.504 -1.913) 4.436 8.020 ( -5.885 -2.146 -4.593) 7.768 8.184 ( -0.594 -1.175 2.680) 2.986 8.250 ( 5.461 -2.160 -0.450) 5.890 8.320 ( 0.189 -0.449 -0.620) 0.789 8.346 ( 3.371 -1.192 -0.906) 3.688 8.494 ( -5.915 -1.271 0.997) 6.132 8.543 ( -4.916 -1.551 -3.262) 6.100 8.663 ( 2.839 3.228 3.647) 5.637 8.707 ( 2.348 -0.905 3.689) 4.465 8.844 ( 3.007 4.182 -0.409) 5.167 8.908 ( 3.280 1.529 5.220) 6.351 8.955 ( 1.286 -2.881 -6.755) 7.455 9.017 ( 0.866 2.822 -1.421) 3.276 9.076 ( 0.224 3.510 6.582) 7.463 9.158 ( 3.422 0.727 1.558) 3.829 9.235 ( -2.084 1.549 -0.548) 2.653 9.343 ( -5.498 -0.129 -6.484) 8.502 9.458 ( 1.941 -3.285 7.539) 8.450 9.517 ( -0.592 -1.101 5.706) 5.842 9.592 ( -1.074 0.558 -2.900) 3.142 9.662 ( 0.489 -0.751 -5.655) 5.725 9.835 ( -0.763 -2.168 7.122) 7.484 9.948 ( 0.385 -2.034 0.306) 2.092 9.975 ( -0.805 -0.682 1.882) 2.157 10.068 ( -1.045 -0.941 -4.959) 5.155 10.462 ( 1.805 -3.563 8.889) 9.745 10.518 ( -0.830 -5.569 7.813) 9.630 10.566 ( 0.006 -3.822 3.755) 5.358 10.631 ( -1.586 -8.737 3.407) 9.511 10.826 ( -0.780 -2.267 -2.074) 3.170 10.899 ( -3.804 -1.254 -2.176) 4.558 10.957 ( -0.217 -3.399 -8.506) 9.163 10.987 ( -2.962 -3.301 -7.763) 8.941 11.267 ( 4.506 -1.568 7.378) 8.786 11.349 ( -2.380 -1.443 1.912) 3.377 11.452 ( 1.875 -4.727 -5.394) 7.413 11.499 ( -3.136 -4.605 -9.629) 11.125 11.727 ( 4.794 -3.757 3.986) 7.279 11.814 ( 1.021 -4.910 0.292) 5.024 11.870 ( 0.008 -1.265 -4.067) 4.259 11.917 ( 0.255 -3.648 -7.455) 8.303 12.084 ( 2.027 -7.049 5.641) 9.253 12.220 ( 8.418 -6.409 -7.935) 13.225 12.349 ( -6.376 -7.197 -1.654) 9.756 12.388 ( -5.995 -6.886 -4.960) 10.390 12.852 ( 1.800 -1.615 3.950) 4.631 12.896 ( 3.666 -1.143 0.861) 3.935 13.001 ( -2.123 -3.870 3.051) 5.366 13.040 ( 1.781 -4.985 -0.093) 5.295 13.251 ( 0.871 -4.072 9.515) 10.386 13.357 ( 1.285 -3.211 1.289) 3.691 13.427 ( -2.903 -5.217 0.615) 6.002 13.481 ( -5.574 -2.621 -4.029) 7.361 13.686 ( 6.648 0.524 4.906) 8.279 13.759 ( 4.828 -0.339 -2.182) 5.309 13.822 ( -4.026 -0.249 2.673) 4.839 13.874 ( -2.314 -2.661 -1.844) 3.979 14.033 ( -0.612 -0.858 2.785) 2.978 14.096 ( 0.798 -0.510 -3.617) 3.739 14.172 ( -1.287 -2.268 2.913) 3.909 14.227 ( 0.343 -2.483 -2.887) 3.823 15.240 ( 1.509 0.371 4.506) 4.767 15.289 ( -0.366 -0.562 2.259) 2.357 15.344 ( -0.301 0.666 -3.519) 3.594 15.387 ( -1.362 0.631 -4.696) 4.930 16.172 ( 0.650 0.115 0.521) 0.841 16.195 ( 1.899 0.088 -1.407) 2.365 16.237 ( -1.841 -0.915 -0.636) 2.152 16.270 ( -0.603 -1.182 -3.365) 3.617 16.932 ( 0.235 -2.292 5.661) 6.111 16.955 ( 0.611 -2.121 5.516) 5.941 17.022 ( 1.416 -2.255 -2.229) 3.473 17.077 ( -2.409 -1.951 -4.627) 5.569 17.738 ( 1.752 2.064 9.091) 9.485 17.757 ( 0.533 1.333 10.868) 10.962 17.894 ( 1.465 5.047 -6.265) 8.177 17.973 ( -5.290 3.175 -9.626) 11.433 18.345 ( 2.694 2.621 2.360) 4.438 18.373 ( -0.674 1.997 3.497) 4.083 18.418 ( 1.309 1.226 -6.672) 6.909 18.499 ( -1.662 -0.740 -8.922) 9.106 19.568 ( 0.978 10.979 1.637) 11.143 19.589 ( 1.654 10.425 -0.606) 10.572 19.729 ( -1.851 9.357 2.181) 9.785 19.748 ( -1.161 7.912 0.565) 8.017 20.534 ( 2.642 2.564 2.530) 4.467 20.570 ( 4.296 1.638 -0.869) 4.679 20.617 ( -3.053 1.860 2.880) 4.591 20.667 ( -4.213 0.650 -2.171) 4.784 21.654 ( 1.385 0.631 2.456) 2.890 21.675 ( 1.178 0.688 1.315) 1.895 21.721 ( -2.159 -0.428 -0.628) 2.289 21.744 ( -1.342 -0.729 -1.836) 2.389 22.409 ( 4.290 0.600 4.060) 5.937 22.458 ( 2.859 0.614 2.253) 3.692 22.505 ( -0.091 -0.566 8.380) 8.400 22.538 ( 0.677 -1.919 5.598) 5.956 22.611 ( -4.887 -2.633 6.887) 8.845 22.647 ( -1.685 -2.385 -0.586) 2.978 22.791 ( 1.214 -2.597 -12.219) 12.551 22.834 ( -2.032 -3.355 -12.436) 13.040 23.400 ( 2.740 3.337 1.834) 4.691 23.423 ( 3.470 3.026 -0.581) 4.641 23.482 ( -2.811 3.904 2.169) 5.277 23.512 ( -2.774 3.980 -0.968) 4.947 23.782 ( 2.726 4.696 2.879) 6.146 23.823 ( 1.806 4.906 -0.696) 5.274 23.859 ( -2.486 5.421 0.979) 6.043 23.893 ( -2.671 6.017 -1.913) 6.856 24.024 ( 0.389 6.344 2.085) 6.689 24.070 ( 1.181 5.220 -2.350) 5.845 24.148 ( -1.906 5.349 1.549) 5.886 24.176 ( -0.287 3.811 -1.130) 3.985 24.367 ( 2.002 2.366 3.734) 4.853 24.404 ( 1.397 5.803 2.455) 6.454 24.428 ( 1.202 2.231 0.489) 2.581 24.490 ( -2.464 5.639 -3.572) 7.115 24.739 ( 0.907 1.226 2.009) 2.522 24.771 ( 2.683 0.792 0.775) 2.902 24.847 ( -2.769 -2.374 -2.031) 4.175 24.883 ( -2.174 -1.657 -3.605) 4.524 25.391 ( 2.772 2.630 4.881) 6.198 25.443 ( 1.085 2.236 4.406) 5.058 25.520 ( 0.640 1.147 -3.269) 3.523 25.629 ( -7.047 0.597 -9.563) 11.894 26.233 ( 5.157 -8.472 4.163) 10.756 26.314 ( 3.165 -9.884 -0.975) 10.424 26.348 ( -0.718 -10.470 -0.036) 10.494 26.443 ( -4.171 -12.359 -6.588) 14.613 ======================= Grid point 78 (33/36) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 0.000 3.657 4.446) 5.757 2.265 ( 0.000 -0.460 -1.457) 1.528 2.327 ( 0.000 -5.476 -6.468) 8.474 2.349 ( 0.000 0.144 -4.265) 4.267 2.711 ( 0.000 2.390 6.099) 6.550 2.785 ( 0.000 5.068 -2.923) 5.851 2.793 ( 0.000 -4.014 6.707) 7.816 2.911 ( 0.000 -10.366 -4.376) 11.252 2.942 ( 0.000 6.397 7.991) 10.236 3.090 ( 0.000 9.800 -4.417) 10.749 3.115 ( 0.000 2.038 11.084) 11.270 3.235 ( 0.000 9.511 3.464) 10.122 3.386 ( 0.000 2.486 -2.120) 3.267 3.387 ( 0.000 -2.017 -7.042) 7.325 3.518 ( 0.000 3.857 1.718) 4.223 3.529 ( 0.000 -0.963 2.877) 3.034 3.678 ( 0.000 2.858 5.454) 6.157 3.710 ( 0.000 5.128 -0.843) 5.197 3.847 ( 0.000 2.318 -0.134) 2.322 3.848 ( 0.000 -2.812 -3.405) 4.416 3.887 ( 0.000 4.734 4.850) 6.778 3.904 ( 0.000 3.087 2.287) 3.842 4.091 ( 0.000 -0.995 3.016) 3.176 4.096 ( 0.000 3.953 1.352) 4.178 4.193 ( 0.000 1.666 0.035) 1.666 4.201 ( 0.000 -0.869 0.481) 0.993 4.276 ( 0.000 -3.861 -1.195) 4.041 4.284 ( 0.000 -4.542 2.309) 5.095 4.345 ( 0.000 -1.097 -2.508) 2.737 4.398 ( 0.000 -0.279 -1.899) 1.919 4.450 ( 0.000 -3.592 4.165) 5.499 4.502 ( 0.000 -2.113 1.415) 2.543 4.587 ( 0.000 -1.679 3.556) 3.933 4.669 ( 0.000 1.551 -4.523) 4.782 4.678 ( 0.000 8.672 0.637) 8.696 4.781 ( 0.000 1.566 -7.346) 7.511 4.795 ( 0.000 3.295 -8.003) 8.654 4.865 ( 0.000 1.662 -11.076) 11.200 5.011 ( 0.000 0.350 13.372) 13.377 5.016 ( 0.000 5.827 2.246) 6.245 5.088 ( 0.000 -4.168 2.964) 5.114 5.153 ( 0.000 -8.092 -3.037) 8.644 5.209 ( 0.000 -3.512 3.708) 5.107 5.331 ( 0.000 -0.319 3.083) 3.099 5.369 ( 0.000 -4.778 -0.473) 4.801 5.406 ( 0.000 3.956 -5.227) 6.555 5.439 ( 0.000 -4.948 8.331) 9.690 5.511 ( 0.000 -2.087 -2.174) 3.014 5.574 ( 0.000 4.095 4.333) 5.962 5.642 ( 0.000 0.979 -1.412) 1.718 5.764 ( 0.000 -2.179 0.665) 2.279 5.773 ( 0.000 -0.346 3.903) 3.919 5.869 ( 0.000 -3.003 -0.006) 3.003 5.904 ( 0.000 -7.482 1.356) 7.604 5.949 ( 0.000 -3.798 0.928) 3.910 5.986 ( 0.000 -0.611 -0.510) 0.796 6.020 ( 0.000 -1.416 -4.655) 4.866 6.077 ( 0.000 -3.834 -3.581) 5.246 6.166 ( 0.000 -1.454 -6.162) 6.331 6.203 ( 0.000 -3.859 -6.148) 7.259 6.255 ( 0.000 -0.563 0.057) 0.566 6.283 ( 0.000 0.157 -1.811) 1.818 6.437 ( 0.000 -4.587 -0.183) 4.591 6.457 ( 0.000 -3.156 -3.257) 4.535 6.558 ( 0.000 -2.251 -0.638) 2.340 6.579 ( 0.000 -0.507 -2.617) 2.665 6.689 ( 0.000 -5.011 5.235) 7.247 6.697 ( 0.000 -5.065 1.625) 5.320 6.754 ( 0.000 3.857 4.334) 5.802 6.863 ( 0.000 1.058 -4.893) 5.006 6.943 ( 0.000 0.326 2.969) 2.987 6.985 ( 0.000 -1.561 -1.533) 2.188 7.153 ( 0.000 3.498 6.181) 7.102 7.162 ( 0.000 1.671 3.058) 3.485 7.305 ( 0.000 0.203 -1.554) 1.568 7.308 ( 0.000 -1.335 -2.660) 2.976 7.343 ( 0.000 -1.336 -1.789) 2.232 7.359 ( 0.000 -1.293 -0.979) 1.622 7.485 ( 0.000 -5.730 0.498) 5.751 7.487 ( 0.000 -5.827 2.552) 6.361 7.645 ( 0.000 0.591 -0.610) 0.850 7.648 ( 0.000 -3.944 -6.558) 7.652 7.669 ( 0.000 -3.605 -4.007) 5.390 7.698 ( 0.000 -0.034 -2.321) 2.321 7.841 ( 0.000 3.367 5.618) 6.550 7.912 ( 0.000 4.878 0.489) 4.903 8.033 ( 0.000 0.817 3.165) 3.269 8.092 ( 0.000 -1.964 0.724) 2.093 8.218 ( 0.000 7.140 1.166) 7.234 8.271 ( 0.000 2.794 3.380) 4.386 8.296 ( 0.000 3.165 -1.891) 3.687 8.366 ( 0.000 0.750 -0.013) 0.750 8.510 ( 0.000 -2.786 1.361) 3.100 8.564 ( 0.000 -2.987 -1.729) 3.451 8.628 ( 0.000 -2.459 -5.192) 5.745 8.645 ( 0.000 0.472 -5.896) 5.915 8.875 ( 0.000 3.220 3.485) 4.745 8.919 ( 0.000 6.910 -1.252) 7.022 9.020 ( 0.000 4.519 4.270) 6.217 9.073 ( 0.000 0.640 0.914) 1.116 9.122 ( 0.000 5.461 3.978) 6.757 9.148 ( 0.000 6.418 1.896) 6.693 9.341 ( 0.000 1.602 2.719) 3.156 9.347 ( 0.000 -4.125 0.833) 4.209 9.385 ( 0.000 -2.779 -0.456) 2.816 9.398 ( 0.000 -0.399 0.341) 0.525 9.626 ( 0.000 -0.960 -3.920) 4.036 9.657 ( 0.000 -0.050 -7.956) 7.956 9.815 ( 0.000 -4.657 4.032) 6.160 9.835 ( 0.000 -5.653 2.967) 6.384 10.012 ( 0.000 -2.873 0.908) 3.013 10.022 ( 0.000 -4.325 -5.304) 6.844 10.334 ( 0.000 -8.717 10.504) 13.650 10.343 ( 0.000 -9.694 7.178) 12.062 10.406 ( 0.000 -5.078 11.171) 12.271 10.603 ( 0.000 -0.930 0.799) 1.226 10.693 ( 0.000 -10.330 3.287) 10.841 10.861 ( 0.000 -7.488 -5.494) 9.287 10.954 ( 0.000 1.785 -7.275) 7.491 10.970 ( 0.000 1.858 -17.514) 17.612 11.172 ( 0.000 -1.536 12.509) 12.603 11.332 ( 0.000 -2.752 3.393) 4.369 11.385 ( 0.000 -3.423 -2.763) 4.399 11.413 ( 0.000 -4.722 -9.961) 11.024 11.622 ( 0.000 -2.515 3.664) 4.445 11.735 ( 0.000 -3.156 -4.956) 5.876 11.782 ( 0.000 1.793 -4.033) 4.413 11.811 ( 0.000 -2.679 -10.194) 10.541 12.019 ( 0.000 -3.454 2.152) 4.070 12.126 ( 0.000 0.886 -6.725) 6.783 12.293 ( 0.000 -6.078 0.966) 6.154 12.383 ( 0.000 -1.258 -6.563) 6.683 12.831 ( 0.000 -1.116 3.854) 4.012 12.849 ( 0.000 -0.694 1.906) 2.028 12.903 ( 0.000 -2.260 3.330) 4.024 12.915 ( 0.000 -1.107 2.483) 2.719 13.203 ( 0.000 -3.249 5.350) 6.259 13.280 ( 0.000 -2.275 -1.801) 2.901 13.382 ( 0.000 -4.305 5.363) 6.877 13.465 ( 0.000 -3.395 -3.383) 4.793 13.683 ( 0.000 2.188 1.292) 2.541 13.710 ( 0.000 3.195 -0.987) 3.344 13.869 ( 0.000 -0.575 2.550) 2.614 13.895 ( 0.000 1.923 0.954) 2.146 14.024 ( 0.000 0.307 4.057) 4.069 14.093 ( 0.000 0.402 -2.782) 2.811 14.139 ( 0.000 -3.150 2.295) 3.898 14.182 ( 0.000 -1.170 -3.678) 3.859 15.246 ( 0.000 1.605 7.094) 7.273 15.286 ( 0.000 0.051 -0.511) 0.514 15.334 ( 0.000 -1.397 0.227) 1.415 15.432 ( 0.000 1.165 -6.287) 6.394 16.169 ( 0.000 0.595 1.627) 1.732 16.192 ( 0.000 1.006 -0.807) 1.290 16.235 ( 0.000 -0.998 -1.897) 2.143 16.262 ( 0.000 -0.622 -4.229) 4.274 16.906 ( 0.000 -1.211 1.936) 2.283 16.924 ( 0.000 0.465 2.987) 3.023 16.968 ( 0.000 -1.523 3.441) 3.763 17.077 ( 0.000 -1.073 -5.271) 5.380 17.738 ( 0.000 0.056 13.925) 13.925 17.754 ( 0.000 0.389 12.599) 12.605 17.958 ( 0.000 2.156 -9.200) 9.449 18.069 ( 0.000 0.163 -18.713) 18.714 18.352 ( 0.000 2.710 6.346) 6.901 18.413 ( 0.000 1.509 3.746) 4.038 18.473 ( 0.000 3.384 -6.697) 7.503 18.515 ( 0.000 0.229 -7.249) 7.253 19.710 ( 0.000 5.455 2.648) 6.064 19.728 ( 0.000 6.540 0.325) 6.548 19.874 ( 0.000 3.509 2.306) 4.199 19.911 ( 0.000 5.205 -1.504) 5.418 20.517 ( 0.000 -0.627 2.178) 2.267 20.541 ( 0.000 0.549 -0.574) 0.794 20.681 ( 0.000 0.960 1.485) 1.769 20.702 ( 0.000 -1.116 -0.695) 1.315 21.653 ( 0.000 0.676 2.213) 2.314 21.680 ( 0.000 0.968 -0.491) 1.086 21.735 ( 0.000 -0.682 -0.114) 0.691 21.737 ( 0.000 -0.790 -0.167) 0.808 22.376 ( 0.000 0.883 4.007) 4.103 22.444 ( 0.000 1.038 -3.280) 3.440 22.478 ( 0.000 -1.133 11.542) 11.597 22.502 ( 0.000 -0.604 12.112) 12.127 22.632 ( 0.000 -1.876 5.620) 5.925 22.640 ( 0.000 -0.647 -5.171) 5.211 22.748 ( 0.000 -0.612 -13.321) 13.335 22.802 ( 0.000 -2.353 -11.852) 12.083 23.405 ( 0.000 0.723 1.392) 1.568 23.417 ( 0.000 1.109 -0.015) 1.109 23.555 ( 0.000 0.545 2.711) 2.765 23.593 ( 0.000 0.861 -1.399) 1.642 23.824 ( 0.000 3.070 3.124) 4.380 23.874 ( 0.000 3.077 -2.087) 3.718 23.974 ( 0.000 2.743 1.854) 3.311 24.003 ( 0.000 1.497 -0.862) 1.727 24.078 ( 0.000 0.016 0.313) 0.314 24.089 ( 0.000 0.458 -1.296) 1.374 24.169 ( 0.000 -3.295 0.913) 3.419 24.189 ( 0.000 -2.400 -1.272) 2.716 24.389 ( 0.000 4.501 4.668) 6.485 24.464 ( 0.000 6.448 -1.646) 6.655 24.600 ( 0.000 7.984 4.541) 9.186 24.672 ( 0.000 6.740 -3.029) 7.389 24.759 ( 0.000 2.618 1.711) 3.127 24.813 ( 0.000 2.617 -3.373) 4.269 24.853 ( 0.000 -0.439 2.277) 2.319 24.926 ( 0.000 3.362 -4.703) 5.781 25.416 ( 0.000 2.414 2.851) 3.735 25.457 ( 0.000 2.616 -0.015) 2.616 25.543 ( 0.000 -0.600 4.544) 4.583 25.693 ( 0.000 -1.530 -9.544) 9.666 26.045 ( 0.000 -5.159 2.592) 5.773 26.099 ( 0.000 -5.757 -2.828) 6.414 26.192 ( 0.000 -7.503 2.950) 8.062 26.268 ( 0.000 -8.485 -4.822) 9.759 ======================= Grid point 79 (34/36) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -4.409 0.919 3.451) 5.674 2.227 ( -3.472 -3.146 3.014) 5.570 2.268 ( -2.139 -2.011 -7.818) 8.350 2.354 ( -2.571 -6.056 -7.730) 10.151 2.743 ( 3.302 5.294 8.667) 10.679 2.806 ( 3.152 -1.098 8.787) 9.399 2.889 ( 5.912 10.245 -2.235) 12.038 2.991 ( -0.560 3.547 -4.520) 5.773 3.034 ( 5.769 0.460 4.786) 7.510 3.096 ( 7.291 0.561 5.788) 9.326 3.213 ( 4.611 0.963 6.544) 8.063 3.240 ( -1.672 1.887 1.348) 2.859 3.343 ( -8.317 1.487 -2.279) 8.751 3.384 ( 0.694 0.818 -2.189) 2.437 3.431 ( -0.456 -0.517 -2.483) 2.577 3.503 ( -1.238 0.707 -1.117) 1.811 3.624 ( -4.506 4.192 -1.067) 6.246 3.711 ( -0.897 7.246 0.839) 7.350 3.732 ( -3.488 7.317 -2.206) 8.400 3.787 ( -4.877 2.389 -2.341) 5.913 3.934 ( -0.098 3.439 2.291) 4.133 3.975 ( 2.705 -0.069 -1.102) 2.922 3.993 ( -1.088 0.885 9.336) 9.441 4.104 ( -0.113 -0.865 7.962) 8.010 4.137 ( -3.610 -2.172 4.963) 6.510 4.214 ( 2.443 -1.167 -4.147) 4.952 4.288 ( 0.583 0.308 -2.650) 2.731 4.306 ( -2.240 -2.797 0.030) 3.583 4.389 ( 2.988 0.949 -1.365) 3.419 4.446 ( 0.018 -0.889 4.409) 4.498 4.498 ( 5.717 -0.452 -4.608) 7.357 4.565 ( 5.642 -2.177 -4.544) 7.564 4.616 ( 1.685 1.758 2.857) 3.754 4.660 ( 2.241 -0.056 3.176) 3.887 4.724 ( 0.292 -4.436 1.150) 4.592 4.764 ( -2.173 0.162 -2.968) 3.682 4.829 ( 2.465 0.954 -4.601) 5.307 4.895 ( 1.759 1.927 -7.187) 7.646 4.964 ( -3.599 3.849 1.870) 5.592 4.989 ( -4.379 4.638 0.930) 6.446 5.131 ( 4.997 0.790 5.736) 7.648 5.173 ( 4.890 -2.004 -0.421) 5.302 5.233 ( 1.673 -5.210 -0.253) 5.478 5.284 ( -3.121 -2.167 5.887) 7.007 5.314 ( -5.812 0.039 0.141) 5.814 5.349 ( -2.783 -0.376 -0.520) 2.856 5.390 ( -3.834 -0.953 1.502) 4.226 5.476 ( -3.973 -0.006 -3.920) 5.581 5.540 ( -2.103 -0.901 2.462) 3.360 5.638 ( -0.390 -1.751 -1.853) 2.579 5.674 ( -2.957 -2.690 2.184) 4.555 5.757 ( -1.966 -3.802 -0.622) 4.325 5.842 ( 0.729 -2.916 0.655) 3.077 5.878 ( 0.182 -3.131 2.896) 4.269 5.945 ( -3.355 -2.495 -5.079) 6.578 5.997 ( -0.493 -5.203 -4.795) 7.093 6.073 ( 2.248 -1.502 -0.691) 2.791 6.099 ( 2.665 -1.781 -2.166) 3.869 6.167 ( -1.150 -0.881 -1.131) 1.838 6.223 ( 1.670 1.096 -4.320) 4.759 6.326 ( 4.760 -4.357 2.290) 6.847 6.369 ( 7.238 -2.441 0.764) 7.677 6.438 ( 0.402 -4.253 2.951) 5.192 6.494 ( -1.162 0.030 -1.374) 1.800 6.562 ( 0.663 -2.879 -2.587) 3.927 6.575 ( 3.574 -0.479 -5.032) 6.191 6.629 ( -5.347 -3.544 4.625) 7.908 6.714 ( -3.225 -1.254 -2.185) 4.093 6.790 ( 4.337 -1.157 5.446) 7.057 6.859 ( 1.704 -0.675 -1.134) 2.155 6.912 ( -2.583 -0.089 1.117) 2.815 6.956 ( -3.241 -1.489 -1.996) 4.087 7.176 ( 2.606 2.493 6.783) 7.682 7.204 ( 1.212 0.975 4.814) 5.059 7.263 ( -0.610 0.677 -0.751) 1.181 7.335 ( 0.485 -0.952 -3.722) 3.872 7.369 ( 2.382 -1.176 0.061) 2.658 7.399 ( 3.470 -0.748 -0.443) 3.577 7.462 ( -2.369 -2.150 1.416) 3.499 7.503 ( -0.146 -4.273 -2.071) 4.751 7.616 ( -0.199 -0.459 0.519) 0.721 7.655 ( -0.056 -0.845 0.192) 0.869 7.699 ( 0.380 -1.385 -5.107) 5.305 7.720 ( 0.271 -2.148 -3.986) 4.536 7.832 ( 2.805 0.921 1.329) 3.238 7.885 ( 0.070 3.174 -2.310) 3.926 7.993 ( -4.791 -0.193 1.486) 5.019 8.015 ( -6.982 1.509 -0.976) 7.209 8.211 ( -0.702 2.213 1.894) 2.996 8.269 ( 2.531 3.356 -0.907) 4.301 8.302 ( -0.447 -1.167 1.028) 1.619 8.356 ( 0.331 1.756 -2.233) 2.860 8.492 ( -4.304 2.020 0.165) 4.758 8.541 ( 0.708 1.821 -3.860) 4.326 8.663 ( 3.393 -1.652 1.776) 4.171 8.722 ( 2.753 -0.479 -0.050) 2.794 8.856 ( -0.196 -1.978 0.856) 2.164 8.913 ( -0.790 0.247 4.617) 4.691 8.971 ( -2.003 3.463 -0.844) 4.088 9.052 ( -1.425 -0.141 -2.264) 2.678 9.177 ( 2.918 2.764 3.812) 5.540 9.199 ( 2.850 6.739 3.221) 7.994 9.268 ( -2.679 1.695 2.044) 3.772 9.319 ( -2.969 -1.242 -1.715) 3.647 9.432 ( 4.638 0.294 3.682) 5.929 9.494 ( 4.929 -0.147 1.597) 5.183 9.627 ( -2.562 2.010 -5.831) 6.679 9.650 ( 1.473 0.394 -2.960) 3.329 9.778 ( -3.229 -3.323 7.175) 8.541 9.877 ( 2.698 -4.530 -1.709) 5.543 9.950 ( -3.177 -2.637 -0.692) 4.187 9.998 ( -2.182 -7.268 -6.247) 9.830 10.325 ( 1.419 -8.307 10.139) 13.184 10.394 ( 2.390 -8.111 8.795) 12.200 10.428 ( 0.550 -5.698 10.353) 11.830 10.531 ( -3.742 -3.090 5.709) 7.493 10.705 ( -0.152 -8.963 2.793) 9.389 10.775 ( -6.342 -6.331 -4.384) 9.976 10.898 ( 0.141 -0.873 -15.036) 15.062 10.979 ( -1.690 -0.136 -16.634) 16.720 11.259 ( 6.109 0.265 5.136) 7.985 11.331 ( 1.764 -1.001 0.651) 2.130 11.392 ( 1.785 -1.503 -1.605) 2.832 11.442 ( -3.418 -1.164 -5.969) 6.976 11.668 ( 2.481 -1.619 5.702) 6.426 11.721 ( 1.124 -3.288 3.347) 4.824 11.833 ( 2.039 -3.411 -7.956) 8.893 11.852 ( 1.487 -1.222 -8.821) 9.029 11.990 ( 1.104 -3.512 5.517) 6.632 12.136 ( 1.780 -2.195 -5.003) 5.746 12.213 ( -5.354 -5.708 -4.085) 8.828 12.298 ( -7.523 -2.843 -7.859) 11.245 12.843 ( 2.081 0.673 4.549) 5.047 12.889 ( 3.334 0.334 0.182) 3.355 12.941 ( 0.449 -2.597 3.319) 4.238 12.966 ( 2.306 -2.584 1.019) 3.610 13.187 ( 0.749 -2.277 8.558) 8.887 13.292 ( -2.391 -2.905 3.905) 5.423 13.329 ( 0.470 -3.722 -1.932) 4.220 13.419 ( -4.809 -2.976 -5.669) 8.008 13.717 ( 4.557 1.690 4.941) 6.931 13.780 ( 3.539 1.883 -0.497) 4.040 13.827 ( -3.250 0.049 2.170) 3.908 13.867 ( -2.600 1.187 -0.361) 2.881 14.035 ( 0.622 0.888 3.621) 3.780 14.103 ( 0.721 0.951 -3.803) 3.986 14.124 ( -0.868 -2.495 3.288) 4.217 14.183 ( -0.086 -2.055 -3.494) 4.055 15.253 ( 0.509 0.856 6.134) 6.215 15.281 ( -0.458 -0.407 4.451) 4.493 15.354 ( 1.949 0.270 -4.168) 4.610 15.406 ( -2.275 1.000 -5.895) 6.398 16.178 ( 0.574 0.452 1.063) 1.290 16.200 ( 0.652 0.097 -0.009) 0.659 16.226 ( -0.705 -0.121 -2.610) 2.706 16.252 ( -0.621 -0.685 -3.970) 4.076 16.903 ( 0.477 -0.775 5.386) 5.462 16.931 ( -0.496 -0.605 6.901) 6.945 16.991 ( 2.347 -0.991 -3.148) 4.050 17.049 ( -2.399 -0.960 -4.593) 5.271 17.756 ( 1.210 0.262 11.692) 11.757 17.769 ( 0.892 0.006 11.463) 11.498 17.963 ( 0.837 2.104 -8.804) 9.091 18.014 ( -3.819 1.118 -12.228) 12.859 18.393 ( 2.488 2.013 2.065) 3.809 18.415 ( 0.155 1.766 1.849) 2.561 18.465 ( -0.425 2.824 -5.521) 6.216 18.498 ( -1.374 0.427 -6.851) 7.001 19.738 ( 2.173 6.261 2.215) 6.987 19.760 ( 2.482 6.781 -0.146) 7.223 19.848 ( -2.003 3.146 2.198) 4.329 19.872 ( -2.956 4.475 -0.109) 5.365 20.558 ( 3.533 0.060 1.772) 3.953 20.580 ( 3.484 0.130 -0.520) 3.525 20.641 ( -3.436 0.583 1.404) 3.757 20.662 ( -3.533 -0.726 -0.700) 3.674 21.667 ( 1.241 0.662 2.021) 2.462 21.689 ( 0.614 0.786 0.465) 1.100 21.715 ( -1.441 -0.288 -0.102) 1.473 21.731 ( -0.661 -0.651 -0.957) 1.333 22.422 ( 3.639 0.599 4.870) 6.109 22.465 ( 0.283 0.079 7.935) 7.941 22.493 ( 1.836 -0.673 5.655) 5.984 22.519 ( 2.312 0.009 4.389) 4.960 22.572 ( -4.491 -1.406 5.097) 6.937 22.615 ( -2.766 -0.975 -2.314) 3.736 22.755 ( 0.501 -1.133 -13.029) 13.088 22.780 ( -1.394 -2.053 -12.837) 13.074 23.438 ( 3.005 0.952 1.905) 3.683 23.461 ( 3.685 1.091 -0.642) 3.896 23.519 ( -3.126 0.436 2.472) 4.009 23.552 ( -3.531 0.653 -1.106) 3.758 23.858 ( 3.160 2.916 2.944) 5.211 23.902 ( 2.259 3.010 -1.145) 3.933 23.938 ( -3.016 2.597 1.566) 4.277 23.976 ( -3.001 2.336 -1.857) 4.232 24.070 ( 0.593 -0.031 1.733) 1.832 24.107 ( 0.958 0.090 -2.080) 2.292 24.150 ( -1.362 -2.685 1.426) 3.331 24.177 ( -0.608 -2.183 -1.393) 2.660 24.458 ( 5.301 5.031 3.723) 8.202 24.516 ( 4.460 5.992 -0.983) 7.534 24.561 ( -3.531 6.746 3.627) 8.434 24.620 ( -4.673 5.639 -1.990) 7.589 24.780 ( 1.803 2.255 1.218) 3.134 24.823 ( -0.628 1.700 0.948) 2.045 24.841 ( 0.628 2.525 -2.368) 3.518 24.896 ( -2.400 3.107 -4.010) 5.612 25.438 ( 2.047 2.007 4.165) 5.056 25.484 ( -0.123 1.733 4.602) 4.919 25.533 ( 1.991 0.249 -3.015) 3.622 25.628 ( -5.292 -0.419 -7.576) 9.251 26.087 ( 3.579 -5.907 3.142) 7.588 26.150 ( 1.472 -6.397 -0.383) 6.576 26.168 ( 0.033 -7.318 -0.561) 7.339 26.238 ( -2.903 -8.010 -4.854) 9.805 ======================= Grid point 81 (35/36) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.000 0.000 -4.450) 4.450 2.253 ( 0.000 0.000 -2.878) 2.878 2.293 ( 0.000 0.000 4.298) 4.298 2.358 ( 0.000 0.000 -0.623) 0.623 2.655 ( 0.000 0.000 6.682) 6.682 2.787 ( 0.000 0.000 -6.085) 6.085 2.794 ( 0.000 0.000 1.807) 1.807 2.830 ( 0.000 0.000 -3.173) 3.173 3.060 ( 0.000 0.000 12.315) 12.315 3.142 ( 0.000 0.000 5.452) 5.452 3.231 ( 0.000 -0.000 -1.716) 1.716 3.308 ( 0.000 0.000 -11.371) 11.371 3.396 ( 0.000 0.000 5.325) 5.325 3.411 ( 0.000 0.000 5.403) 5.403 3.486 ( 0.000 0.000 -0.550) 0.550 3.534 ( 0.000 0.000 -5.957) 5.957 3.710 ( 0.000 0.000 10.635) 10.635 3.767 ( 0.000 0.000 -2.357) 2.357 3.780 ( 0.000 0.000 -3.624) 3.624 3.832 ( 0.000 0.000 -1.266) 1.266 3.980 ( 0.000 0.000 5.583) 5.583 4.011 ( 0.000 0.000 3.268) 3.268 4.085 ( 0.000 0.000 9.119) 9.119 4.101 ( 0.000 0.000 6.214) 6.214 4.183 ( 0.000 0.000 2.670) 2.670 4.200 ( 0.000 0.000 3.752) 3.752 4.210 ( 0.000 0.000 -4.924) 4.924 4.282 ( 0.000 -0.000 -4.065) 4.065 4.321 ( 0.000 -0.000 0.501) 0.501 4.329 ( 0.000 0.000 -3.177) 3.177 4.411 ( 0.000 -0.000 -7.946) 7.946 4.445 ( 0.000 0.000 1.748) 1.748 4.585 ( 0.000 0.000 4.720) 4.720 4.685 ( 0.000 0.000 -2.345) 2.345 4.764 ( 0.000 0.000 -3.354) 3.354 4.852 ( 0.000 -0.000 -3.798) 3.798 4.932 ( 0.000 0.000 -1.380) 1.380 4.932 ( 0.000 -0.000 -5.117) 5.117 4.951 ( 0.000 0.000 8.238) 8.238 4.970 ( 0.000 -0.000 -8.494) 8.494 5.046 ( 0.000 0.000 13.824) 13.824 5.146 ( 0.000 0.000 1.967) 1.967 5.208 ( 0.000 0.000 -1.254) 1.254 5.290 ( 0.000 0.000 -0.293) 0.293 5.323 ( 0.000 0.000 2.590) 2.590 5.362 ( 0.000 -0.000 7.855) 7.855 5.458 ( 0.000 0.000 -12.505) 12.505 5.499 ( 0.000 0.000 -3.736) 3.736 5.667 ( 0.000 -0.000 4.369) 4.369 5.683 ( 0.000 0.000 3.874) 3.874 5.729 ( 0.000 0.000 1.747) 1.747 5.735 ( 0.000 0.000 1.961) 1.961 5.789 ( 0.000 0.000 -1.667) 1.667 5.812 ( 0.000 0.000 -0.476) 0.476 5.891 ( 0.000 0.000 4.689) 4.689 5.953 ( 0.000 0.000 -0.969) 0.969 6.015 ( 0.000 0.000 -1.113) 1.113 6.047 ( 0.000 -0.000 -3.666) 3.666 6.084 ( 0.000 0.000 -7.884) 7.884 6.137 ( 0.000 0.000 -11.353) 11.353 6.291 ( 0.000 0.000 0.100) 0.100 6.324 ( 0.000 0.000 1.306) 1.306 6.349 ( 0.000 -0.000 -4.332) 4.332 6.391 ( 0.000 0.000 -4.473) 4.473 6.588 ( 0.000 0.000 2.829) 2.829 6.593 ( 0.000 -0.000 1.949) 1.949 6.618 ( 0.000 0.000 4.557) 4.557 6.646 ( 0.000 0.000 0.031) 0.031 6.834 ( 0.000 0.000 7.457) 7.457 6.925 ( 0.000 0.000 -1.933) 1.933 6.936 ( 0.000 0.000 0.218) 0.218 6.950 ( 0.000 0.000 -1.376) 1.376 7.194 ( 0.000 0.000 8.114) 8.114 7.195 ( 0.000 0.000 9.860) 9.860 7.255 ( 0.000 0.000 0.289) 0.289 7.314 ( 0.000 0.000 -1.851) 1.851 7.327 ( 0.000 -0.000 -2.589) 2.589 7.397 ( 0.000 0.000 -6.674) 6.674 7.402 ( 0.000 0.000 -2.176) 2.176 7.410 ( 0.000 -0.000 -3.555) 3.555 7.606 ( 0.000 0.000 -7.423) 7.423 7.621 ( 0.000 0.000 -6.224) 6.224 7.662 ( 0.000 0.000 2.212) 2.212 7.699 ( 0.000 0.000 -1.435) 1.435 7.901 ( 0.000 0.000 7.614) 7.614 7.975 ( 0.000 0.000 0.918) 0.918 8.033 ( 0.000 0.000 2.710) 2.710 8.059 ( 0.000 0.000 -0.003) 0.003 8.308 ( 0.000 0.000 1.480) 1.480 8.319 ( 0.000 0.000 0.996) 0.996 8.361 ( 0.000 -0.000 0.867) 0.867 8.370 ( 0.000 0.000 4.949) 4.949 8.474 ( 0.000 0.000 -2.256) 2.256 8.555 ( 0.000 0.000 -2.426) 2.426 8.559 ( 0.000 -0.000 -6.804) 6.804 8.631 ( 0.000 0.000 -10.533) 10.533 8.943 ( 0.000 0.000 8.512) 8.512 9.029 ( 0.000 0.000 4.750) 4.750 9.032 ( 0.000 0.000 5.620) 5.620 9.047 ( 0.000 -0.000 -0.737) 0.737 9.241 ( 0.000 0.000 6.234) 6.234 9.250 ( 0.000 -0.000 -3.022) 3.022 9.286 ( 0.000 0.000 2.044) 2.044 9.303 ( 0.000 0.000 -6.248) 6.248 9.435 ( 0.000 0.000 6.439) 6.439 9.477 ( 0.000 0.000 4.593) 4.593 9.526 ( 0.000 -0.000 -0.973) 0.973 9.623 ( 0.000 0.000 -5.933) 5.933 9.727 ( 0.000 0.000 1.966) 1.966 9.803 ( 0.000 0.000 -6.063) 6.063 9.939 ( 0.000 0.000 -7.113) 7.113 9.944 ( 0.000 0.000 -2.390) 2.390 10.255 ( 0.000 0.000 7.039) 7.039 10.264 ( 0.000 0.000 11.307) 11.307 10.323 ( 0.000 0.000 12.541) 12.541 10.565 ( 0.000 0.000 -3.883) 3.883 10.597 ( 0.000 0.000 7.876) 7.876 10.810 ( 0.000 0.000 3.989) 3.989 10.978 ( 0.000 0.000 -7.279) 7.279 10.989 ( 0.000 0.000 -20.328) 20.328 11.167 ( 0.000 0.000 3.074) 3.074 11.312 ( 0.000 0.000 2.433) 2.433 11.322 ( 0.000 0.000 -0.478) 0.478 11.340 ( 0.000 0.000 -10.396) 10.396 11.605 ( 0.000 0.000 2.690) 2.690 11.729 ( 0.000 0.000 1.710) 1.710 11.770 ( 0.000 0.000 -12.360) 12.360 11.820 ( 0.000 0.000 -6.879) 6.879 11.971 ( 0.000 0.000 5.989) 5.989 12.140 ( 0.000 0.000 -11.958) 11.958 12.227 ( 0.000 0.000 6.074) 6.074 12.369 ( 0.000 0.000 -8.477) 8.477 12.823 ( 0.000 0.000 4.536) 4.536 12.850 ( 0.000 0.000 1.637) 1.637 12.875 ( 0.000 0.000 4.378) 4.378 12.907 ( 0.000 0.000 1.795) 1.795 13.169 ( 0.000 0.000 5.176) 5.176 13.256 ( 0.000 0.000 -2.814) 2.814 13.339 ( 0.000 0.000 5.483) 5.483 13.429 ( 0.000 0.000 -4.119) 4.119 13.705 ( 0.000 0.000 1.832) 1.832 13.746 ( 0.000 0.000 -1.876) 1.876 13.864 ( 0.000 0.000 5.079) 5.079 13.918 ( 0.000 0.000 0.779) 0.779 14.034 ( 0.000 0.000 3.792) 3.792 14.097 ( 0.000 0.000 -2.880) 2.880 14.100 ( 0.000 0.000 3.687) 3.687 14.169 ( 0.000 0.000 -4.969) 4.969 15.270 ( 0.000 0.000 10.542) 10.542 15.286 ( 0.000 0.000 0.126) 0.126 15.313 ( 0.000 0.000 -2.324) 2.324 15.445 ( 0.000 0.000 -7.158) 7.158 16.177 ( 0.000 0.000 2.832) 2.832 16.204 ( 0.000 0.000 -0.177) 0.177 16.224 ( 0.000 0.000 -2.835) 2.835 16.254 ( 0.000 0.000 -5.349) 5.349 16.895 ( 0.000 0.000 2.570) 2.570 16.939 ( 0.000 -0.000 -2.029) 2.029 16.944 ( 0.000 0.000 7.936) 7.936 17.066 ( 0.000 0.000 -5.140) 5.140 17.738 ( 0.000 0.000 14.800) 14.800 17.756 ( 0.000 0.000 12.290) 12.290 17.978 ( 0.000 0.000 -9.933) 9.933 18.069 ( 0.000 0.000 -19.332) 19.332 18.382 ( 0.000 0.000 6.608) 6.608 18.429 ( 0.000 0.000 3.379) 3.379 18.511 ( 0.000 0.000 -5.679) 5.679 18.518 ( 0.000 0.000 -7.752) 7.752 19.766 ( 0.000 0.000 3.613) 3.613 19.796 ( 0.000 0.000 0.045) 0.045 19.906 ( 0.000 0.000 2.706) 2.706 19.961 ( 0.000 0.000 -2.862) 2.862 20.508 ( 0.000 0.000 2.969) 2.969 20.545 ( 0.000 0.000 -1.071) 1.071 20.688 ( 0.000 0.000 0.455) 0.455 20.690 ( 0.000 0.000 0.242) 0.242 21.660 ( 0.000 0.000 2.131) 2.131 21.692 ( 0.000 0.000 -1.146) 1.146 21.727 ( 0.000 0.000 0.426) 0.426 21.730 ( 0.000 0.000 0.163) 0.163 22.385 ( 0.000 0.000 4.204) 4.204 22.455 ( 0.000 0.000 -3.358) 3.358 22.468 ( 0.000 0.000 11.507) 11.507 22.497 ( 0.000 0.000 11.852) 11.852 22.614 ( 0.000 0.000 5.469) 5.469 22.635 ( 0.000 0.000 -5.596) 5.596 22.743 ( 0.000 0.000 -13.301) 13.301 22.777 ( 0.000 0.000 -11.753) 11.753 23.411 ( 0.000 0.000 1.521) 1.521 23.426 ( 0.000 0.000 -0.257) 0.257 23.558 ( 0.000 0.000 2.944) 2.944 23.599 ( 0.000 0.000 -1.537) 1.537 23.857 ( 0.000 0.000 3.015) 3.015 23.908 ( 0.000 0.000 -2.309) 2.309 23.997 ( 0.000 0.000 1.265) 1.265 24.007 ( 0.000 0.000 0.166) 0.166 24.083 ( 0.000 0.000 0.059) 0.059 24.097 ( 0.000 0.000 -1.671) 1.671 24.120 ( 0.000 0.000 1.950) 1.950 24.156 ( 0.000 0.000 -1.917) 1.917 24.442 ( 0.000 0.000 5.011) 5.011 24.533 ( 0.000 0.000 -3.120) 3.120 24.686 ( 0.000 0.000 4.490) 4.490 24.735 ( 0.000 0.000 -1.239) 1.239 24.793 ( 0.000 0.000 0.806) 0.806 24.845 ( 0.000 0.000 -3.862) 3.862 24.849 ( 0.000 0.000 4.984) 4.984 24.972 ( 0.000 0.000 -6.801) 6.801 25.442 ( 0.000 0.000 2.743) 2.743 25.492 ( 0.000 0.000 -2.393) 2.393 25.530 ( 0.000 0.000 6.623) 6.623 25.675 ( 0.000 0.000 -8.304) 8.304 25.991 ( 0.000 0.000 2.176) 2.176 26.038 ( 0.000 0.000 -2.611) 2.611 26.114 ( 0.000 0.000 2.646) 2.646 26.180 ( 0.000 0.000 -4.180) 4.180 ======================= Grid point 83 (36/36) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -4.201 0.000 0.622) 4.247 2.171 ( -5.841 -0.000 4.713) 7.505 2.239 ( -0.183 0.000 -6.191) 6.194 2.298 ( -5.467 0.000 -6.874) 8.783 2.766 ( 7.599 0.000 10.035) 12.588 2.806 ( 2.995 0.000 9.730) 10.180 2.958 ( 11.176 0.000 -7.894) 13.683 2.987 ( 7.260 0.000 -7.996) 10.800 3.061 ( 1.152 -0.000 10.760) 10.821 3.145 ( -4.133 -0.000 10.622) 11.397 3.219 ( 2.432 0.000 5.687) 6.185 3.280 ( -2.659 0.000 -8.911) 9.299 3.370 ( -2.882 -0.000 -1.406) 3.207 3.373 ( -6.714 0.000 2.803) 7.276 3.435 ( 0.325 0.000 -7.363) 7.370 3.479 ( -4.002 0.000 -6.378) 7.529 3.724 ( -1.769 0.001 -1.009) 2.036 3.727 ( 0.500 -0.001 6.164) 6.184 3.765 ( 0.558 0.000 -3.450) 3.494 3.820 ( -3.453 0.000 -2.299) 4.149 3.996 ( 0.275 0.000 7.054) 7.059 4.005 ( -1.987 -0.000 6.621) 6.913 4.019 ( 3.268 0.000 3.279) 4.629 4.098 ( -4.756 0.000 -1.775) 5.077 4.127 ( 5.123 0.000 6.340) 8.151 4.201 ( 1.013 0.000 4.213) 4.333 4.245 ( -3.216 -0.000 7.680) 8.327 4.275 ( -6.671 0.000 2.440) 7.104 4.387 ( 6.636 0.000 -2.471) 7.081 4.417 ( 9.205 0.000 -4.528) 10.259 4.496 ( 4.298 0.000 -5.375) 6.883 4.536 ( 3.942 0.000 -7.513) 8.485 4.614 ( 3.617 0.000 3.698) 5.173 4.678 ( 0.640 0.000 4.285) 4.332 4.687 ( -5.072 0.000 2.105) 5.492 4.796 ( -7.172 0.000 -1.716) 7.374 4.885 ( -0.679 -0.000 -1.260) 1.432 4.912 ( -2.050 0.000 -3.987) 4.483 4.994 ( 1.306 0.000 -9.453) 9.543 4.996 ( 1.213 -0.000 -7.426) 7.524 5.127 ( 6.701 0.000 16.470) 17.781 5.185 ( 2.496 0.000 2.151) 3.295 5.214 ( 2.740 0.000 -0.595) 2.804 5.265 ( -3.125 0.000 3.307) 4.550 5.291 ( -4.470 0.000 12.346) 13.130 5.318 ( 0.856 0.000 -0.322) 0.915 5.401 ( -4.039 0.000 -6.834) 7.938 5.495 ( -5.366 0.000 -7.789) 9.459 5.584 ( -1.286 -0.000 3.205) 3.454 5.622 ( -4.871 0.000 2.050) 5.285 5.662 ( -1.749 0.000 -1.822) 2.526 5.693 ( -2.215 0.000 -4.368) 4.898 5.784 ( 0.582 0.000 1.200) 1.334 5.828 ( -3.594 0.000 -0.353) 3.612 5.846 ( 1.595 -0.000 -5.360) 5.593 5.912 ( -4.535 0.000 -7.247) 8.549 6.063 ( 3.384 0.000 3.851) 5.126 6.099 ( 0.080 0.000 3.379) 3.380 6.155 ( 4.747 -0.000 -0.724) 4.802 6.170 ( 3.997 0.000 -6.162) 7.345 6.328 ( 3.114 0.000 0.960) 3.259 6.359 ( 1.314 0.000 1.493) 1.989 6.410 ( 3.135 0.000 -5.127) 6.010 6.423 ( 2.401 -0.000 -5.157) 5.688 6.588 ( -1.296 -0.001 4.223) 4.417 6.588 ( -0.102 0.002 3.050) 3.052 6.622 ( -1.282 -0.000 0.859) 1.544 6.623 ( 1.057 0.000 -0.817) 1.336 6.847 ( 0.322 0.000 4.919) 4.930 6.872 ( -3.918 0.000 2.707) 4.762 6.907 ( -1.364 0.000 -1.378) 1.939 6.909 ( -2.156 -0.000 -1.674) 2.730 7.217 ( 1.676 -0.000 6.814) 7.017 7.220 ( 1.538 0.000 6.971) 7.139 7.287 ( 1.580 0.000 -0.059) 1.581 7.315 ( -1.292 0.000 -1.811) 2.225 7.359 ( 3.526 0.000 0.663) 3.588 7.396 ( -0.153 0.000 1.080) 1.091 7.440 ( 3.525 0.000 -5.923) 6.893 7.458 ( 2.356 0.000 -4.405) 4.996 7.628 ( 1.586 0.000 -1.514) 2.192 7.643 ( -1.064 0.000 1.875) 2.156 7.683 ( 2.513 -0.000 -7.086) 7.518 7.688 ( -0.374 0.000 -2.302) 2.333 7.859 ( 0.344 0.000 4.784) 4.797 7.953 ( -0.007 0.000 -3.218) 3.218 7.962 ( -6.645 0.000 2.930) 7.262 8.033 ( -4.033 0.000 -3.427) 5.292 8.253 ( -2.895 0.000 4.960) 5.743 8.261 ( -2.695 -0.000 3.108) 4.113 8.332 ( 0.003 0.000 -3.281) 3.281 8.365 ( -2.674 0.000 -5.266) 5.906 8.562 ( 2.795 0.000 1.801) 3.325 8.573 ( 5.026 -0.000 2.175) 5.476 8.636 ( 4.704 -0.000 -2.100) 5.151 8.674 ( 2.601 0.000 -9.179) 9.541 8.865 ( -4.023 0.000 7.336) 8.367 8.893 ( -7.386 0.000 8.555) 11.302 9.015 ( -2.317 0.000 -6.072) 6.499 9.031 ( -2.966 0.000 -3.382) 4.498 9.243 ( 0.332 -0.000 6.223) 6.232 9.248 ( 0.237 0.000 1.308) 1.330 9.297 ( 0.687 0.000 -1.965) 2.081 9.312 ( 0.419 0.000 -1.003) 1.087 9.489 ( 2.715 0.000 6.802) 7.324 9.497 ( 2.235 -0.000 10.248) 10.489 9.613 ( 7.846 -0.000 -3.508) 8.594 9.693 ( 1.904 0.000 -3.720) 4.179 9.727 ( 1.056 -0.000 4.047) 4.182 9.826 ( -7.529 0.000 -2.200) 7.844 9.856 ( 2.941 0.000 -6.950) 7.546 9.900 ( -3.564 0.000 -6.767) 7.648 10.237 ( 1.901 0.000 11.784) 11.936 10.305 ( -2.800 0.000 12.296) 12.611 10.364 ( 6.276 0.000 3.650) 7.260 10.493 ( -6.367 0.000 2.473) 6.831 10.604 ( 1.901 0.000 6.057) 6.349 10.707 ( -7.537 0.000 0.420) 7.549 10.922 ( -1.482 0.000 -15.333) 15.405 10.955 ( -3.330 0.000 -22.835) 23.076 11.255 ( 8.081 0.000 7.330) 10.910 11.325 ( 2.155 0.000 5.739) 6.131 11.398 ( 2.843 0.000 -8.081) 8.566 11.418 ( 1.642 0.000 -4.903) 5.170 11.650 ( 2.693 0.000 6.069) 6.639 11.693 ( -2.609 0.000 4.335) 5.059 11.818 ( 0.305 0.000 -8.019) 8.024 11.827 ( 1.395 0.000 -10.881) 10.970 11.944 ( 4.134 0.000 7.750) 8.784 12.126 ( -9.356 0.000 5.161) 10.685 12.148 ( 2.302 -0.000 -13.099) 13.299 12.270 ( -8.111 0.000 -9.346) 12.375 12.862 ( 3.116 0.000 4.549) 5.514 12.901 ( 0.182 -0.000 4.021) 4.025 12.902 ( 3.897 0.000 0.242) 3.905 12.938 ( 1.463 0.000 0.407) 1.519 13.165 ( 1.528 0.000 7.838) 7.985 13.261 ( -6.278 0.000 7.162) 9.524 13.293 ( 3.766 0.000 -5.148) 6.378 13.387 ( -4.426 0.000 -6.192) 7.612 13.735 ( 3.822 0.000 5.023) 6.312 13.808 ( 4.219 0.000 -2.287) 4.799 13.823 ( -3.922 0.000 5.297) 6.591 13.883 ( -3.084 0.000 -0.283) 3.097 14.054 ( 1.769 0.000 3.736) 4.133 14.088 ( -1.265 0.000 3.598) 3.814 14.120 ( 1.911 0.000 -3.502) 3.989 14.156 ( -1.372 0.000 -4.448) 4.655 15.268 ( -0.103 0.000 8.518) 8.519 15.271 ( -0.529 0.000 3.813) 3.850 15.356 ( 3.145 0.000 -4.530) 5.515 15.417 ( -2.573 0.000 -6.441) 6.936 16.184 ( 0.674 0.000 1.832) 1.952 16.198 ( -0.589 0.000 0.301) 0.662 16.228 ( 0.522 0.000 -3.287) 3.329 16.244 ( -0.877 0.000 -4.603) 4.686 16.896 ( 0.864 0.000 5.380) 5.449 16.926 ( -1.601 0.000 7.529) 7.697 16.981 ( 3.102 0.000 -3.718) 4.842 17.039 ( -2.435 0.000 -4.584) 5.191 17.759 ( 1.377 0.000 12.590) 12.665 17.766 ( 0.595 0.000 11.550) 11.565 17.982 ( 0.754 0.000 -9.786) 9.815 18.023 ( -3.240 0.000 -13.445) 13.830 18.415 ( 2.201 0.000 2.271) 3.163 18.433 ( 0.248 0.000 1.871) 1.887 18.499 ( -0.856 0.000 -5.403) 5.471 18.502 ( -1.160 0.000 -6.227) 6.334 19.804 ( 3.405 0.000 3.041) 4.565 19.832 ( 3.372 0.000 -0.130) 3.374 19.874 ( -3.001 0.000 2.487) 3.898 19.913 ( -4.123 0.000 -1.389) 4.350 20.554 ( 4.108 0.000 2.118) 4.622 20.583 ( 3.390 0.000 -0.867) 3.500 20.642 ( -3.974 0.000 1.102) 4.124 20.656 ( -3.296 0.000 -0.362) 3.316 21.675 ( 1.397 0.000 1.862) 2.328 21.703 ( 0.961 0.000 -0.985) 1.376 21.707 ( -1.580 0.000 1.140) 1.949 21.723 ( -0.847 0.000 -0.457) 0.962 22.428 ( 3.518 0.000 5.502) 6.531 22.465 ( -0.389 0.000 10.783) 10.790 22.486 ( 1.960 0.000 4.877) 5.256 22.523 ( 3.571 0.000 2.395) 4.300 22.557 ( -4.581 0.000 4.702) 6.565 22.606 ( -3.375 0.000 -3.111) 4.590 22.745 ( 0.270 0.000 -13.272) 13.275 22.759 ( -1.194 0.000 -12.758) 12.814 23.446 ( 3.307 0.000 1.991) 3.860 23.471 ( 3.954 0.000 -0.747) 4.024 23.520 ( -3.397 0.000 2.618) 4.288 23.556 ( -3.863 0.000 -1.298) 4.075 23.888 ( 3.017 0.000 2.846) 4.148 23.935 ( 2.569 0.000 -2.066) 3.297 23.960 ( -3.414 0.000 2.203) 4.063 23.994 ( -2.595 0.000 -1.487) 2.991 24.074 ( 1.070 0.000 1.805) 2.098 24.106 ( -1.362 0.000 1.930) 2.362 24.112 ( 1.417 0.000 -2.166) 2.588 24.143 ( -1.295 0.000 -1.995) 2.379 24.512 ( 5.906 0.000 3.817) 7.032 24.582 ( 4.298 0.000 -2.158) 4.809 24.630 ( -5.033 0.000 3.307) 6.022 24.679 ( -4.812 0.000 -1.279) 4.979 24.807 ( 1.393 0.000 2.322) 2.708 24.835 ( -1.246 0.000 4.085) 4.271 24.881 ( 2.827 0.000 -4.265) 5.117 24.941 ( -2.776 0.000 -5.789) 6.420 25.460 ( 1.743 0.000 3.768) 4.152 25.503 ( -2.229 0.000 5.623) 6.049 25.534 ( 3.835 0.000 -3.886) 5.460 25.623 ( -4.406 0.000 -6.639) 7.968 26.025 ( 3.063 0.000 2.783) 4.138 26.087 ( -2.603 -0.000 2.839) 3.852 26.088 ( 3.849 0.000 -3.740) 5.366 26.155 ( -2.495 0.000 -4.256) 4.934 =================== 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 3/32400 10.0 916.088 1314.519 1598.900 0.000 0.000 0.000 3/32400 20.0 146.810 207.973 188.282 0.000 0.000 0.000 3/32400 30.0 43.683 61.193 51.794 0.000 0.000 0.000 3/32400 40.0 20.086 28.502 23.571 0.000 0.000 0.000 3/32400 50.0 11.796 16.812 13.816 0.000 0.000 0.000 3/32400 60.0 7.989 11.376 9.355 0.000 0.000 0.000 3/32400 70.0 5.923 8.408 6.937 0.000 0.000 0.000 3/32400 80.0 4.665 6.601 5.470 0.000 0.000 0.000 3/32400 90.0 3.836 5.411 4.505 0.000 0.000 0.000 3/32400 100.0 3.255 4.579 3.830 0.000 0.000 0.000 3/32400 110.0 2.828 3.969 3.335 0.000 0.000 0.000 3/32400 120.0 2.502 3.505 2.958 0.000 0.000 0.000 3/32400 130.0 2.246 3.142 2.663 0.000 0.000 0.000 3/32400 140.0 2.040 2.850 2.425 0.000 0.000 0.000 3/32400 150.0 1.870 2.610 2.230 0.000 0.000 0.000 3/32400 160.0 1.728 2.411 2.067 0.000 0.000 0.000 3/32400 170.0 1.607 2.242 1.928 0.000 0.000 0.000 3/32400 180.0 1.504 2.098 1.809 0.000 0.000 0.000 3/32400 190.0 1.413 1.972 1.706 0.000 0.000 0.000 3/32400 200.0 1.334 1.863 1.615 0.000 0.000 0.000 3/32400 210.0 1.264 1.766 1.535 0.000 0.000 0.000 3/32400 220.0 1.202 1.680 1.463 0.000 0.000 0.000 3/32400 230.0 1.146 1.603 1.398 0.000 0.000 0.000 3/32400 240.0 1.095 1.534 1.340 0.000 0.000 0.000 3/32400 250.0 1.049 1.471 1.287 0.000 0.000 0.000 3/32400 260.0 1.007 1.414 1.238 0.000 0.000 0.000 3/32400 270.0 0.969 1.361 1.194 0.000 0.000 0.000 3/32400 280.0 0.933 1.313 1.152 0.000 0.000 0.000 3/32400 290.0 0.900 1.269 1.114 0.000 0.000 0.000 3/32400 300.0 0.870 1.227 1.079 0.000 0.000 0.000 3/32400 310.0 0.842 1.189 1.046 0.000 0.000 0.000 3/32400 320.0 0.815 1.153 1.015 0.000 0.000 0.000 3/32400 330.0 0.791 1.120 0.986 0.000 0.000 0.000 3/32400 340.0 0.768 1.088 0.958 0.000 0.000 0.000 3/32400 350.0 0.746 1.059 0.933 0.000 0.000 0.000 3/32400 360.0 0.725 1.031 0.908 0.000 0.000 0.000 3/32400 370.0 0.706 1.004 0.885 0.000 0.000 0.000 3/32400 380.0 0.688 0.979 0.864 0.000 0.000 0.000 3/32400 390.0 0.670 0.956 0.843 0.000 0.000 0.000 3/32400 400.0 0.654 0.933 0.823 0.000 0.000 0.000 3/32400 410.0 0.638 0.912 0.804 0.000 0.000 0.000 3/32400 420.0 0.623 0.891 0.786 0.000 0.000 0.000 3/32400 430.0 0.609 0.872 0.769 0.000 0.000 0.000 3/32400 440.0 0.596 0.853 0.753 0.000 0.000 0.000 3/32400 450.0 0.583 0.836 0.737 0.000 0.000 0.000 3/32400 460.0 0.570 0.818 0.722 0.000 0.000 0.000 3/32400 470.0 0.559 0.802 0.708 0.000 0.000 0.000 3/32400 480.0 0.547 0.786 0.694 0.000 0.000 0.000 3/32400 490.0 0.536 0.771 0.681 0.000 0.000 0.000 3/32400 500.0 0.526 0.757 0.668 0.000 0.000 0.000 3/32400 510.0 0.516 0.743 0.656 0.000 0.000 0.000 3/32400 520.0 0.506 0.729 0.644 0.000 0.000 0.000 3/32400 530.0 0.497 0.716 0.632 0.000 0.000 0.000 3/32400 540.0 0.488 0.704 0.621 0.000 0.000 0.000 3/32400 550.0 0.479 0.692 0.611 0.000 0.000 0.000 3/32400 560.0 0.471 0.680 0.600 0.000 0.000 0.000 3/32400 570.0 0.463 0.669 0.590 0.000 0.000 0.000 3/32400 580.0 0.455 0.658 0.581 0.000 0.000 0.000 3/32400 590.0 0.448 0.647 0.571 0.000 0.000 0.000 3/32400 600.0 0.440 0.637 0.562 0.000 0.000 0.000 3/32400 610.0 0.433 0.627 0.554 0.000 0.000 0.000 3/32400 620.0 0.426 0.618 0.545 0.000 0.000 0.000 3/32400 630.0 0.420 0.608 0.537 0.000 0.000 0.000 3/32400 640.0 0.413 0.599 0.529 0.000 0.000 0.000 3/32400 650.0 0.407 0.591 0.521 0.000 0.000 0.000 3/32400 660.0 0.401 0.582 0.513 0.000 0.000 0.000 3/32400 670.0 0.395 0.574 0.506 0.000 0.000 0.000 3/32400 680.0 0.390 0.566 0.499 0.000 0.000 0.000 3/32400 690.0 0.384 0.558 0.492 0.000 0.000 0.000 3/32400 700.0 0.379 0.550 0.485 0.000 0.000 0.000 3/32400 710.0 0.374 0.543 0.479 0.000 0.000 0.000 3/32400 720.0 0.368 0.536 0.472 0.000 0.000 0.000 3/32400 730.0 0.363 0.529 0.466 0.000 0.000 0.000 3/32400 740.0 0.359 0.522 0.460 0.000 0.000 0.000 3/32400 750.0 0.354 0.515 0.454 0.000 0.000 0.000 3/32400 760.0 0.349 0.509 0.449 0.000 0.000 0.000 3/32400 770.0 0.345 0.502 0.443 0.000 0.000 0.000 3/32400 780.0 0.341 0.496 0.437 0.000 0.000 0.000 3/32400 790.0 0.336 0.490 0.432 0.000 0.000 0.000 3/32400 800.0 0.332 0.484 0.427 0.000 0.000 0.000 3/32400 810.0 0.328 0.478 0.422 0.000 0.000 0.000 3/32400 820.0 0.324 0.473 0.417 0.000 0.000 0.000 3/32400 830.0 0.320 0.467 0.412 0.000 0.000 0.000 3/32400 840.0 0.317 0.462 0.407 0.000 0.000 0.000 3/32400 850.0 0.313 0.457 0.403 0.000 0.000 0.000 3/32400 860.0 0.310 0.452 0.398 0.000 0.000 0.000 3/32400 870.0 0.306 0.446 0.394 0.000 0.000 0.000 3/32400 880.0 0.303 0.442 0.389 0.000 0.000 0.000 3/32400 890.0 0.299 0.437 0.385 0.000 0.000 0.000 3/32400 900.0 0.296 0.432 0.381 0.000 0.000 0.000 3/32400 910.0 0.293 0.427 0.377 0.000 0.000 0.000 3/32400 920.0 0.290 0.423 0.373 0.000 0.000 0.000 3/32400 930.0 0.287 0.419 0.369 0.000 0.000 0.000 3/32400 940.0 0.284 0.414 0.365 0.000 0.000 0.000 3/32400 950.0 0.281 0.410 0.361 0.000 0.000 0.000 3/32400 960.0 0.278 0.406 0.358 0.000 0.000 0.000 3/32400 970.0 0.275 0.402 0.354 0.000 0.000 0.000 3/32400 980.0 0.272 0.398 0.351 0.000 0.000 0.000 3/32400 990.0 0.269 0.394 0.347 0.000 0.000 0.000 3/32400 1000.0 0.267 0.390 0.344 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m3105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:32:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|